Sample records for e2 phonon frequency

  1. Coherent Phonon Rabi Oscillations with a High-Frequency Carbon Nanotube Phonon Cavity.

    PubMed

    Zhu, Dong; Wang, Xin-He; Kong, Wei-Cheng; Deng, Guang-Wei; Wang, Jiang-Tao; Li, Hai-Ou; Cao, Gang; Xiao, Ming; Jiang, Kai-Li; Dai, Xing-Can; Guo, Guang-Can; Nori, Franco; Guo, Guo-Ping

    2017-02-08

    Phonon-cavity electromechanics allows the manipulation of mechanical oscillations similar to photon-cavity systems. Many advances on this subject have been achieved in various materials. In addition, the coherent phonon transfer (phonon Rabi oscillations) between the phonon cavity mode and another oscillation mode has attracted many interest in nanoscience. Here, we demonstrate coherent phonon transfer in a carbon nanotube phonon-cavity system with two mechanical modes exhibiting strong dynamical coupling. The gate-tunable phonon oscillation modes are manipulated and detected by extending the red-detuned pump idea of photonic cavity electromechanics. The first- and second-order coherent phonon transfers are observed with Rabi frequencies 591 and 125 kHz, respectively. The frequency quality factor product fQ m ∼ 2 × 10 12 Hz achieved here is larger than k B T base /h, which may enable the future realization of Rabi oscillations in the quantum regime.

  2. Defect-mediated phonon dynamics in TaS2 and WSe2

    PubMed Central

    Cremons, Daniel R.; Plemmons, Dayne A.; Flannigan, David J.

    2017-01-01

    We report correlative crystallographic and morphological studies of defect-dependent phonon dynamics in single flakes of 1T-TaS2 and 2H-WSe2 using selected-area diffraction and bright-field imaging in an ultrafast electron microscope. In both materials, we observe in-plane speed-of-sound acoustic-phonon wave trains, the dynamics of which (i.e., emergence, propagation, and interference) are strongly dependent upon discrete interfacial features (e.g., vacuum/crystal and crystal/crystal interfaces). In TaS2, we observe cross-propagating in-plane acoustic-phonon wave trains of differing frequencies that undergo coherent interference approximately 200 ps after initial emergence from distinct interfacial regions. With ultrafast bright-field imaging, the properties of the interfering wave trains are observed to correspond to the beat frequency of the individual oscillations, while intensity oscillations of Bragg spots generated from selected areas within the region of interest match well with the real-space dynamics. In WSe2, distinct acoustic-phonon dynamics are observed emanating and propagating away from structurally dissimilar morphological discontinuities (vacuum/crystal interface and crystal terrace), and results of ultrafast selected-area diffraction reveal thickness-dependent phonon frequencies. The overall observed dynamics are well-described using finite element analysis and time-dependent linear-elastic continuum mechanics. PMID:28503630

  3. Phonon renormalization and anharmonicity in Al-doped MgB2

    NASA Astrophysics Data System (ADS)

    Ortiz, Filiberto; Aguayo, Aarón

    2005-03-01

    We have studied the evolution of the E2g phonon mode dynamics in Mg1-xAlxB2 as a function of doping using the Frozen Phonon Approximation (FPA). The doping was modeled in the ab-initio Virtual Crystal Approximation (VCA). The results were obtained by means of first-principles total-energy calculations using the full potential Linearized Augmented Plane Wave (LAPW) method and the Generalized Gradient Approximation (GGA) for the exchange-correlation potential. We present results for the evolution of the phonon frequency and anharmonicity of the E2g mode as a function of Al concentration (x). From a comparison of the experimental data with the calculated E2g phonon frequency we show that the VCA-FPA reproduces the observed phonon renormalization in the whole range of Al concentrations. More interestingly, we find that the anharmonicity gradually decreases with Al doping and vanishes for x(Al)>0.5, that behaviour correlates with the evolution of the measured Raman linewidth in Al-doped MgB2. The significance of these results are discussed in the light of the experimentally observed loss of superconductivity in Mg1- xAlxB2.This work was supported by Consejo Nacional de Ciencia y Tecnolog'ia (CONACYT, M'exico) under Grant. No. 43830-F.

  4. Electron-phonon coupling and superconductivity in MgB2 under hydrostatic pressure.

    NASA Astrophysics Data System (ADS)

    Quijano, Ramiro; Aguayo, Aaron

    2005-03-01

    We have studied the dynamics and coupling of the E2g phonon mode with the σ-band in MgB2 under pressure using the Frozen Phonon Approximation. The results were obtained by means of first-principles total-energy calculations using the full potential Linearized Augmented Plane Wave (LAPW) method and the Generalized Gradient Approximation (GGA) for the exchange-correlation potential. We present results for the evolution of the anharmonicity and phonon frequency of the E2g mode, the electron-phonon coupling constant, and Tc as a function of hydrostatic pressure in the range 0-40 GPa. We find that the phonon frequency increases monotonically with pressure, but the the anharmonicity, the electron-phonon coupling and Tc decreases with pressure. We have obtained a very good agreement between the calculated Tc(P) and the experimental data available in the literature, in particular with the experimental data corresponding to monocystalline samples. This work was supported by Consejo Nacional de Ciencia y Tecnolog'ia (CONACYT, M'exico) under Grant No. 43830-F.

  5. Temperature Dependence of Raman-Active In-Plane E2g Phonons in Layered Graphene and h-BN Flakes

    NASA Astrophysics Data System (ADS)

    Li, Xiaoli; Liu, Jian; Ding, Kai; Zhao, Xiaohui; Li, Shuai; Zhou, Wenguang; Liang, Baolai

    2018-01-01

    Thermal properties of sp2 systems such as graphene and hexagonal boron nitride (h-BN) have attracted significant attention because of both systems being excellent thermal conductors. This research reports micro-Raman measurements on the in-plane E2g optical phonon peaks ( 1580 cm-1 in graphene layers and 1362 cm-1 in h-BN layers) as a function of temperature from - 194 to 200 °C. The h-BN flakes show higher sensitivity to temperature-dependent frequency shifts and broadenings than graphene flakes. Moreover, the thermal effect in the c direction on phonon frequency in h-BN layers is more sensitive than that in graphene layers but on phonon broadening in h-BN layers is similar as that in graphene layers. These results are very useful to understand the thermal properties and related physical mechanisms in h-BN and graphene flakes for applications of thermal devices.

  6. Phonons and their dispersion in model ferroelastics Hg2Hal2

    NASA Astrophysics Data System (ADS)

    Roginskii, E. M.; Kvasov, A. A.; Markov, Yu. F.; Smirnov, M. B.

    2012-05-01

    Dispersion relations of the acoustic and optical phonon frequencies have been calculated and plotted, and the density of states of the phonon spectrum of Hg2Cl2 and Hg2Br2 crystals has been derived. The effect of hydrostatic pressure on the frequencies of acoustic and optical phonons and their dispersion has been theoretically analyzed. It has been found that an increase in the pressure leads to a strong softening of the slowest acoustic TA branch (the soft mode) at the X point of the Brillouin zone boundary, which is consistent with the phenomenological Landau theory and correlates with experiment.

  7. Temperature and frequency dependent mean free paths of renormalized phonons in nonlinear lattices

    NASA Astrophysics Data System (ADS)

    Li, Nianbei; Liu, Junjie; Wu, Changqin; Li, Baowen

    2018-02-01

    Unraveling general properties of renormalized phonons are of fundamental relevance to the heat transport in the regime of strong nonlinearity. In this work, we directly study the temperature and frequency dependent mean free path (MFP) of renormalized phonons with the newly developed numerical tuning fork method. The typical 1D nonlinear lattices such as Fermi-Pasta-Ulam β lattice and {φ }4 lattice are investigated in detail. Interestingly, it is found that the MFPs are inversely proportional to the frequencies of renormalized phonons rather than the square of phonon frequencies predicted by existing phonon scattering theory.

  8. Quantum Theory of Conditional Phonon States in a Dual-Pumped Raman Optical Frequency Comb

    NASA Astrophysics Data System (ADS)

    Mondloch, Erin

    In this work, we theoretically and numerically investigate nonclassical phonon states created in the collective vibration of a Raman medium by the generation of a dual-pumped Raman optical frequency comb in an optical cavity. This frequency comb is generated by cascaded Raman scattering driven by two phase-locked pump lasers that are separated in frequency by three times the Raman phonon frequency. We characterize the variety of conditioned phonon states that are created when the number of photons in all optical frequency modes except the pump modes are measured. Almost all of these conditioned phonon states are extremely well approximated as three-phonon-squeezed states or Schrodinger-cat states, depending on the outcomes of the photon number measurements. We show how the combinations of first-, second-, and third-order Raman scattering that correspond to each set of measured photon numbers determine the fidelity of the conditioned phonon state with model three-phonon-squeezed states and Schrodinger-cat states. All of the conditioned phonon states demonstrate preferential growth of the phonon mode along three directions in phase space. That is, there are three preferred phase values that the phonon state takes on as a result of Raman scattering. We show that the combination of Raman processes that produces a given set of measured photon numbers always produces phonons in multiples of three. In the quantum number-state representation, these multiples of three are responsible for the threefold phase-space symmetry seen in the conditioned phonon states. With a semiclassical model, we show how this three-phase preference can also be understood in light of phase correlations that are known to spontaneously arise in single-pumped Raman frequency combs. Additionally, our semiclassical model predicts that the optical modes also grow preferentially along three phases, suggesting that the dual-pumped Raman optical frequency comb is partially phase-stabilized.

  9. Terahertz Sum-Frequency Excitation of a Raman-Active Phonon.

    PubMed

    Maehrlein, Sebastian; Paarmann, Alexander; Wolf, Martin; Kampfrath, Tobias

    2017-09-22

    In stimulated Raman scattering, two incident optical waves induce a force oscillating at the difference of the two light frequencies. This process has enabled important applications such as the excitation and coherent control of phonons and magnons by femtosecond laser pulses. Here, we experimentally and theoretically demonstrate the so far neglected up-conversion counterpart of this process: THz sum-frequency excitation of a Raman-active phonon mode, which is tantamount to two-photon absorption by an optical transition between two adjacent vibrational levels. Coherent control of an optical lattice vibration of diamond is achieved by an intense terahertz pulse whose spectrum is centered at half the phonon frequency of 40 THz. Remarkably, the carrier-envelope phase of the THz pulse is directly transferred into the phase of the lattice vibration. New prospects in general infrared spectroscopy, action spectroscopy, and lattice trajectory control in the electronic ground state emerge.

  10. Acoustic phonon dispersion at hypersonic frequencies in Si and Ge

    NASA Astrophysics Data System (ADS)

    Kuok, M. H.; Ng, S. C.; Rang, Z. L.; Lockwood, D. J.

    2000-11-01

    Brillouin spectra of the longitudinal acoustic (LA) mode, traveling along the [001] direction, in silicon and germanium have been recorded in 180° backscattering using 457.9-514.5-nm laser lines. The wave velocity of the LA phonon propagating in the [001] direction was determined at hypersonic frequencies, from the measured acoustic phonon dispersion in silicon and germanium. The elastic modulus c11 of the two semiconductors has been calculated from the respective measured hypersonic wave velocities and the results are compared with values determined from lower-frequency ultrasonic and other measurements. Interestingly, the hypersonic velocities are consistently lower by ~1-2 % than the ultrasonic ones, but they generally agree within the present experimental accuracy.

  11. Phonon-assisted oscillatory exciton dynamics in monolayer MoSe 2

    DOE PAGES

    Chow, Colin M.; Yu, Hongyi; Jones, Aaron M.; ...

    2017-10-13

    In monolayer semiconductor transition metal dichalcogenides, the exciton–phonon interaction strongly affects the photocarrier dynamics. Here, we report on an unusual oscillatory enhancement of the neutral exciton photoluminescence with the excitation laser frequency in monolayer MoSe 2. The frequency of oscillation matches that of the M-point longitudinal acoustic phonon, LA(M), suggesting the significance of zone-edge acoustic phonons and hence the deformation potential in exciton-phonon coupling in MoSe 2. Moreover, oscillatory behavior is observed in the steady-state emission linewidth and in time-resolved PLE data, which reveals variation with excitation energy in the exciton lifetime. These results clearly expose the key role playedmore » by phonons in the exciton formation and relaxation dynamics of two-dimensional van der Waals semiconductors.« less

  12. Unified Description of the Optical Phonon Modes inN-Layer MoTe2

    NASA Astrophysics Data System (ADS)

    Froehlicher, Guillaume; Lorchat, Etienne; Fernique, François; Joshi, Chaitanya; Molina-Sánchez, Alejandro; Wirtz, Ludger; Berciaud, Stéphane

    2015-10-01

    $N$-layer transition metal dichalcogenides provide a unique platform to investigate the evolution of the physical properties between the bulk (three dimensional) and monolayer (quasi two-dimensional) limits. Here, using high-resolution micro-Raman spectroscopy, we report a unified experimental description of the $\\Gamma$-point optical phonons in $N$-layer $2H$-molybdenum ditelluride (MoTe$_2$). We observe a series of $N$-dependent low-frequency interlayer shear and breathing modes (below $40~\\rm cm^{-1}$, denoted LSM and LBM) and well-defined Davydov splittings of the mid-frequency modes (in the range $100-200~\\rm cm^{-1}$, denoted iX and oX), which solely involve displacements of the chalcogen atoms. In contrast, the high-frequency modes (in the range $200-300~\\rm cm^{-1}$, denoted iMX and oMX), arising from displacements of both the metal and chalcogen atoms, exhibit considerably reduced splittings. The manifold of phonon modes associated with the in-plane and out-of-plane displacements are quantitatively described by a force constant model, including interactions up to the second nearest neighbor and surface effects as fitting parameters. The splittings for the iX and oX modes observed in $N$-layer crystals are directly correlated to the corresponding bulk Davydov splittings between the $E_{2u}/E_{1g}$ and $B_{1u}/A_{1g}$ modes, respectively, and provide a measurement of the frequencies of the bulk silent $E_{2u}$ and $B_{1u}$ optical phonon modes. Our analysis could readily be generalized to other layered crystals.

  13. Phonon quarticity induced by changes in phonon-tracked hybridization during lattice expansion and its stabilization of rutile TiO 2

    DOE PAGES

    Lan, Tian; Li, Chen W.; Hellman, O.; ...

    2015-08-11

    Although the rutile structure of TiO 2 is stable at high temperatures, the conventional quasiharmonic approximation predicts that several acoustic phonons decrease anomalously to zero frequency with thermal expansion, incorrectly predicting a structural collapse at temperatures well below 1000 K. In this paper, inelastic neutron scattering was used to measure the temperature dependence of the phonon density of states (DOS) of rutile TiO 2 from 300 to 1373 K. Surprisingly, these anomalous acoustic phonons were found to increase in frequency with temperature. First-principles calculations showed that with lattice expansion, the potentials for the anomalous acoustic phonons transform from quadratic tomore » quartic, stabilizing the rutile phase at high temperatures. In these modes, the vibrational displacements of adjacent Ti and O atoms cause variations in hybridization of 3d electrons of Ti and 2p electrons of O atoms. Finally, with thermal expansion, the energy variation in this “phonon-tracked hybridization” flattens the bottom of the interatomic potential well between Ti and O atoms, and induces a quarticity in the phonon potential.« less

  14. Phonon vibrational frequencies of all single-wall carbon nanotubes at the lambda point: reduced matrix calculations.

    PubMed

    Wang, Yufang; Wu, Yanzhao; Feng, Min; Wang, Hui; Jin, Qinghua; Ding, Datong; Cao, Xuewei

    2008-12-01

    With a simple method-the reduced matrix method, we simplified the calculation of the phonon vibrational frequencies according to SWNTs structure and their phonon symmetric property and got the dispersion properties of all SWNTs at Gamma point in Brillouin zone, whose diameters lie between 0.6 and 2.5 nm. The calculating time is shrunk about 2-4 orders. A series of the dependent relationships between the diameters of SWNTs and the frequencies of Raman and IR active modes are given. Several fine structures including "glazed tile" structures in omega approximately d figures are found, which might predict a certain macro-quantum phenomenon of the phonons in SWNTs.

  15. Phonon spectra and the one-phonon and two-phonon densities of states of UO2 and PuO2

    NASA Astrophysics Data System (ADS)

    Poplavnoi, A. S.; Fedorova, T. P.; Fedorov, I. A.

    2017-04-01

    The vibrational spectra of uranium dioxide UO2 and plutonium dioxide PuO2, as well as the one-phonon densities of states and thermal occupation number weighted two-phonon densities of states, have been calculated within the framework of the phenomenological rigid ion model. It has been shown that the acoustic and optical branches of the spectra are predominantly determined by vibrations of the metal and oxygen atoms, respectively, because the atomic masses of the metal and oxygen differ from each other by an order of magnitude. On this basis, the vibrational spectra can be represented in two Brillouin zones, i.e., in the Brillouin zone of the crystal and the Brillouin zone of the oxygen sublattice. In this case, the number of optical branches decreases by a factor of two. The two-phonon densities of states consist of two broad structured peaks. The temperature dependences of the upper peak exhibit a thermal broadening of the phonon lines L01 and L02 in the upper part of the optical branches. The lower peak is responsible for the thermal broadening of the lowest two optical (T02, T01) and acoustic (LA, TA) branches.

  16. Unified Description of the Optical Phonon Modes in N-Layer MoTe2

    NASA Astrophysics Data System (ADS)

    Froehlicher, Guillaume; Lorchat, Etienne; Fernique, François; Joshi, Chaitanya; Molina-Sánchez, Alejandro; Wirtz, Ludger; Berciaud, Stéphane

    N -layer transition metal dichalcogenides (denoted MX2) provide a unique platform to investigate the evolution of the physical properties between the bulk (3D) and monolayer (quasi-2D) limits. Here, we present a unified analysis of the optical phonon modes in N-layer 2 H -MX2. The 2 H -phase (or hexagonal phase) is the most common polytype for semiconducting MX2 (such as MoS2). Using Raman spectroscopy, we have measured the manifold of low-frequency (rigid layer), mid-frequency (involving intralayer displacement of the chalcogen atoms only), and high-frequency (involving intralayer displacements of all atoms) Raman-active modes in N = 1 to 12 layer 2 H -molybdenenum ditelluride (MoTe2). For each monolayer mode, the N-dependent phonon frequencies give rise to fan diagrams that are quantitatively fit to a force constant model. This analysis allows us to deduce the frequencies of all the bulk (including silent) optical phonon modes.

  17. Temperature dependence of the dynamics of zone boundary phonons in ZnO:Li

    NASA Astrophysics Data System (ADS)

    Yadav, Harish Kumar; Sreenivas, K.; Gupta, Vinay; Katiyar, R. S.

    2008-12-01

    Investigations of zone boundary phonons in ZnO:Li system (Li concentration: 10%) and their dynamics with temperature are reported. Additional modes at 127, 157, and 194 cm-1 are observed and assigned to zone boundary phonons at critical point M in the Brillouin zone [J. M. Calleja and M. Cardona, Phys. Rev. B 16, 3753 (1977)] due to breakdown of crystal translational symmetry with Li incorporation in ZnO. Anharmonicity in peak frequency and linewidth of the zone boundary phonons in a temperature range from 100 to 1000 K is also analyzed taking into account the decay of zone boundary phonons into three- and four-phonon modes (cubic and quadratic anharmonicities). The anharmonic behavior of peak frequency is found to be feebly dependent on three-phonon decay process but thermal expansion of lattice together with four-phonon decay process appropriately defines the temperature dependence. Linewidths, however, follow the simple four-phonon decay mechanism. E2(low) mode, on the other hand, shows a linear temperature dependency and therefore follows a three-phonon decay channel. The calculated values of phonon lifetimes at 100 K for the 127, 157, 194 cm-1, and E2(low) modes are 8.23, 6.54, 5.32, and 11.39 ps. Decay of the zone boundary phonon modes compared to E2(low) mode reveals that dopant induced disorder has a strong temperature dependency.

  18. Phonons in self-assembled Ge/Si structures

    NASA Astrophysics Data System (ADS)

    Milekhin, A. G.; Nikiforov, A. I.; Pchelyakov, O. P.; Schulze, S.; Zahn, D. R. T.

    2002-03-01

    We present the results of an investigation dealing with fundamental vibrations in periodical Ge/Si structures with small-size Ge quantum dots (QDs) performed using macro- and micro-Raman spectroscopy under resonant and off-resonant conditions. Samples with different number of repetition of Ge and Si layers contain Ge QDs with an average dot base size of 15 nm and a QD height of 2 nm. Periodic oscillations observed in the low-frequency region of the Raman spectra are assigned to folded LA phonons in the Ge QD superlattices. The measured phonon frequencies are in a good agreement with those calculated using the Rytov model. These oscillations are superimposed with a broad continuous emission originating from the whole acoustic dispersion branch due to a breaking up of translational invariance. The Raman spectra of the structure with single Ge QD layer reveal a series of peaks corresponding to LA phonons localized in the Si layer. Using the measured phonon frequencies and corresponding wave vectors the dispersion of the LA phonons in the Si is obtained. The longitudinal-acoustic wave velocity determined from the dispersion is 8365 ms-1 and in excellent agreement with that derived from the Brillouin study. In the optical phonon range, the LO and TO phonons localized in Ge QDs are observed. The position of the LO Ge phonons shifts downwards with increasing excitation energy (from 2.5 to 2.7 eV) indicating the presence of a QD size distribution in Ge dot superlattices. Raman scattering from Ge QDs is size-selectively enhanced by the resonance of the exciting laser energy and the confined excitonic states.

  19. Pressure effect on phonon frequencies in some transition metals: A molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Kazanc, S.; Ozgen, S.

    2005-08-01

    It is important to determine the atomic lattice vibrations of metallic materials, under high-pressure conditions, due to its effects on material properties such as thermal, electrical and optical conductions. In this work, we have investigated the changes of acoustic phonon frequencies with hydrostatic pressure for Cu, Ni, Al, Ag and Au transition metals, using molecular dynamics (MD) simulations based on embedded atom method (EAM). For this aim, we have adopted the embedded atom potential proposed by Sutton and Chen. The phonon frequencies have been calculated from the dynamical matrix for [1 0 0], [1 1 0] and [1 1 1] high symmetry directions of the Brillouin zone. The obtained results show that the hydrostatic pressure causes an increment in phonon frequencies, and this rising do not depend linearly on the increasing pressure.

  20. A highly attenuating and frequency tailorable annular hole phononic crystal for surface acoustic waves.

    PubMed

    Ash, B J; Worsfold, S R; Vukusic, P; Nash, G R

    2017-08-02

    Surface acoustic wave (SAW) devices are widely used for signal processing, sensing and increasingly for lab-on-a-chip applications. Phononic crystals can control the propagation of SAW, analogous to photonic crystals, enabling components such as waveguides and cavities. Here we present an approach for the realisation of robust, tailorable SAW phononic crystals, based on annular holes patterned in a SAW substrate. Using simulations and experiments, we show that this geometry supports local resonances which create highly attenuating phononic bandgaps at frequencies with negligible coupling of SAWs into other modes, even for relatively shallow features. The enormous bandgap attenuation is up to an order-of-magnitude larger than that achieved with a pillar phononic crystal of the same size, enabling effective phononic crystals to be made up of smaller numbers of elements. This work transforms the ability to exploit phononic crystals for developing novel SAW device concepts, mirroring contemporary progress in photonic crystals.The control and manipulation of propagating sound waves on a surface has applications in on-chip signal processing and sensing. Here, Ash et al. deviate from standard designs and fabricate frequency tailorable phononic crystals with an order-of-magnitude increase in attenuation.

  1. Fine Structure of the Low-Frequency Raman Phonon Bands of Single-Wall Carbon Nanotubes

    NASA Technical Reports Server (NTRS)

    Iliev, M. N.; Litvinchuk, A. P.; Arepalli, S.; Nikolaev, P.; Scott, C. D.

    1999-01-01

    The Raman spectra of singled-wall carbon nanotubes (SWNT) produced by laser and are process were studied between 5 and 500 kappa. The line width vs. temperature dependence of the low-frequency Raman bands between 150 and 200/ cm deviates from that expected for phonon decay through phonon-phonon scattering mechanism. The experimental results and their analysis provided convincing evidence that each of the low-frequency Raman lines is a superposition of several narrower Raman lines corresponding to tubes of nearly the same diameter. The application of Raman spectroscopy to probe the distribution of SWNT by both diameter and chirality is discussed.

  2. Thermal tuning on band gaps of 2D phononic crystals considering adhesive layers

    NASA Astrophysics Data System (ADS)

    Zhou, Xiaoliang; Chen, Jialin; Li, Yuhang; Sun, Yuxin; Xing, Yufeng

    2018-02-01

    Phononic crystals are very attractive in many applications, such as noise reduction, filters and vibration isolation, due to their special forbidden band gap structures. In the present paper, the investigation of tunable band gaps of 2D phononic crystals with adhesive layers based on thermal changing is conducted. Based on the lumped-mass method, an analytical model of 2D phononic crystals with relatively thin adhesive layers is established, in which the in-plane and out-of-plane modes are both in consideration. The adhesive material is sensitive to temperature so that the band structure can be tuned and controlled by temperature variation. As temperature increases from 20 °C-80 °C, the first band gap shifts to the frequency zone around 10 kHz, which is included by the audible frequency range. The results propose an important guideline for applications, such as noise suppression using the 2D phononic crystals.

  3. Electronic and phononic modulation of MoS2 under biaxial strain

    NASA Astrophysics Data System (ADS)

    Moghadasi, A.; Roknabadi, M. R.; Ghorbani, S. R.; Modarresi, M.

    2017-12-01

    Dichalcogenides of transition metals are attractive material due to its unique properties. In this work, it has been investigated the electronic band structure, phonon spectrum and heat capacity of MoS2 under the applied tensile and compressive biaxial strain using the density functional theory. The Molybdenum disulfide under compressive (tensile) strain up to 6% (10%) has stable atomic structure without any negative frequency in the phonon dispersion curves. The tensile biaxial strain reduces the energy gap in the electronic band structure and the optical-acoustic gap in phonon dispersion curves. The tensile biaxial strain also increases the specific heat capacity. On the other hand, the compressive biaxial strain in this material increases phonon gap and reduces the heat capacity and the electronic band gap. The phonon softening/hardening is reported for tensile/compressive biaxial strain in MoS2. We report phonon hardening for out of plane ZA mode in the presence of both tensile and compressive strains. Results show that the linear variation of specific heat with strain (CV ∝ε) and square dependency of specific heat with the temperature (CV ∝T2) for low temperature regime. The results demonstrate that the applied biaxial strain tunes the electronic energy gap and modifies the phonon spectrum of MoS2.

  4. Phonon spectra, electronic, and thermodynamic properties of WS2 nanotubes.

    PubMed

    Evarestov, Robert A; Bandura, Andrei V; Porsev, Vitaly V; Kovalenko, Alexey V

    2017-11-15

    Hybrid density functional theory calculations are performed for the first time on the phonon dispersion and thermodynamic properties of WS 2 -based single-wall nanotubes. Symmetry analysis is presented for phonon modes in nanotubes using the standard (crystallographic) factorization for line groups. Symmetry and the number of infra-red and Raman active modes in achiral WS 2 nanotubes are given for armchair and zigzag chiralities. It is demonstrated that a number of infrared and Raman active modes is independent on the nanotube diameter. The zone-folding approach is applied to find out an impact of curvature on electron and phonon band structure of nanotubes rolled up from the monolayer. Phonon frequencies obtained both for layers and nanotubes are used to compute the thermal contributions to their thermodynamic functions. The temperature dependences of energy, entropy, and heat capacity of nanotubes are estimated with respect to those of the monolayer. The role of phonons in the stability estimation of nanotubes is discussed based on Helmholtz free energy calculations. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  5. Coherent Phonon Transport Measurement and Controlled Acoustic Excitations Using Tunable Acoustic Phonon Source in GHz-sub THz Range with Variable Bandwidth.

    PubMed

    Shen, Xiaohan; Lu, Zonghuan; Timalsina, Yukta P; Lu, Toh-Ming; Washington, Morris; Yamaguchi, Masashi

    2018-05-04

    We experimentally demonstrated a narrowband acoustic phonon source with simultaneous tunabilities of the centre frequency and the spectral bandwidth in the GHz-sub THz frequency range based on photoacoustic excitation using intensity-modulated optical pulses. The centre frequency and bandwidth are tunable from 65 to 381 GHz and 17 to 73 GHz, respectively. The dispersion of the sound velocity and the attenuation of acoustic phonons in silicon dioxide (SiO 2 ) and indium tin oxide (ITO) thin films were investigated using the acoustic phonon source. The sound velocities of SiO 2 and ITO films were frequency-independent in the measured frequency range. On the other hand, the phonon attenuations of both of SiO 2 and ITO films showed quadratic frequency dependences, and polycrystalline ITO showed several times larger attenuation than those in amorphous SiO 2 . In addition, the selective excitation of mechanical resonance modes was demonstrated in nanoscale tungsten (W) film using acoustic pulses with various centre frequencies and spectral widths.

  6. Coherent phonon optics in a chip with an electrically controlled active device.

    PubMed

    Poyser, Caroline L; Akimov, Andrey V; Campion, Richard P; Kent, Anthony J

    2015-02-05

    Phonon optics concerns operations with high-frequency acoustic waves in solid media in a similar way to how traditional optics operates with the light beams (i.e. photons). Phonon optics experiments with coherent terahertz and sub-terahertz phonons promise a revolution in various technical applications related to high-frequency acoustics, imaging, and heat transport. Previously, phonon optics used passive methods for manipulations with propagating phonon beams that did not enable their external control. Here we fabricate a phononic chip, which includes a generator of coherent monochromatic phonons with frequency 378 GHz, a sensitive coherent phonon detector, and an active layer: a doped semiconductor superlattice, with electrical contacts, inserted into the phonon propagation path. In the experiments, we demonstrate the modulation of the coherent phonon flux by an external electrical bias applied to the active layer. Phonon optics using external control broadens the spectrum of prospective applications of phononics on the nanometer scale.

  7. Surface phonons on Bi2Sr2CaCu2O8+δ

    NASA Astrophysics Data System (ADS)

    Phelps, R. B.; Akavoor, P.; Kesmodel, L. L.; Demuth, J. E.; Mitzi, D. B.

    1993-11-01

    We report measurements of surface optical phonons on Bi2Sr2CaCu2O8+δ with high-resolution electron-energy-loss spectroscopy (HREELS). In addition to peaks near 50 and 80 meV (403 and 645 cm-1), which have been previously observed, our loss spectra exhibit a peak at 26 meV (210 cm-1). Loss spectra were measured at temperatures from 45 to 146 K, and the temperature dependence of the peaks was found to be weak. The 50 and 80 meV peaks shift to lower frequency by ~1.5 meV over this temperature range. All three peaks are attributed to surface optical phonons. The identification of particular bulk modes corresponding to the surface modes observed with HREELS is discussed.

  8. Heat transport by phonons in crystalline materials and nanostructures

    NASA Astrophysics Data System (ADS)

    Koh, Yee Kan

    This dissertation presents experimental studies of heat transport by phonons in crystalline materials and nanostructures, and across solid-solid interfaces. Particularly, this dissertation emphasizes advancing understanding of the mean-free-paths (i.e., the distance phonons propagate without being scattered) of acoustic phonons, which are the dominant heat carriers in most crystalline semiconductor nanostructures. Two primary tools for the studies presented in this dissertation are time-domain thermoreflectance (TDTR) for measurements of thermal conductivity of nanostructures and thermal conductance of interfaces; and frequency-domain thermoreflectance (FDTR), which I developed as a direct probe of the mean-free-paths of dominant heat-carrying phonons in crystalline solids. The foundation of FDTR is the dependence of the apparent thermal conductivity on the frequency of periodic heat sources. I find that the thermal conductivity of semiconductor alloys (InGaP, InGaAs, and SiGe) measured by TDTR depends on the modulation frequency, 0.1 ≤ f ≤ 10 MHz, used in TDTR measurements. Reduction in the thermal conductivity of the semiconductor alloys at high f compares well to the reduction in the thermal conductivity of epitaxial thin films, indicating that frequency dependence and thickness dependence of thermal conductivity are fundamentally equivalent. I developed the frequency dependence of thermal conductivity into a convenient probe of phonon mean-free-paths, a technique which I call frequency-domain thermoreflectance (FDTR). In FDTR, I monitor the changes in the intensity of the reflected probe beam as a function of the modulation frequency. To facilitate the analysis of FDTR measurements, I developed a nonlocal theory for heat conduction by phonons at high heating frequencies. Calculations of the nonlocal theory confirm my experimental findings that phonons with mean-free-paths longer than two times the penetration depth do not contribute to the apparent thermal

  9. Phonon-coupled ultrafast interlayer charge oscillation at van der Waals heterostructure interfaces

    NASA Astrophysics Data System (ADS)

    Zheng, Qijing; Xie, Yu; Lan, Zhenggang; Prezhdo, Oleg V.; Saidi, Wissam A.; Zhao, Jin

    2018-05-01

    Van der Waals (vdW) heterostructures of transition-metal dichalcogenide (TMD) semiconductors are central not only for fundamental science, but also for electro- and optical-device technologies where the interfacial charge transfer is a key factor. Ultrafast interfacial charge dynamics has been intensively studied, however, the atomic scale insights into the effects of the electron-phonon (e-p) coupling are still lacking. In this paper, using time dependent ab initio nonadiabatic molecular dynamics, we study the ultrafast interfacial charge transfer dynamics of two different TMD heterostructures MoS2/WS2 and MoSe2/WSe2 , which have similar band structures but different phonon frequencies. We found that MoSe2/WSe2 has softer phonon modes compared to MoS2/WS2 , and thus phonon-coupled charge oscillation can be excited with sufficient phonon excitations at room temperature. In contrast, for MoS2/WS2 , phonon-coupled interlayer charge oscillations are not easily excitable. Our study provides an atomic level understanding on how the phonon excitation and e-p coupling affect the interlayer charge transfer dynamics, which is valuable for both the fundamental understanding of ultrafast dynamics at vdW hetero-interfaces and the design of novel quasi-two-dimensional devices for optoelectronic and photovoltaic applications.

  10. Acoustic frequency filter based on anisotropic topological phononic crystals.

    PubMed

    Chen, Ze-Guo; Zhao, Jiajun; Mei, Jun; Wu, Ying

    2017-11-08

    We present a design of acoustic frequency filter based on a two-dimensional anisotropic phononic crystal. The anisotropic band structure exhibits either a directional or a combined (global + directional) bandgap at certain frequency regions, depending on the geometry. When the time-reversal symmetry is broken, it may introduce a topologically nontrivial bandgap. The induced nontrivial bandgap and the original directional bandgap result in various interesting wave propagation behaviors, such as frequency filter. We develop a tight-binding model to characterize the effective Hamiltonian of the system, from which the contribution of anisotropy is explicitly shown. Different from the isotropic cases, the Zeeman-type splitting is not linear and the anisotropic bandgap makes it possible to achieve anisotropic propagation characteristics along different directions and at different frequencies.

  11. Design of radial phononic crystal using annular soft material with low-frequency resonant elastic structures

    NASA Astrophysics Data System (ADS)

    Gao, Nansha; Wu, Jiu Hui; Yu, Lie; Xin, Hang

    2016-10-01

    Using FEM, we theoretically study the vibration properties of radial phononic crystal (RPC) with annular soft material. The band structures, transmission spectra, and displacement fields of eigenmode are given to estimate the starting and cut-off frequency of band gaps. Numerical calculation results show that RPC with annular soft material can yield low-frequency band gaps below 350 Hz. Annular soft material decreases equivalent stiffness of the whole structure effectively, and makes corresponding band gaps move to the lower frequency range. Physical mechanism behind band gaps is the coupling effect between long or traveling wave in plate matrix and the vibrations of corrugations. By changing geometrical dimensions of plate thickness e, the length of silicone rubber h2, and the corrugation width b, we can control the location and width of the first band gap. These research conclusions of RPC structure with annular soft material can potentially be applied to optimize band gaps, generate filters, and design acoustic devices.

  12. Phonon self-energy corrections to non-zero wavevector phonon modes in single-layer graphene

    NASA Astrophysics Data System (ADS)

    Araujo, Paulo; Mafra, Daniela; Sato, Kentaro; Saito, Richiiro; Kong, Jing; Dresselhaus, Mildred

    2012-02-01

    Phonon self-energy corrections have mostly been studied theoretically and experimentally for phonon modes with zone-center (q = 0) wave-vectors. Here, gate-modulated Raman scattering is used to study phonons of a single layer of graphene (1LG) in the frequency range from 2350 to 2750 cm-1, which shows the G* and the G'-band features originating from a double-resonant Raman process with q 0. The observed phonon renormalization effects are different from what is observed for the zone-center q = 0 case. To explain our experimental findings, we explored the phonon self-energy for the phonons with non-zero wave-vectors (q 0) in 1LG in which the frequencies and decay widths are expected to behave oppositely to the behavior observed in the corresponding zone-center q = 0 processes. Within this framework, we resolve the identification of the phonon modes contributing to the G* Raman feature at 2450 cm-1 to include the iTO+LA combination modes with q 0 and the 2iTO overtone modes with q = 0, showing both to be associated with wave-vectors near the high symmetry point K in the Brillouin zone.

  13. First principles calculation of lattice thermal conductivity of metals considering phonon-phonon and phonon-electron scattering

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wang, Yan; Lu, Zexi; Ruan, Xiulin, E-mail: ruan@purdue.edu

    2016-06-14

    The effect of phonon-electron (p-e) scattering on lattice thermal conductivity is investigated for Cu, Ag, Au, Al, Pt, and Ni. We evaluate both phonon-phonon (p-p) and p-e scattering rates from first principles and calculate the lattice thermal conductivity (κ{sub L}). It is found that p-e scattering plays an important role in determining the κ{sub L} of Pt and Ni at room temperature, while it has negligible effect on the κ{sub L} of Cu, Ag, Au, and Al. Specifically, the room temperature κ{sub L}s of Cu, Ag, Au, and Al predicted from density-functional theory calculations with the local density approximation aremore » 16.9, 5.2, 2.6, and 5.8 W/m K, respectively, when only p-p scattering is considered, while it is almost unchanged when p-e scattering is also taken into account. However, the κ{sub L} of Pt and Ni is reduced from 7.1 and 33.2 W/m K to 5.8 and 23.2 W/m K by p-e scattering. Even though Al has quite high electron-phonon coupling constant, a quantity that characterizes the rate of heat transfer from hot electrons to cold phonons in the two-temperature model, p-e scattering is not effective in reducing κ{sub L} owing to the relatively low p-e scattering rates in Al. The difference in the strength of p-e scattering in different metals can be qualitatively understood by checking the amount of electron density of states that is overlapped with the Fermi window. Moreover, κ{sub L} is found to be comparable to the electronic thermal conductivity in Ni.« less

  14. Thermal diffusivity of electrical insulators at high temperatures: Evidence for diffusion of bulk phonon-polaritons at infrared frequencies augmenting phonon heat conduction

    NASA Astrophysics Data System (ADS)

    Hofmeister, Anne M.; Dong, Jianjun; Branlund, Joy M.

    2014-04-01

    We show that laser-flash analysis measurements of the temperature (T) dependence of thermal diffusivity (D) for diverse non-metallic (e.g., silicates) single-crystals is consistently represented by D(T) = FT-G + HT above 298 K, with G ranging from 0.3 to 2, depending on structure, and H being ˜10-4 K-1 for 51 single-crystals, 3 polycrystals, and two glasses unaffected by disorder or reconstructive phase transitions. Materials exhibiting this behavior include complex silicates with variable amounts of cation disorder, perovskite structured materials, and graphite. The high-temperature term HT becomes important by ˜1300 K, above which temperature its contribution to D(T) exceeds that of the FT-G term. The combination of the FT-G and HT terms produces the nearly temperature independent high-temperature region of D previously interpreted as the minimal phonon mean free path being limited by the finite interatomic spacing. Based on the simplicity of the fit and large number of materials it represents, this finding has repercussions for high-temperature models of heat transport. One explanation is that the two terms describing D(T) are associated with two distinct microscopic mechanisms; here, we explore the possibility that the thermal diffusivity of an electrical insulator could include both a contribution of lattice phonons (the FT-G term) and a contribution of diffusive bulk phonon-polaritons (BPP) at infrared (IR) frequencies (the HT term). The proposed BPP diffusion exists over length scales smaller than the laboratory sample sizes, and transfers mixed light and vibrational energy at a speed significantly smaller than the speed of light. Our diffusive IR-BPP hypothesis is consistent with other experimental observations such as polarization behavior, dependence of D on the number of IR peaks, and H = 0 for Ge and Si, which lack IR fundamentals. A simple quasi-particle thermal diffusion model is presented to begin understanding the contribution from bulk phonon

  15. Thickness-dependent carrier and phonon dynamics of topological insulator Bi2Te3 thin films.

    PubMed

    Zhao, Jie; Xu, Zhongjie; Zang, Yunyi; Gong, Yan; Zheng, Xin; He, Ke; Cheng, Xiang'ai; Jiang, Tian

    2017-06-26

    As a new quantum state of matter, topological insulators offer a new platform for exploring new physics, giving rise to fascinating new phenomena and new devices. Lots of novel physical properties of topological insulators have been studied extensively and are attributed to the unique electron-phonon interactions at the surface. Although electron behavior in topological insulators has been studied in detail, electron-phonon interactions at the surface of topological insulators are less understood. In this work, using optical pump-optical probe technology, we performed transient absorbance measurement on Bi 2 Te 3 thin films to study the dynamics of its hot carrier relaxation process and coherent phonon behavior. The excitation and dynamics of phonon modes are observed with a response dependent on the thickness of the samples. The thickness-dependent characteristic time, amplitude and frequency of the damped oscillating signals are acquired by fitting the signal profiles. The results clearly indicate that the electron-hole recombination process gradually become dominant with the increasing thickness which is consistent with our theoretical calculation. In addition, a frequency modulation phenomenon on the high-frequency oscillation signals induced by coherent optical phonons is observed.

  16. Phononic crystal devices

    DOEpatents

    El-Kady, Ihab F [Albuquerque, NM; Olsson, Roy H [Albuquerque, NM

    2012-01-10

    Phononic crystals that have the ability to modify and control the thermal black body phonon distribution and the phonon component of heat transport in a solid. In particular, the thermal conductivity and heat capacity can be modified by altering the phonon density of states in a phononic crystal. The present invention is directed to phononic crystal devices and materials such as radio frequency (RF) tags powered from ambient heat, dielectrics with extremely low thermal conductivity, thermoelectric materials with a higher ratio of electrical-to-thermal conductivity, materials with phononically engineered heat capacity, phononic crystal waveguides that enable accelerated cooling, and a variety of low temperature application devices.

  17. Studies of Phonon Anharmonicity in Solids

    NASA Astrophysics Data System (ADS)

    Lan, Tian

    the Fourier transformed velocity autocorrelation method to handle the big data of time-dependent atomic velocities from MD calculations, and efficiently reconstructs the phonon DOS and phonon dispersion relations. Our calculations can reproduce the phonon frequency shifts and lifetime broadenings very well at various temperatures. To understand non-harmonic interactions in a microscopic way, we have developed a numerical fitting method to analyze the decay channels of phonon-phonon interactions. Based on the quantum perturbation theory of many-body interactions, this method is used to calculate the three-phonon and four-phonon kinematics subject to the conservation of energy and momentum, taking into account the weight of phonon couplings. We can assess the strengths of phonon-phonon interactions of different channels and anharmonic orders with the calculated two-phonon DOS. This method, with high computational efficiency, is a promising direction to advance our understandings of non-harmonic lattice dynamics and thermal transport properties. These experimental techniques and theoretical methods have been successfully performed in the study of anharmonic behaviors of metal oxides, including rutile and cuprite stuctures, and will be discussed in detail in Chapters 4 to 6. For example, for rutile titanium dioxide (TiO2), we found that the anomalous anharmonic behavior of the B1g mode can be explained by the volume effects on quasiharmonic force constants, and by the explicit cubic and quartic anharmonicity. For rutile tin dioxide (SnO2), the broadening of the B2 g mode with temperature showed an unusual concave downwards curvature. This curvature was caused by a change with temperature in the number of down-conversion decay channels, originating with the wide band gap in the phonon dispersions. For silver oxide (Ag2O), strong anharmonic effects were found for both phonons and for the negative thermal expansion.

  18. Vacancy and curvature effects on the phonon properties of single wall carbon nanotube

    NASA Astrophysics Data System (ADS)

    Hossain Howlader, Ashraful; Sherajul Islam, Md.; Tanaka, Satoru; Makino, Takayuki; Hashimoto, Akihiro

    2018-02-01

    Single wall carbon nanotube (SWCNT) is considered as an ideal candidate for next-generation nanoelectronics owing to its unusual properties. Here we have performed an in-depth theoretical analysis of the effect of vacancy defects and curvature on the phonon properties of (10,0) and (10,10) SWCNTs using the forced vibrational method. We report that Raman active E2g mode softens towards the low-frequency region with increasing vacancies and curvature in both types of CNTs. Vacancy induces some new peaks at low-frequency region of the phonon density of states. Phonon localization properties are also manifested. Our calculated mode pattern and localization length show that optical phonon at Raman D-band frequency is strongly localized in vacancy defected and large curved CNTs. Our findings will be helpful in explaining the thermal conductivity, specific heat capacity, and Raman spectra in vacancy type disordered CNTs, as well as electron transport properties of CNT-based nanoelectronic devices.

  19. Cerenkov emission of acoustic phonons electrically generated from three-dimensional Dirac semimetals

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kubakaddi, S. S., E-mail: sskubakaddi@gmail.com

    2016-05-21

    Cerenkov acoustic phonon emission is theoretically investigated in a three-dimensional Dirac semimetal (3DDS) when it is driven by a dc electric field E. Numerical calculations are made for Cd{sub 3}As{sub 2} in which mobility and electron concentration are large. We find that Cerenkov emission of acoustic phonons takes place when the electron drift velocity v{sub d} is greater than the sound velocity v{sub s}. This occurs at small E (∼few V/cm) due to large mobility. Frequency (ω{sub q}) and angular (θ) distribution of phonon emission spectrum P(ω{sub q}, θ) are studied for different electron drift velocities v{sub d} (i.e., differentmore » E) and electron concentrations n{sub e}. The frequency dependence of P(ω{sub q}, θ) shows a maximum P{sub m}(ω{sub q}, θ) at about ω{sub m} ≈ 1 THz and is found to increase with the increasing v{sub d} and n{sub e}. The value of ω{sub m} shifts to higher region for larger n{sub e}. It is found that ω{sub m}/n{sub e}{sup 1/3} and P{sub m}(ω{sub q}, θ)/n{sub e}{sup 2/3} are nearly constants. The latter is in contrast with the P{sub m}(ω{sub q}, θ)n{sub e}{sup 1/2 }= constant in conventional bulk semiconductor. Each maximum is followed by a vanishing spectrum at nearly “2k{sub f} cutoff,” where k{sub f} is the Fermi wave vector. Angular dependence of P(ω{sub q}, θ) and the intensity P(θ) of the phonon emission shows a maximum at an emission angle 45° and is found to increase with increasing v{sub d}. P(θ) is found to increase linearly with n{sub e} giving the ratio P(θ)/(n{sub e}v{sub d}) nearly a constant. We suggest that it is possible to have the controlled Cerenkov emission and generation of acoustic phonons with the proper choice of E, θ, and n{sub e}. 3DDS with large n{sub e} and mobility can be a good source of acoustic phonon generation in ∼THz regime.« less

  20. The effect of n- and p-type doping on coherent phonons in GaN.

    PubMed

    Ishioka, Kunie; Kato, Keiko; Ohashi, Naoki; Haneda, Hajime; Kitajima, Masahiro; Petek, Hrvoje

    2013-05-22

    The effect of doping on the carrier-phonon interaction in wurtzite GaN is investigated by pump-probe reflectivity measurements using 3.1 eV light in near resonance with the fundamental band gap of 3.39 eV. Coherent modulations of the reflectivity due to the E2 and A1(LO) modes, as well as the 2A1(LO) overtone are observed. Doping of acceptor and donor atoms enhances the dephasing of the polar A1(LO) phonon via coupling with plasmons, with the effect of donors being stronger. Doping also enhances the relative amplitude of the coherent A1(LO) phonon with respect to that of the high-frequency E2 phonon, though it does not affect the relative intensity in Raman spectroscopic measurements. We attribute this enhanced coherent amplitude to the transient depletion field screening (TDFS) excitation mechanism, which, in addition to impulsive stimulated Raman scattering (ISRS), contributes to the generation of coherent polar phonons even for sub-band gap excitation. Because the TDFS mechanism requires photoexcitation of carriers, we argue that the interband transition is made possible at a surface with photon energies below the bulk band gap through the Franz-Keldysh effect.

  1. Phononic crystal diffraction gratings

    NASA Astrophysics Data System (ADS)

    Moiseyenko, Rayisa P.; Herbison, Sarah; Declercq, Nico F.; Laude, Vincent

    2012-02-01

    When a phononic crystal is interrogated by an external source of acoustic waves, there is necessarily a phenomenon of diffraction occurring on the external enclosing surfaces. Indeed, these external surfaces are periodic and the resulting acoustic diffraction grating has a periodicity that depends on the orientation of the phononic crystal. This work presents a combined experimental and theoretical study on the diffraction of bulk ultrasonic waves on the external surfaces of a 2D phononic crystal that consists of a triangular lattice of steel rods in a water matrix. The results of transmission experiments are compared with theoretical band structures obtained with the finite-element method. Angular spectrograms (showing frequency as a function of angle) determined from diffraction experiments are then compared with finite-element simulations of diffraction occurring on the surfaces of the crystal. The experimental results show that the diffraction that occurs on its external surfaces is highly frequency-dependent and has a definite relation with the Bloch modes of the phononic crystal. In particular, a strong influence of the presence of bandgaps and deaf bands on the diffraction efficiency is found. This observation opens perspectives for the design of efficient phononic crystal diffraction gratings.

  2. Magnetically induced phonon splitting in A Cr 2 O 4 spinels from first principles

    DOE PAGES

    Wysocki, Aleksander L.; Birol, Turan

    2016-04-22

    We study the magnetically-induced phonon splitting in cubic ACr 2O 4 (A=Mg, Zn, Cd) spinels from first principles and demonstrate that the sign of the splitting, which is experimentally observed to be opposite in CdCr 2O 4 compared to ZnCr 2O 4 and MgCr 2O 4, is determined solely by the particular magnetic ordering pattern observed in these compounds. We further show that this interaction between magnetism and phonon frequencies can be fully described by the previously proposed spin-phonon coupling model [C. J. Fennie and K. M. Rabe, Phys. Rev. Lett. 96, 205505 (2006)] that includes only the nearest neighbormore » exchange. In conclusion, using this model with materials specific parameters calculated from first principles, we provide additional insights into the physics of spin-phonon coupling in this intriguing family of compounds.« less

  3. Dynamical control of electron-phonon interactions with high-frequency light

    NASA Astrophysics Data System (ADS)

    Dutreix, C.; Katsnelson, M. I.

    2017-01-01

    This work addresses the one-dimensional problem of Bloch electrons when they are rapidly driven by a homogeneous time-periodic light and linearly coupled to vibrational modes. Starting from a generic time-periodic electron-phonon Hamiltonian, we derive a time-independent effective Hamiltonian that describes the stroboscopic dynamics up to the third order in the high-frequency limit. This yields nonequilibrium corrections to the electron-phonon coupling that are controllable dynamically via the driving strength. This shows in particular that local Holstein interactions in equilibrium are corrected by antisymmetric Peierls interactions out of equilibrium, as well as by phonon-assisted hopping processes that make the dynamical Wannier-Stark localization of Bloch electrons impossible. Subsequently, we revisit the Holstein polaron problem out of equilibrium in terms of effective Green's functions, and specify explicitly how the binding energy and effective mass of the polaron can be controlled dynamically. These tunable properties are reported within the weak- and strong-coupling regimes since both can be visited within the same material when varying the driving strength. This work provides some insight into controllable microscopic mechanisms that may be involved during the multicycle laser irradiations of organic molecular crystals in ultrafast pump-probe experiments, although it should also be suitable for realizations in shaken optical lattices of ultracold atoms.

  4. Pressure dependence of the optical phonon frequencies and the transverse effective charge in AlSb

    NASA Astrophysics Data System (ADS)

    Ves, S.; Strössner, K.; Cardona, M.

    1986-02-01

    The first order Raman scattering by TO and LO phonons has been measured in AlSb under hydrostatic' pressures up to its phase transition. The Raman frequencies increase nearly linear while the transverse effective charge e ∗T are compared with estimates based on pseudopotential and on LCAO calculation. In order to obtain from the measured pressure dependence the corresponding volume coefficients the bulk modulus B O and its pressure derivative BOˌ = {dBO}/{dP} was measured by energy-dispersive X-ray diffraction (B O = 55.1 GPa and BOˌ = 4.55 ).

  5. Sensitive Phonon-Based Probe for Structure Identification of 1T' MoTe 2

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhou, Lin; Huang, Shengxi; Tatsumi, Yuki

    In this work, by combining transmission electron microscopy and polarized Raman spectroscopy for the 1T' MoTe 2 flakes with different thicknesses, we found that the polarization dependence of Raman intensity is given as a function of excitation laser wavelength, phonon symmetry, and phonon frequency, but has weak dependence on the flake thickness from few-layer to multilayer. Additionally, the frequency of Raman peaks and the relative Raman intensity are sensitive to flake thickness, which manifests Raman spectroscopy as an effective probe for thickness of 1T' MoTe 2. This work demonstrates that polarized Raman spectroscopy is a powerful and nondestructive method tomore » quickly identify the crystal structure and thickness of 1T' MoTe 2 simultaneously, which opens up opportunities for the in situ probe of anisotropic properties and broad applications of this novel material.« less

  6. Sensitive Phonon-Based Probe for Structure Identification of 1T' MoTe 2

    DOE PAGES

    Zhou, Lin; Huang, Shengxi; Tatsumi, Yuki; ...

    2017-05-25

    In this work, by combining transmission electron microscopy and polarized Raman spectroscopy for the 1T' MoTe 2 flakes with different thicknesses, we found that the polarization dependence of Raman intensity is given as a function of excitation laser wavelength, phonon symmetry, and phonon frequency, but has weak dependence on the flake thickness from few-layer to multilayer. Additionally, the frequency of Raman peaks and the relative Raman intensity are sensitive to flake thickness, which manifests Raman spectroscopy as an effective probe for thickness of 1T' MoTe 2. This work demonstrates that polarized Raman spectroscopy is a powerful and nondestructive method tomore » quickly identify the crystal structure and thickness of 1T' MoTe 2 simultaneously, which opens up opportunities for the in situ probe of anisotropic properties and broad applications of this novel material.« less

  7. Close correlation between magnetic properties and the soft phonon mode of the structural transition in BaFe 2 As 2 and SrFe 2 As 2

    DOE PAGES

    Parshall, D.; Pintschovius, L.; Niedziela, Jennifer L.; ...

    2015-04-27

    Pmore » arent compounds of Fe-based superconductors undergo a structural phase transition from a tetragonal to an orthorhombic structure. We investigated the temperature dependence of the frequencies of TA phonons that extrapolate to the shear vibrational mode at the zone center, which corresponds to the orthorhombic deformation of the crystal structure at low temperatures in BaFe 2 As 2 and SrFe 2 As 2 . We found that acoustic phonons at small wave vectors soften gradually towards the transition from high temperatures, tracking the increase of the size of slowly fluctuating magnetic domains. On cooling below the transition to base temperature the phonons harden, following the square of the magnetic moment (which we find is proportional to the anisotropy gap). Finally, our results provide evidence for close correlation between magnetic and phonon properties in Fe-based superconductors.« less

  8. Experimental Study of Electron and Phonon Dynamics in Nanoscale Materials by Ultrafast Laser Time-Domain Spectroscopy

    NASA Astrophysics Data System (ADS)

    Shen, Xiaohan

    With the rapid advances in the development of nanotechnology, nowadays, the sizes of elementary unit, i.e. transistor, of micro- and nanoelectronic devices are well deep into nanoscale. For the pursuit of cheaper and faster nanoscale electronic devices, the size of transistors keeps scaling down. As the miniaturization of the nanoelectronic devices, the electrical resistivity increases dramatically, resulting rapid growth in the heat generation. The heat generation and limited thermal dissipation in nanoscale materials have become a critical problem in the development of the next generation nanoelectronic devices. Copper (Cu) is widely used conducting material in nanoelectronic devices, and the electron-phonon scattering is the dominant contributor to the resistivity in Cu nanowires at room temperature. Meanwhile, phonons are the main carriers of heat in insulators, intrinsic and lightly doped semiconductors. The thermal transport is an ensemble of phonon transport, which strongly depends on the phonon frequency. In addition, the phonon transport in nanoscale materials can behave fundamentally different than in bulk materials, because of the spatial confinement. However, the size effect on electron-phonon scattering and frequency dependent phonon transport in nanoscale materials remain largely unexplored, due to the lack of suitable experimental techniques. This thesis is mainly focusing on the study of carrier dynamics and acoustic phonon transport in nanoscale materials. The weak photothermal interaction in Cu makes thermoreflectance measurement difficult, we rather measured the reflectivity change of Cu induced by absorption variation. We have developed a method to separately measure the processes of electron-electron scattering and electron-phonon scattering in epitaxial Cu films by monitoring the transient reflectivity signal using the resonant probe with particular wavelengths. The enhancement on electron-phonon scattering in epitaxial Cu films with thickness

  9. Phonon Self-Energy Corrections to Nonzero Wave-Vector Phonon Modes in Single-Layer Graphene

    NASA Astrophysics Data System (ADS)

    Araujo, P. T.; Mafra, D. L.; Sato, K.; Saito, R.; Kong, J.; Dresselhaus, M. S.

    2012-07-01

    Phonon self-energy corrections have mostly been studied theoretically and experimentally for phonon modes with zone-center (q=0) wave vectors. Here, gate-modulated Raman scattering is used to study phonons of a single layer of graphene originating from a double-resonant Raman process with q≠0. The observed phonon renormalization effects are different from what is observed for the zone-center q=0 case. To explain our experimental findings, we explored the phonon self-energy for the phonons with nonzero wave vectors (q≠0) in single-layer graphene in which the frequencies and decay widths are expected to behave oppositely to the behavior observed in the corresponding zone-center q=0 processes. Within this framework, we resolve the identification of the phonon modes contributing to the G⋆ Raman feature at 2450cm-1 to include the iTO+LA combination modes with q≠0 and also the 2iTO overtone modes with q=0, showing both to be associated with wave vectors near the high symmetry point K in the Brillouin zone.

  10. Research on low-frequency band gap property of a hybrid phononic crystal

    NASA Astrophysics Data System (ADS)

    Dong, Yake; Yao, Hong; Du, Jun; Zhao, Jingbo; Chao, Ding; Wang, Benchi

    2018-05-01

    A hybrid phononic crystal has been investigated. The characteristic frequency of XY mode, transmission loss and displacement vector have been calculated by the finite element method. There are Bragg scattering band gap and local resonance band gap in the band structures. We studied the influence factors of band gap. There are many flat bands in the eigenfrequencies curve. There are many flat bands in the curve. The band gap covers a large range in low frequency. The band gaps cover more than 95% below 3000 Hz.

  11. Attenuation process of the longitudinal phonon mode in a TeO2 crystal in the 20-GHz range

    NASA Astrophysics Data System (ADS)

    Ohno, S.; Sonehara, T.; Tatsu, E.; Koreeda, A.; Saikan, S.

    2017-06-01

    We experimentally investigated the hypersonic attenuation process of a longitudinal mode (L-mode) sound wave in TeO2 from room temperature to a lower temperature using Brillouin scattering and impulsive stimulated thermal scattering (ISTS) measurements. For precise measurement of the Brillouin linewidth at low temperatures, whereby the mean free path of the phonon becomes longer than the sample length, it is indispensable that the phonon should propagate along the phonon-resonance direction. To figure out the suitable direction, we defined two indices characterizing a degree of phonon divergence and a purity of propagation direction. The best direction that we found from these indices is [110] direction in TeO2, and it was used to discuss the temperature and frequency dependences of Brillouin spectra. We extracted the temperature dependence of the attenuation rate of T4 from the modulated Brillouin spectra due to the phonon resonance below Debye temperature. The frequency dependence ω1 of the hypersonic attenuation was also estimated from the polarization dependence of the Brillouin linewidth. Theoretically, it predicted that the L-mode phonon attenuation at low temperatures in TeO2 is a result of Herring's process, which shows the attenuation behavior of ω2T3 . The ω1T4 dependence is not allowed in Herring's process but is allowed by the L +L →L process, which has been considered to be forbidden so far. We evaluated the thermal phonon lifetime using ISTS and established that it was finite even at 20 K, thereby allowing the L +L →L process. Therefore, we conclude that the L +L →L process dominates the attenuation of an L-mode phonon in TeO2 in the low-temperature region.

  12. Infrared dielectric functions and optical phonons of wurtzite Y x Al1-x N (0  ⩽  x  ⩽  0.22)

    NASA Astrophysics Data System (ADS)

    Ben Sedrine, N.; Zukauskaite, A.; Birch, J.; Jensen, J.; Hultman, L.; Schöche, S.; Schubert, M.; Darakchieva, V.

    2015-10-01

    YAlN is a new member of the group-III nitride family with potential for applications in next generation piezoelectric and light emitting devices. We report the infrared dielectric functions and optical phonons of wurtzite (0001) Y x Al1-x N epitaxial films with 0  ⩽  x  ⩽  0.22. The films are grown by magnetron sputtering epitaxy on c-plane Al2O3 and their phonon properties are investigated using infrared spectroscopic ellipsometry and Raman scattering spectroscopy. The infrared-active E 1(TO) and LO, and the Raman active E 2 phonons are found to exhibit one-mode behavior, which is discussed in the framework of the MREI model. The compositional dependencies of the E 1(TO), E 2 and LO phonon frequencies, the high-frequency limit of the dielectric constant, {{\\varepsilon}∞} , the static dielectric constant, {{\\varepsilon}0} , and the Born effective charge Z B are established and discussed.

  13. Ternary mixed crystal effects on interface optical phonon and electron-phonon coupling in zinc-blende GaN/AlxGa1-xN spherical quantum dots

    NASA Astrophysics Data System (ADS)

    Huang, Wen Deng; Chen, Guang De; Yuan, Zhao Lin; Yang, Chuang Hua; Ye, Hong Gang; Wu, Ye Long

    2016-02-01

    The theoretical investigations of the interface optical phonons, electron-phonon couplings and its ternary mixed effects in zinc-blende spherical quantum dots are obtained by using the dielectric continuum model and modified random-element isodisplacement model. The features of dispersion curves, electron-phonon coupling strengths, and its ternary mixed effects for interface optical phonons in a single zinc-blende GaN/AlxGa1-xN spherical quantum dot are calculated and discussed in detail. The numerical results show that there are three branches of interface optical phonons. One branch exists in low frequency region; another two branches exist in high frequency region. The interface optical phonons with small quantum number l have more important contributions to the electron-phonon interactions. It is also found that ternary mixed effects have important influences on the interface optical phonon properties in a single zinc-blende GaN/AlxGa1-xN quantum dot. With the increase of Al component, the interface optical phonon frequencies appear linear changes, and the electron-phonon coupling strengths appear non-linear changes in high frequency region. But in low frequency region, the frequencies appear non-linear changes, and the electron-phonon coupling strengths appear linear changes.

  14. Surface phonons in the topological insulators Bi2Se3 and Bi2Te3

    NASA Astrophysics Data System (ADS)

    Boulares, Ibrahim; Shi, Guangsha; Kioupakis, Emmanouil; Lošťák, Petr; Uher, Ctirad; Merlin, Roberto

    2018-03-01

    Raman scattering [K. M. F. Shahil et al., Appl. Phys. Lett. 96, 153103 (2010), V. Gnezdilov et al., Phys. Rev. B 84, 195118 (2011) and H. -H. Kung et al., Phys. Rev. B 95, 245406 (2017)], inelastic helium scattering [X. Zhu et al., Phys. Rev. Lett. 107, 186102 (2011)] and photoemission experiments [J. A. Sobota et al., Phys. Rev. Lett. 113, 157401 (2014)] on the topological insulators Bi2Se3 and Bi2Te3 show features in the range ∼ 50-160 cm-1, which have been assigned alternatively to Raman-forbidden, bulk infrared modes arising from symmetry breaking at the surface or to surface phonons, which couple to the topologically protected electronic states. Here, we present temperature- and wavelength- dependent Raman studies showing additional modes we ascribe to surface phonons in both Bi2Se3 and Bi2Te3. Our assignment is supported by density functional theory calculations revealing surface phonons at frequencies close to those of the extra peaks in the Raman data. The theoretical results also indicate that these modes are not a consequence of spin-orbit coupling and, thus, that their occurrence is unrelated to the topological properties of these materials.

  15. REVIEW ARTICLE: Phonons and magnetoelectric interactions in Ni3V2O8

    NASA Astrophysics Data System (ADS)

    Yildirim, T.; Vergara, L. I.; Íñiguez, Jorge; Musfeldt, J. L.; Harris, A. B.; Rogado, N.; Cava, R. J.; Yen, F.; Chaudhury, R. P.; Lorenz, B.

    2008-10-01

    We present a detailed study of the zone-center phonons and magnetoelectric interactions in Ni3V2O8. Using combined neutron scattering, polarized infrared (IR) measurements and first-principles LDA+U calculations, we successfully assigned all IR-active modes, including eleven B2u phonons which can induce the observed spontaneous electric polarization. We also calculated the Born-effective charges and the IR intensities which are in surprisingly good agreement with the experimental data. Among the eleven B2u phonons, we find that only a few of them can actually induce a significant dipole moment. The exchange interactions up to a cutoff of 6.5 Å are also calculated within the LDA+U approach with different values of U for Ni, V and O atoms. We find that LSDA (i.e. U = 0) gives excellent results concerning the optimized atomic positions, bandgap and phonon energies. However, the magnitudes of the exchange constants are too large compared to the experimental Curie-Weiss constant, Θ. Including U for Ni corrects the magnitude of the superexchange constants but opens a too large electronic bandgap. We observe that including correlation at the O site is very important to get simultaneously the correct phonon energies, bandgap and exchange constants. In particular, the nearest and next-nearest exchange constants along the Ni-spine sites result in incommensurate spin ordering with a wavevector that is consistent with the experimental data. Our results also explain how the antiferromagnetic coupling between sublattices in the b and c directions is consistent with the relatively small observed value of Θ. We also find that, regardless of the values of U used, we always get the same five exchange constants that are significantly larger than the rest. Finally, we discuss how the B2u phonons and the spin structure combine to yield the observed spontaneous polarization. We present a simple phenomenological model which shows how trilinear (and quartic) couplings of one (or two

  16. Lattice anharmonicity, phonon dispersion, and thermal conductivity of PbTe studied by the phonon quasiparticle approach

    NASA Astrophysics Data System (ADS)

    Lu, Yong; Sun, Tao; Zhang, Dong-Bo

    2018-05-01

    We investigated the vibrational property of lead telluride (PbTe) with a focus on lattice anharmonicity at moderate temperatures (300 phonon quasiparticle approach which combines first-principles molecular dynamics and lattice dynamics. The calculated anharmonic phonon dispersions are strongly temperature dependent and some phonon modes adopt giant frequency shifts, e.g., transverse optical modes in the long-wavlength regime. As a result, we witness the avoided crossing between transverse optical modes and longitudinal acoustic modes at elevated temperature, in good agreement with experimentation and available theoretical studies. These results, together with the large root-mean-square displacements of atoms, reveal a strong anharmonic effect in PbTe. The obtained phonon lifetimes allow studies of transport properties. For considered temperatures, the phonon mean free paths can be shorter than lattice constants at relatively high temperature, especially for optical modes. This finding goes against the widely employed minimal phonon mean free path concept. As such, the calculated lattice thermal conductivity of PbTe, which is indeed relatively small, does not have the prescribed minima at high temperature, showcasing the breakdown of the minimal mean free path theory. Our study provides a basis for delineating vibrational and transport properties of PbTe and other thermoelectric materials within the framework of the phonon gas model.

  17. Temperature- and Phase-Dependent Phonon Renormalization in 1T'-MoS2.

    PubMed

    Tan, Sherman Jun Rong; Sarkar, Soumya; Zhao, Xiaoxu; Luo, Xin; Luo, Yong Zheng; Poh, Sock Mui; Abdelwahab, Ibrahim; Zhou, Wu; Venkatesan, Thirumalai; Chen, Wei; Quek, Su Ying; Loh, Kian Ping

    2018-05-22

    Polymorph engineering of 2H-MoS 2 , which can be achieved by alkali metal intercalation to obtain either the mixed 2H/1T' phases or a homogeneous 1T' phase, has received wide interest recently, since this serves as an effective route to tune the electrical and catalytic properties of MoS 2 . As opposed to an idealized single crystal-to-single crystal phase conversion, the 2H to 1T' phase conversion results in crystal domain size reduction as well as strained lattices, although how these develop with composition is not well understood. Herein, the evolution of the phonon modes in Li-intercalated 1T'-MoS 2 (Li x MoS 2 ) are investigated as a function of different 1T'-2H compositions. We observed that the strain evolution in the mixed phases is revealed by the softening of four Raman modes, B g ( J 1 ), A g ( J 3 ), E 1 2g , and A 1g , with increasing 1T' phase composition. Additionally, the first-order temperature coefficients of the 1T' phonon mode vary linearly with increasing 1T' composition, which is explained by increased electron-phonon and strain-phonon coupling.

  18. Polarization-controlled coherent phonon generation in acoustoplasmonic metasurfaces

    NASA Astrophysics Data System (ADS)

    Lanzillotti-Kimura, Norberto D.; O'Brien, Kevin P.; Rho, Junsuk; Suchowski, Haim; Yin, Xiaobo; Zhang, Xiang

    2018-06-01

    Acoustic vibrations at the nanoscale (GHz-THz frequencies) and their interactions with electrons, photons, and other excitations are the heart of an emerging field in physics: nanophononics. The design of ultrahigh frequency acoustic-phonon transducers, with tunable frequency, and easy to integrate in complex systems is still an open and challenging problem for the development of acoustic nanoscopies and phonon lasers. Here we show how an optimized plasmonic metasurface can act as a high-frequency phonon transducer. We report pump-probe experiments in metasurfaces composed of an array of gold nanostructures, revealing that such arrays can act as efficient and tunable photon-phonon transducers, with a strong spectral dependence on the excitation rate and laser polarization. We anticipate our work to be the starting point for the engineering of phononic metasurfaces based on plasmonic nanostructures.

  19. Dielectric and phonon spectroscopy of Nb-doped Pb(Zr1-yTiy)O3-CoFe2O4 composites

    NASA Astrophysics Data System (ADS)

    Sakanas, Aurimas; Nuzhnyy, Dmitry; Grigalaitis, Robertas; Banys, Juras; Borodavka, Fedir; Kamba, Stanislav; Ciomaga, Cristina Elena; Mitoseriu, Liliana

    2017-06-01

    Broad-band dielectric and phonon response of Nb-doped (1-x)Pb(Zr1-yTiy)O3-xCoFe2O4 composites with x = 10%-30% was investigated between 0.1 MHz and 100 THz. At room temperature, a broad distribution of relaxation times causes a constant dielectric loss below 1 GHz. Above room temperature, a strong Maxwell-Wagner relaxation process dominates below 1 GHz due to the conductivity of CoFe2O4 (CF). Two additional relaxation processes are seen between 1 GHz and 1 THz. The lower-frequency one, coming from domain wall motion, disappears above TC ≈ 650 K. The higher-frequency component slows down on heating towards TC, because it is the central mode, which drives the ferroelectric phase transition. Time-domain THz transmission and infrared reflectivity spectra reveal a mixture of polar phonons from both ferroelectric Nb-doped Pb(Zr,Ti)O3 (PZTN) and magnetic CoFe2O4 (CF) components, while the micro-Raman scattering spectra allow to study phonons from both components separately. Similar temperature behavior of phonons as in the pure PZTN and CF was observed. While in CoFe2O4 the Raman-active phonons gradually reduce their intensities on heating due to increasing conductivity and related reduced Raman-scattering volume, some phonons in PZTN disappear above TC due to change of selection rules in the paraelectric phase. Like in the pure Pb(Zr,Ti)O3, the soft phonon and central modes were also observed.

  20. Mapping momentum-dependent electron-phonon coupling and nonequilibrium phonon dynamics with ultrafast electron diffuse scattering

    NASA Astrophysics Data System (ADS)

    Stern, Mark J.; René de Cotret, Laurent P.; Otto, Martin R.; Chatelain, Robert P.; Boisvert, Jean-Philippe; Sutton, Mark; Siwick, Bradley J.

    2018-04-01

    Despite their fundamental role in determining material properties, detailed momentum-dependent information on the strength of electron-phonon and phonon-phonon coupling (EPC and PPC, respectively) across the entire Brillouin zone has remained elusive. Here we demonstrate that ultrafast electron diffuse scattering (UEDS) directly provides such information. By exploiting symmetry-based selection rules and time resolution, scattering from different phonon branches can be distinguished even without energy resolution. Using graphite as a model system, we show that UEDS patterns map the relative EPC and PPC strength through their profound sensitivity to photoinduced changes in phonon populations. We measure strong EPC to the K -point TO phonon of A1' symmetry (K -A1' ) and along the entire TO branch between Γ -K , not only to the Γ -E2 g phonon. We also determine that the subsequent phonon relaxation of these strongly coupled optical phonons involve three stages: decay via several identifiable channels to TA and LA phonons (1 -2 ps), intraband thermalization of the non-equilibrium TA/LA phonon populations (30 -40 ps) and interband relaxation of the TA/LA modes (115 ps). Combining UEDS with ultrafast angle-resolved photoelectron spectroscopy will yield a complete picture of the dynamics within and between electron and phonon subsystems, helping to unravel complex phases in which the intertwined nature of these systems has a strong influence on emergent properties.

  1. The Influence of Phonons and Phonon Decay on the Optical Properties of GaN

    NASA Astrophysics Data System (ADS)

    Song, D. Y.; Basavaraj, M.; Nikishin, S. A.; Holtz, M.; Soukhoveev, V.; Usikov, A.; Dmitriev, V.

    2006-03-01

    The temperature dependences of vibrational and optical properties of high-quality GaN are studied using Raman and photoluminescence (PL) spectroscopies in the range 20 to 325 K. The Raman-active A1(LO) phonon has temperature dependence described well by combined two- and three-phonon decay. The temperature dependences of E2^2 phonon are almost entirely dominated by the thermal expansion, and the contribution of three-phonon decay process is very small throughout interested temperature range. The shallow neutral donor-bound exciton (D^0,X) and two free excitons (XA and XB) are observed at low temperatrue PL spectra. Also seen are two A1(LO) phonon sidebands (PSBs), originating from the XB free exciton, with the characteristic asymmetry attributed to interactions between discrete and continuum states. Analysis of the band-edge excitons reveals that energy gap shrinkage and exciton linewidths are completely described based on electron-phonon interactions with phonon properties consistent with the Raman analysis. First and second PSBs have temperature dependence associated with the A1(LO) phonon. The shift, broadening, and asymmetry of the PSBs are explained by Segall-Mahan theory adding the decay mechanism of A1(LO) phonon and the exciton broadening from electron-phonon interactions. Work at Texas Tech University supported by National Science Foundation grant ECS-0323640.

  2. Electronic properties with and without electron-phonon coupling

    NASA Astrophysics Data System (ADS)

    Allen, Philip

    To decent approximation, electronic properties P of solids have a temperature dependence of the type ΔP(T) = Σ (dP/dωi) [ni(T) +1/2], where ωi is the frequency of the ith vibrational normal mode, and ni is the Bose-Einstein equilibrium occupation of the mode. The coupling constant (dP/dωi) comes from electron-phonon interactions. At T =0, the ``1/2'' gives the zero-point electron-phonon renormalization of the property P, and at T>ΘD, the total shift ΔP becomes linear in T, extrapolating toward ΔP =0 at T =0. This form of T-dependence arises from the adiabatic or Born-Oppenheimer approximation, where electrons essentially ``don't notice'' the time-dependence of thermal lattice fluctuations. In other words, the leading order theory for P is ΔP(T) = Σ (d2P/duiduj), responding to the thermal average mean square lattice displacement, as if it were static. There are two situations where non-adiabatic effects alter things. (1) In metals at low T, the thermal smearing kBT of the sharp Fermi edge gets small (ωi <phonon energy to be included in perturbative denominators. (2) In insulators with polar phonons, Froehlich polaron effects enter, and k-integrals diverge unless phonon energies are kept. Most non-adiabatic effects become unimportant by room temperature, but the low T consequences can be very interesting (e.g. superconductivity.) This talk will discuss the confusing history and predict some future developments in this field. invited session: ''Predictive Modeling of Electron-Phonon Coupling in Condensed-Matter Physics'' My talk will be coordinated with that of Xavier Gonze. It would be best to schedule them back-to-back.

  3. A hybrid phononic crystal for roof application.

    PubMed

    Wan, Qingmian; Shao, Rong

    2017-11-01

    Phononic crystal is a type of acoustic material, and the study of phononic crystals has attracted great attention from national research institutions. Meanwhile, noise reduction in the low-frequency range has always encountered difficulties and troubles in the engineering field. In order to obtain a unique and effective low-frequency noise reduction method, in this paper a low frequency noise attenuation system based on phononic crystal structure is proposed and demonstrated. The finite element simulation of the band gap is consistent with the final test results. The effects of structure parameters on the band gaps were studied by changing the structure parameters and the band gaps can be controlled by suitably tuning structure parameters. The structure and results provide a good support for phononic crystal structures engineering application.

  4. Monolithic phononic crystals with a surface acoustic band gap from surface phonon-polariton coupling.

    PubMed

    Yudistira, D; Boes, A; Djafari-Rouhani, B; Pennec, Y; Yeo, L Y; Mitchell, A; Friend, J R

    2014-11-21

    We theoretically and experimentally demonstrate the existence of complete surface acoustic wave band gaps in surface phonon-polariton phononic crystals, in a completely monolithic structure formed from a two-dimensional honeycomb array of hexagonal shape domain-inverted inclusions in single crystal piezoelectric Z-cut lithium niobate. The band gaps appear at a frequency of about twice the Bragg band gap at the center of the Brillouin zone, formed through phonon-polariton coupling. The structure is mechanically, electromagnetically, and topographically homogeneous, without any physical alteration of the surface, offering an ideal platform for many acoustic wave applications for photonics, phononics, and microfluidics.

  5. Study of phonons in irradiated epitaxial thin films of UO2

    NASA Astrophysics Data System (ADS)

    Rennie, S.; Lawrence Bright, E.; Darnbrough, J. E.; Paolasini, L.; Bosak, A.; Smith, A. D.; Mason, N.; Lander, G. H.; Springell, R.

    2018-06-01

    We report experiments to determine the effect of radiation damage on the phonon spectra of the most common nuclear fuel, UO2. We irradiated thin (˜300 nm) epitaxial films of UO2 with 2.1 MeV He2 + ions to 0.15 displacements per atom and a lattice swelling of Δ a /a ˜0.6 % and then used grazing-incidence inelastic x-ray scattering to measure the phonon spectrum. We succeeded in observing the acoustic modes, both transverse and longitudinal, across the Brillouin zone. The phonon energies, in both the pristine and irradiated samples, are unchanged from those observed in bulk material. On the other hand, the phonon linewidths (inversely proportional to the phonon lifetimes) show a significant broadening when comparing the pristine and irradiated samples. This effect is shown to increase with phonon energy across the Brillouin zone. The decreases in the phonon lifetimes of the acoustic modes are roughly consistent with a 50% reduction in the thermal conductivity.

  6. Inelastic x-ray scattering measurements of phonon dynamics in URu 2Si 2

    DOE PAGES

    Gardner, D. R.; Bonnoit, C. J.; Chisnell, R.; ...

    2016-02-11

    In this paper, we study high-resolution inelastic x-ray scattering measurements of the acoustic phonons of URu 2Si 2. At all temperatures, the longitudinal acoustic phonon linewidths are anomalously broad at small wave vectors revealing a previously unknown anharmonicity. The phonon modes do not change significantly upon cooling into the hidden order phase. In addition, our data suggest that the increase in thermal conductivity in the hidden order phase cannot be driven by a change in phonon dispersions or lifetimes. Hence, the phonon contribution to the thermal conductivity is likely much less significant compared to that of the magnetic excitations inmore » the low temperature phase.« less

  7. The Role of Interfacial Electronic Properties on Phonon Transport in Two-Dimensional MoS 2 on Metal Substrates

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yan, Zhequan; Chen, Liang; Yoon, Mina

    2016-11-08

    In this paper, we investigate the role of interfacial electronic properties on the phonon transport in two-dimensional MoS 2 adsorbed on metal substrates (Au and Sc) using first-principles density functional theory and the atomistic Green’s function method. Our study reveals that the different degree of orbital hybridization and electronic charge distribution between MoS 2 and metal substrates play a significant role in determining the overall phonon–phonon coupling and phonon transmission. The charge transfer caused by the adsorption of MoS 2 on Sc substrate can significantly weaken the Mo–S bond strength and change the phonon properties of MoS 2, which resultmore » in a significant change in thermal boundary conductance (TBC) from one lattice-stacking configuration to another for same metallic substrate. In a lattice-stacking configuration of MoS 2/Sc, weakening of the Mo–S bond strength due to charge redistribution results in decrease in the force constant between Mo and S atoms and substantial redistribution of phonon density of states to low-frequency region which affects overall phonon transmission leading to 60% decrease in TBC compared to another configuration of MoS 2/Sc. Strong chemical coupling between MoS 2 and the Sc substrate leads to a significantly (~19 times) higher TBC than that of the weakly bound MoS 2/Au system. Our findings demonstrate the inherent connection among the interfacial electronic structure, the phonon distribution, and TBC, which helps us understand the mechanism of phonon transport at the MoS 2/metal interfaces. Finally, the results provide insights for the future design of MoS 2-based electronics and a way of enhancing heat dissipation at the interfaces of MoS 2-based nanoelectronic devices.« less

  8. Electronic structure and electron-phonon coupling in TiH$$_2$$

    DOE PAGES

    Shanavas, Kavungal Veedu; Lindsay, Lucas R.; Parker, David S.

    2016-06-15

    Calculations using first principles methods and strong coupling theory are carried out to understand the electronic structure and superconductivity in cubic and tetragonal TiHmore » $$_2$$. A large electronic density of states at the Fermi level in the cubic phase arises from Ti-$$t_{2g}$$ states and leads to a structural instability against tetragonal distortion at low temperatures. However, constraining the in-plane lattice constants diminishes the energy gain associated with the tetragonal distortion, allowing the cubic phase to be stable at low temperatures. Furthermore, calculated phonon dispersions show decoupled acoustic and optic modes arising from Ti and H vibrations, respectively and frequencies of optic modes to be rather high. The cubic phase has a large electron-phonon coupling parameter $$\\lambda$$ and critical temperature of several K. Contribution of the hydrogen sublattice to $$\\lambda$$ is found to be small in this material, which we understand from strong coupling theory to be due to the small H-$s$ DOS at the Fermi level and high energy of hydrogen modes at the tetrahedral sites.« less

  9. Edge waves and resonances in two-dimensional phononic crystal plates

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hsu, Jin-Chen, E-mail: hsujc@yuntech.edu.tw; Hsu, Chih-Hsun

    2015-05-07

    We present a numerical study on phononic band gaps and resonances occurring at the edge of a semi-infinite two-dimensional (2D) phononic crystal plate. The edge supports localized edge waves coupling to evanescent phononic plate modes that decay exponentially into the semi-infinite phononic crystal plate. The band-gap range and the number of edge-wave eigenmodes can be tailored by tuning the distance between the edge and the semi-infinite 2D phononic lattice. As a result, a phononic band gap for simultaneous edge waves and plate waves is created, and phononic cavities beside the edge can be built to support high-frequency edge resonances. Wemore » design an L3 edge cavity and analyze its resonance characteristics. Based on the band gap, high quality factor and strong confinement of resonant edge modes are achieved. The results enable enhanced control over acoustic energy flow in phononic crystal plates, which can be used in designing micro and nanoscale resonant devices and coupling of edge resonances to other types of phononic or photonic crystal cavities.« less

  10. Anharmonicities in phonon combinations and overtones in bilayered graphene: A temperature-dependent approach

    NASA Astrophysics Data System (ADS)

    Araujo, P. T.

    2018-05-01

    This paper studies phonon anharmonicities related to the phonon combination LOZO' and phonon overtone 2ZO in a A B -stacked bilayer graphene (2LG). The results explain in detail the rule of the ZO' layer breathing mode in the 2LG electron and phonon relaxations, especially at temperatures above 543 K, where anomalous behaviors are observed for the LOZO' frequencies, linewidths (and therefore, lifetimes), and integrated areas. Surprisingly, the 2ZO frequencies and linewidths do not show any dependence with temperature (ZO is the out-of-phase vibration of the layers). This result is explained via nonsymmetric lattice distortions and via the almost null Gr üneisen parameter associated to the ZO mode. Recently, the correct assignments for the phonon combination and overtone modes studied here have been put in debate once again in a theoretical work by Popov [Carbon 91, 436 (2015), 10.1016/j.carbon.2015.05.020]. This work shows how temperature-dependent Raman spectroscopy is used to propose a solution for these recent assignment problems. Finally, although 2LG is the system used here, the measurements and discussions to approach electron and phonon relaxations have the potential to be extended to any other multilayered structure that presents ZO'- and ZO-like phonon modes.

  11. Isotope effect on electron-phonon interaction in the multiband superconductor MgB 2

    DOE PAGES

    Mou, Daixiang; Manni, Soham; Taufour, Valentin; ...

    2016-04-07

    We investigate the effect of isotope substitution on the electron-phonon interaction in the multiband superconductor MgB 2 using tunable laser-based angle-resolved photoemission spectroscopy. The kink structure around 70 meV in the σ band, which is caused by electron coupling to the E 2g phonon mode, is shifted to higher binding energy by ~3.5 meV in Mg 10B 2 and the shift is not affected by superconducting transition. Furthermore, these results serve as the benchmark for investigations of isotope effects in known, unconventional superconductors and newly discovered superconductors where the origin of pairing is unknown.

  12. Observation of coherent optical phonons excited by femtosecond laser radiation in Sb films by ultrafast electron diffraction method

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mironov, B. N.; Kompanets, V. O.; Aseev, S. A., E-mail: isanfemto@yandex.ru

    2017-03-15

    The generation of coherent optical phonons in a polycrystalline antimony film sample has been investigated using femtosecond electron diffraction method. Phonon vibrations have been induced in the Sb sample by the main harmonic of a femtosecond Ti:Sa laser (λ = 800 nm) and probed by a pulsed ultrashort photoelectron beam synchronized with the pump laser. The diffraction patterns recorded at different times relative to the pump laser pulse display oscillations of electron diffraction intensity corresponding to the frequencies of vibrations of optical phonons: totally symmetric (A{sub 1g}) and twofold degenerate (E{sub g}) phonon modes. The frequencies that correspond to combinationsmore » of these phonon modes in the Sb sample have also been experimentally observed.« less

  13. Effect of confinement on anharmonic phonon scattering and thermal conductivity in pristine silicon nanowires

    NASA Astrophysics Data System (ADS)

    Rashid, Zahid; Zhu, Liyan; Li, Wu

    2018-02-01

    The effect of confinement on the anharmonic phonon scattering rates and the consequences thereof on the thermal transport properties in ultrathin silicon nanowires with a diameter of 1-4 nm have been characterized using atomistic simulations and the phonon Boltzmann transport equation. The phonon density of states (PDOS) for ultrathin nanowires approaches a constant value in the vicinity of the Γ point and increases with decreasing diameter, which indicates the increasing importance of the low-frequency phonons as heat carriers. The anharmonic phonon scattering becomes dramatically enhanced with decreasing thickness of the nanowires. In the thinnest nanowire, the scattering rates for phonons above 1 THz are one order of magnitude higher than those in the bulk Si. Below 1 THz, the increase in scattering rates is even much more appreciable. Our numerical calculations revealed that the scattering rates for transverse (longitudinal) acoustic modes follow √{ω } (1 /√{ω } ) dependence at the low-frequency limit, whereas those for the degenerate flexural modes asymptotically approach a constant value. In addition, the group velocities of phonons are reduced compared with bulk Si except for low-frequency phonons (<1 -2 THz depending on the thickness of the nanowires). The increased scattering rates combined with reduced group velocities lead to a severely reduced thermal conductivity contribution from the high-frequency phonons. Although the thermal conductivity contributed by those phonons with low frequencies is instead increased mainly due to the increased PDOS, the total thermal conductivity is still reduced compared to that of the bulk. This work reveals an unexplored mechanism to understand the measured ultralow thermal conductivity of silicon nanowires.

  14. Phonon Raman spectra of colloidal CdTe nanocrystals: effect of size, non-stoichiometry and ligand exchange

    PubMed Central

    2011-01-01

    Resonant Raman study reveals the noticeable effect of the ligand exchange on the nanocrystal (NC) surface onto the phonon spectra of colloidal CdTe NC of different size and composition. The oleic acid ligand exchange for pyridine ones was found to change noticeably the position and width of the longitudinal optical (LO) phonon mode, as well as its intensity ratio to overtones. The broad shoulder above the LO peak frequency was enhanced and sharpened after pyridine treatment, as well as with decreasing NC size. The low-frequency mode around 100 cm-1 which is commonly related with the disorder-activated acoustical phonons appears in smaller NCs but is not enhanced after pyridine treatment. Surprisingly, the feature at low-frequency shoulder of the LO peak, commonly assigned to the surface optical phonon mode, was not sensitive to ligand exchange and concomitant close packing of the NCs. An increased structural disorder on the NC surface, strain and modified electron-phonon coupling is discussed as the possible reason of the observed changes in the phonon spectrum of ligand-exchanged CdTe NCs. PACS: 63.20.-e, 78.30.-j, 78.67.-n, 78.67.Bf PMID:21711581

  15. Broadband All-angle Negative Refraction by Optimized Phononic Crystals.

    PubMed

    Li, Yang Fan; Meng, Fei; Zhou, Shiwei; Lu, Ming-Hui; Huang, Xiaodong

    2017-08-07

    All-angle negative refraction (AANR) of phononic crystals and its frequency range are dependent on mechanical properties of constituent materials and their spatial distribution. So far, it is impossible to achieve the maximum operation frequency range of AANR theoretically. In this paper, we will present a numerical approach for designing a two-dimensional phononic crystal with broadband AANR without negative index. Through analyzing the mechanism of AANR, a topology optimization problem aiming at broadband AANR is established and solved by bi-directional evolutionary structural optimization method. The optimal steel/air phononic crystal exhibits a record AANR range over 20% and its refractive properties and focusing effects are further investigated. The results demonstrate the multifunctionality of a flat phononic slab including superlensing effect near upper AANR frequencies and self-collimation at lower AANR frequencies.

  16. Raman analysis of phonon modes in a short period AlN/GaN superlattice

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sarkar, Ketaki; Datta, Debopam; Gosztola, David J.

    AlN/GaN-based optoelectronic devices have been the subject of intense research underlying the commercialization of efficient devices. Areas of considerable interest are the study of their lattice dynamics, phonon transport, and electron-phonon interactions specific to the interface of these heterostructures which results in additional optical phonon modes known as interface phonon modes. In this study, the framework of the dielectric continuum model (DCM) has been used to compare and analyze the optical phonon modes obtained from experimental Raman scattering measurements on AlN/GaN short-period superlattices. We have observed the localized E2(high), A1(LO) and the E1(TO) modes in superlattice measurements at frequencies shiftedmore » from their bulk values. To the best of our knowledge, the nanostructures used in these studies are among the smallest yielding useful Raman signatures for the interface modes. In addition, we have also identified an additional spread of interface phonon modes in the TO range resulting from the superlattice periodicity. The Raman signature contribution from the underlying AlxGa1-xN ternary has also been observed and analyzed. A temperature calibrationwas done based on Stokes/anti-Stokes ratio of A1(LO) using Raman spectroscopy in a broad operating temperature range. Good agreement between the experimental results and theoretically calculated calibration plot predicted using Bose-Einstein statistics was obtained.« less

  17. Raman analysis of phonon modes in a short period AlN/GaN superlattice

    NASA Astrophysics Data System (ADS)

    Sarkar, Ketaki; Datta, Debopam; Gosztola, David J.; Shi, Fengyuan; Nicholls, Alan; Stroscio, Michael A.; Dutta, Mitra

    2018-03-01

    AlN/GaN-based optoelectronic devices have been the subject of intense research underlying the commercialization of efficient devices. Areas of considerable interest are the study of their lattice dynamics, phonon transport, and electron-phonon interactions specific to the interface of these heterostructures which results in additional optical phonon modes known as interface phonon modes. In this study, the framework of the dielectric continuum model (DCM) has been used to compare and analyze the optical phonon modes obtained from experimental Raman scattering measurements on AlN/GaN short-period superlattices. We have observed the localized E2(high), A1(LO) and the E1(TO) modes in superlattice measurements at frequencies shifted from their bulk values. To the best of our knowledge, the nanostructures used in these studies are among the smallest yielding useful Raman signatures for the interface modes. In addition, we have also identified an additional spread of interface phonon modes in the TO range resulting from the superlattice periodicity. The Raman signature contribution from the underlying AlxGa1-xN ternary has also been observed and analyzed. A temperature calibration was done based on Stokes/anti-Stokes ratio of A1(LO) using Raman spectroscopy in a broad operating temperature range. Good agreement between the experimental results and theoretically calculated calibration plot predicted using Bose-Einstein statistics was obtained.

  18. Investigation of strain effect on electronic, chemical bonding, magnetic and phonon properties of ScNiBi: a DFT study

    NASA Astrophysics Data System (ADS)

    Bano, Amreen; Gaur, N. K.

    2018-04-01

    In this paper, we have investigated the electronic band structure, magnetic state, chemical bonding and phonon properties of intermetallic compound ScNiBi (SNB) under the effect of strain using first-principles calculations. Our results showed that at 0% strain, SNB appears to be semiconducting with 0.22 eV energy gap. As the amount of strain increases over the system, the energy gap disappears and metallic character with ionic bonding appears. Covalent bonding at 0% lattice strain is observed between Bi-6p and Ni-3{d}{z2} orbitals with small contribution of Sc-3d states, with increasing strain, this bonding becomes ionic as SNB becomes a metal. From density of states (DoS), similar occupancy of energy states in the same energy range is observed in both spin channels, i.e. spin up and spin down. Hence, no spin polarization is found. From magnetic susceptibility as a function of temperature, we conclude that magnetic state of SNB is paramagnetic. Also, from phonon dispersion curves, we find that with increasing lattice strain, the frequency gap between acoustic phonon branches and optical phonon branches reduced and instability with negative frequencies at Γ are observed.

  19. Grain boundary-dominated electrical conduction and anomalous optical-phonon behaviour near the Neel temperature in YFeO3 ceramics

    NASA Astrophysics Data System (ADS)

    Raut, Subhajit; Babu, P. D.; Sharma, R. K.; Pattanayak, Ranjit; Panigrahi, Simanchalo

    2018-05-01

    We investigated the anomalous behaviour in the dielectric properties, occurring nearly at room temperature and at elevated temperatures (near the Neel temperature TN) of the polycrystalline samples of YFeO3 (YFO) ceramics. On the prepared YFO ceramics, the magnetic measurements showed the Neel temperature of YFO to be 650 K, below which the compound exhibited the weak ferromagnetic behaviour. X-ray photoelectron spectroscopy (XPS) shows the presence of Fe ions (Fe2+ and Fe3+ states) and also revealed the formation of the oxygen vacancies. The frequency dependence of the complex dielectric constant within the frequency domain of 100 Hz-1 MHz shows the presence of grain dominated dielectric relaxation over the thermal window of 300-373 K. The activation energy Eact.ɛ=0.611 eV extracted from the imaginary permittivity spectrum indicates the involvement of oxygen vacancies in the relaxation process. Above 493 K, the ac conductivity, complex impedance, and modulus studies revealed appreciable conduction and relaxation processes occurring in YFO ceramics with respective activation energies Eac t . σ=1.362 eV and Eac t . Z=1.345 eV , which suggests that the oxygen vacancies are also involved for the anomalous behaviour of the dielectric constant at elevated temperatures. The temperature dependent Raman spectroscopic measurements within the thermal window of 298-698 K showed anomalous variations of the line widths and frequencies of several Raman active modes above 473 K up to the vicinity of TN pointing towards the presence of admixtures of the electron-phonon and spin-phonon coupling in the system. A further study on the thermal variation of the B2g(4) mode frequency with [M(T)/MS]2 shows the occurrence of strong spin-phonon (s-p) coupling, while the line shape shows the presence of the Fano asymmetry, suggesting spin dependent electron-phonon (e-p) coupling in the system below TN.

  20. Picosecond acoustic phonon dynamics in LaF3:Pr3+

    NASA Astrophysics Data System (ADS)

    Kirkpatrick, Sean M.; Yang, Ho-Soon; Dennis, W. M.

    1998-09-01

    A plasma switching technique is used to generate subnanosecond, far-infrared (FIR) pulses with frequency 113 cm-1. The generation of subnanosecond FIR pulses enables us to improve the time resolution of phonon spectroscopic measurements from 50 ns to 350 ps. As an application of this technique, we investigate the subnanosecond dynamics of high-frequency phonons in 0.5% LaF3:Pr3+. In particular, we report on the generation and detection of a subnanosecond nonequilibrium phonon population at 113 cm-1, and the temporal evolution of the resulting decay products. The frequency dependence of the phonon relaxation rates of acoustic phonons in this material is found to deviate from the ω5 frequency dependence predicted by an isotropic model with linear dispersion. A more realistic model based on the actual dispersion curves of the material is presented and compared with the data.

  1. Resonant Magnon-Phonon Polaritons in a Ferrimagnet

    DTIC Science & Technology

    2000-09-29

    UNCLASSIFIED Defense Technical Information Center Compilation Part Notice ADPO 11604 TITLE: Resonant Magnon -Phonon Polaritons in a Ferrimagnet...part numbers comprise the compilation report: ADP011588 thru ADP011680 UNCLASSIFIED 75 Resonant Magnon -Phonon Polaritons in a Ferrimagnet I. E...susceptibilities X"aa and X’m << X’m appear, where 77 xem - DPx igEo0 i_ Xxy - hy- C1 (0)2 _ 00t2) 4= -7• 4 3. Phonon and magnon polaritons We solve the

  2. Extremely low-frequency Lamb wave band gaps in a sandwich phononic crystal thin plate

    NASA Astrophysics Data System (ADS)

    Shen, Li; Wu, Jiu Hui; Liu, Zhangyi; Fu, Gang

    2015-11-01

    In this paper, a kind of sandwich phononic crystal (PC) plate with silicon rubber scatterers embedded in polymethyl methacrylate (PMMA) matrix is proposed to demonstrate its low-frequency Lamb wave band gap (BG) characteristics. The dispersion relationship and the displacement vector fields of the basic slab modes and the locally resonant modes are investigated to show the BG formation mechanism. The anti-symmetric Lamb wave BG is further studied due to its important function in reducing vibration. The analysis on the BG characteristics of the PC through changing their geometrical parameters is performed. By optimizing the structure, a sandwich PC plate with a thickness of only 3 mm and a lower boundary (as low as 23.9 Hz) of the first anti-symmetric BG is designed. Finally, sound insulation experiment on a sandwich PC plate with the thickness of only 2.5 mm is conducted, showing satisfactory noise reduction effect in the frequency range of the anti-symmetric Lamb BG. Therefore, this kind of sandwich PC plate has potential applications in controlling vibration and noise in low-frequency ranges.

  3. Flexural phonon limited phonon drag thermopower in bilayer graphene

    NASA Astrophysics Data System (ADS)

    Ansari, Mohd Meenhaz; Ashraf, SSZ

    2018-05-01

    We investigate the phonon drag thermopower from flexural phonons as a function of electron temperature and carrier concentration in the Bloch-Gruneisen regime in non-strained bilayer graphene using Boltzmann transport equation approach. The flexural phonons are expected to be the major source of intrinsic scattering mechanism in unstrained bilayer graphene due to their large density. The flexural phonon modes dispersion relation is quadratic so these low energy flexural phonons abound at room temperature and as a result deform the bilayer graphene sheet in the out of plane direction and affects the transport properties. We also produce analytical result for phonon-drag thermopower from flexural phonons and find that phonon-drag thermopower depicts T2 dependence on temperature and n-1 on carrier concentration.

  4. Interlayer electron-phonon coupling in WSe2/hBN heterostructures

    NASA Astrophysics Data System (ADS)

    Jin, Chenhao; Kim, Jonghwan; Suh, Joonki; Shi, Zhiwen; Chen, Bin; Fan, Xi; Kam, Matthew; Watanabe, Kenji; Taniguchi, Takashi; Tongay, Sefaattin; Zettl, Alex; Wu, Junqiao; Wang, Feng

    2017-02-01

    Engineering layer-layer interactions provides a powerful way to realize novel and designable quantum phenomena in van der Waals heterostructures. Interlayer electron-electron interactions, for example, have enabled fascinating physics that is difficult to achieve in a single material, such as the Hofstadter's butterfly in graphene/boron nitride (hBN) heterostructures. In addition to electron-electron interactions, interlayer electron-phonon interactions allow for further control of the physical properties of van der Waals heterostructures. Here we report an interlayer electron-phonon interaction in WSe2/hBN heterostructures, where optically silent hBN phonons emerge in Raman spectra with strong intensities through resonant coupling to WSe2 electronic transitions. Excitation spectroscopy reveals the double-resonance nature of such enhancement, and identifies the two resonant states to be the A exciton transition of monolayer WSe2 and a new hybrid state present only in WSe2/hBN heterostructures. The observation of an interlayer electron-phonon interaction could open up new ways to engineer electrons and phonons for device applications.

  5. Coherent helix vacancy phonon and its ultrafast dynamics waning in topological Dirac semimetal C d3A s2

    NASA Astrophysics Data System (ADS)

    Sun, Fei; Wu, Q.; Wu, Y. L.; Zhao, H.; Yi, C. J.; Tian, Y. C.; Liu, H. W.; Shi, Y. G.; Ding, H.; Dai, X.; Richard, P.; Zhao, Jimin

    2017-06-01

    We report an ultrafast lattice dynamics investigation of the topological Dirac semimetal C d3A s2 . A coherent phonon beating among three evenly spaced A1 g optical phonon modes (of frequencies 1.80, 1.96, and 2.11 THz, respectively) is unambiguously observed. The two side modes originate from the counter helixes composing Cd vacancies. Significantly, such helix vacancy-induced phonon (HVP) modes experience prominent extra waning in their ultrafast dynamics as temperature increases, which is immune to the central mode. Above 200 K, the HVP becomes inactive, which may potentially affect the topological properties. Our results in the lattice degree of freedom suggest the indispensable role of temperature in considering topological properties of such quantum materials.

  6. Isotope effect on superconductivity and Raman phonons of Pyrochlore Cd2Re2O7

    NASA Astrophysics Data System (ADS)

    Razavi, F. S.; Hajialamdari, M.; Reedyk, M.; Kremer, R. K.

    2018-06-01

    Cd2Re2O7 is the only α-Pyrochlore exhibiting superconductivity with a transition temperature (Tc) of ∼ 1 K. In this study, we present the effect of oxygen isotope (18O) as well as combined 18O and cadmium isotope (116Cd) substitution on the superconductivity and Raman scattering spectrum of Cd2Re2O7. The change of Tc and the energy gap Δ(T) are reported using various techniques including point contact spectroscopy. The shift in Raman phonon frequencies upon isotope substitution will be compared with measurement of the isotope effect on the superconducting transition temperature.

  7. Phonon thermal conduction in novel 2D materials.

    PubMed

    Xu, Xiangfan; Chen, Jie; Li, Baowen

    2016-12-07

    Recently, there has been increasing interest in phonon thermal transport in low-dimensional materials, due to the crucial importance of dissipating and managing heat in micro- and nano-electronic devices. Significant progress has been achieved for one-dimensional (1D) systems, both theoretically and experimentally. However, the study of heat conduction in two-dimensional (2D) systems is still in its infancy due to the limited availability of 2D materials and the technical challenges of fabricating suspended samples that are suitable for thermal measurements. In this review, we outline different experimental techniques and theoretical approaches for phonon thermal transport in 2D materials, discuss the problems and challenges of phonon thermal transport measurements and provide a comparison between existing experimental data. Special attention will be given to the effects of size, dimensionality, anisotropy and mode contributions in novel 2D systems, including graphene, boron nitride, MoS 2 , black phosphorous and silicene.

  8. A possible high-mobility signal in bulk MoTe2: Temperature independent weak phonon decay

    NASA Astrophysics Data System (ADS)

    Li, Titao; Zhang, Zhaojun; Zheng, Wei; Lv, Yangyang; Huang, Feng

    2016-11-01

    Layered transition metal dichalcogenides (TMDs) have attracted great attention due to their non-zero bandgap for potential application in high carrier mobility devices. Recent studies demonstrate that the carrier mobility of MoTe2 would decrease by orders of magnitude when used for few-layer transistors. As phonon scattering has a significant influence on carrier mobility of layered material, here, we first reported temperature-dependent Raman spectra of bulk 2H-MoTe2 from 80 to 300 K and discovered that the phonon lifetime of both E12g and A1g vibration modes are independent with temperature. These results were explained by the weak phonon decay in MoTe2. Our results imply the existence of a carrier mobility higher than the theoretical value in intrinsic bulk 2H-MoTe2 and the feasibility to obtain MoTe2-based transistors with sufficiently high carrier mobility.

  9. Effective electron mass and phonon modes in n-type hexagonal InN

    NASA Astrophysics Data System (ADS)

    Kasic, A.; Schubert, M.; Saito, Y.; Nanishi, Y.; Wagner, G.

    2002-03-01

    Infrared spectroscopic ellipsometry and micro-Raman scattering are used to study vibrational and electronic properties of high-quality hexagonal InN. The 0.22-μm-thick highly n-conductive InN film was grown on c-plane sapphire by radio-frequency molecular-beam epitaxy. Combining our results from the ellipsometry data analysis with Hall-effect measurements, the isotropically averaged effective electron mass in InN is determined as 0.14m0. The resonantly excited zone center E1 (TO) phonon mode is observed at 477 cm-1 in the ellipsometry spectra. Despite the high electron concentration in the film, a strong Raman mode occurs in the spectral range of the unscreened A1(LO) phonon. Because an extended carrier-depleted region at the sample surface can be excluded from the ellipsometry-model analysis, we assign this mode to the lower branch of the large-wave-vector LO-phonon-plasmon coupled modes arising from nonconserving wave-vector scattering processes. The spectral position of this mode at 590 cm-1 constitutes a lower limit for the unscreened A1(LO) phonon frequency.

  10. Toward single electron resolution phonon mediated ionization detectors

    NASA Astrophysics Data System (ADS)

    Mirabolfathi, Nader; Harris, H. Rusty; Mahapatra, Rupak; Sundqvist, Kyle; Jastram, Andrew; Serfass, Bruno; Faiez, Dana; Sadoulet, Bernard

    2017-05-01

    Experiments seeking to detect rare event interactions such as dark matter or coherent elastic neutrino nucleus scattering are striving for large mass detectors with very low detection threshold. Using Neganov-Luke phonon amplification effect, the Cryogenic Dark Matter Search (CDMS) experiment is reaching unprecedented RMS resolutions of ∼14 eVee. CDMSlite is currently the most sensitive experiment to WIMPs of mass ∼5 GeV/c2 but is limited in achieving higher phonon gains due to an early onset of leakage current into Ge crystals. The contact interface geometry is particularly weak for blocking hole injection from the metal, and thus a new design is demonstrated that allows high voltage bias via vacuum separated electrode. With an increased bias voltage and a×2 Luke phonon gain, world best RMS resolution of sigma ∼7 eVee for 0.25 kg (d=75 mm, h=1 cm) Ge detectors was achieved. Since the leakage current is a function of the field and the phonon gain is a function of the applied voltage, appropriately robust interface blocking material combined with thicker substrate (25 mm) will reach a resolution of ∼2.8 eVee. In order to achieve better resolution of ∼ eV, we are investigating a layer of insulator between the phonon readout surface and the semiconductor crystals.

  11. Tunable infrared reflectance by phonon modulation

    DOEpatents

    Ihlefeld, Jon F.; Sinclair, Michael B.; Beechem, III, Thomas E.

    2018-03-06

    The present invention pertains to the use of mobile coherent interfaces in a ferroelectric material to interact with optical phonons and, ultimately, to affect the material's optical properties. In altering the optical phonon properties, the optical properties of the ferroelectric material in the spectral range near-to the phonon mode frequency can dramatically change. This can result in a facile means to change to the optical response of the ferroelectric material in the infrared.

  12. Anharmonic phonon-polariton dynamics in ferroelectric LiNbO3 studied with single-shot pump-probe imaging spectroscopy

    NASA Astrophysics Data System (ADS)

    Kuribayashi, T.; Motoyama, T.; Arashida, Y.; Katayama, I.; Takeda, J.

    2018-05-01

    We demonstrate that single-shot pump-probe imaging spectroscopy with an echelon mirror enables us to disclose the ferroelectric phonon-polariton dynamics across a wide temperature range from 10 K to 375 K while avoiding the photorefractive effects that appear prominently at low temperatures. The E-mode phonon-polaritons corresponding to the two transverse optical modes, TO1 and TO3, up to ˜7 THz were induced in LiNbO3 through an impulsive stimulated Raman scattering process. Subsequently, using single-shot pump-probe imaging spectroscopy over a minimal cumulative time, we successfully visualized the phonon-polariton dynamics in time-wavelength space even at low temperatures. We found that the phase-matching condition significantly affected the observed temperature-dependent phonon-polariton frequency shift. The anharmonicity of the TO1 and TO3 modes was then evaluated based on an anharmonic model involving higher-order interactions with acoustic phonons while eliminating the influence of the frequency shift due to the phase-matching condition. The observed wavenumber-dependent damping rate was analyzed by considering the bilinear coupling of the TO1 or TO3 modes with the thermally activated relaxation mode. We found that the phonon-polariton with a higher frequency and wavenumber had a higher damping rate at high temperatures because of its frequent interaction with the thermally activated relaxation mode and acoustic phonons. The TO3 mode displayed greater bilinear coupling than the TO1 mode, which may also have contributed to the observed high damping rate. Thus, using our unique single-shot spectroscopy technique, we could reveal the overall anharmonic characteristics of the E-mode phonon-polaritons arising from both the acoustic phonons and the relaxation mode.

  13. Isotope scattering and phonon thermal conductivity in light atom compounds: LiH and LiF

    DOE PAGES

    Lindsay, Lucas R.

    2016-11-08

    Engineered isotope variation is a pathway toward modulating lattice thermal conductivity (κ) of a material through changes in phonon-isotope scattering. The effects of isotope variation on intrinsic thermal resistance is little explored, as varying isotopes have relatively small differences in mass and thus do not affect bulk phonon dispersions. However, for light elements isotope mass variation can be relatively large (e.g., hydrogen and deuterium). Using a first principles Peierls-Boltzmann transport equation approach the effects of isotope variance on lattice thermal transport in ultra-low-mass compound materials LiH and LiF are characterized. The isotope mass variance modifies the intrinsic thermal resistance viamore » modulation of acoustic and optic phonon frequencies, while phonon-isotope scattering from mass disorder plays only a minor role. This leads to some unusual cases where values of isotopically pure systems ( 6LiH, 7Li 2H and 6LiF) are lower than the values from their counterparts with naturally occurring isotopes and phonon-isotope scattering. However, these differences are relatively small. The effects of temperature-driven lattice expansion on phonon dispersions and calculated κ are also discussed. This work provides insight into lattice thermal conductivity modulation with mass variation and the interplay of intrinsic phonon-phonon and phonon-isotope scattering in interesting light atom systems.« less

  14. Phonon and thermodynamical properties of CuSc: A DFT study

    NASA Astrophysics Data System (ADS)

    Jain, Ekta; Pagare, Gitanjali; Dubey, Shubha; Sanyal, S. P.

    2018-05-01

    A detailed systematic theoretical investigation of phonon and thermodynamical behavior of CuSc intermetallic compound has been carried out by uing first-principles density functional theory in B2-type (CsCl) crystal structure. Phonon dispersion curve and phonon density of states (PhDOS) are studied which confirm the stability of CuSc intermetallic compound in B2 phase. It is found that PhDOS at high frequencies mostly composed of Sc states. We have also presented some temperature dependent properties such as entropy, free energy, heat capacity, internal energy and thermal displacement, which are computed under PHONON code. The various features of these quantities are discussed in detail. From these results we demonstrate that the particular intermetallic have better ductility and larger thermal expansion.

  15. Coherent acoustic phonons in nanostructures

    NASA Astrophysics Data System (ADS)

    Dekorsy, T.; Taubert, R.; Hudert, F.; Bartels, A.; Habenicht, A.; Merkt, F.; Leiderer, P.; Köhler, K.; Schmitz, J.; Wagner, J.

    2008-02-01

    Phonons are considered as a most important origin of scattering and dissipation for electronic coherence in nanostructures. The generation of coherent acoustic phonons with femtosecond laser pulses opens the possibility to control phonon dynamics in amplitude and phase. We demonstrate a new experimental technique based on two synchronized femtosecond lasers with GHz repetition rate to study the dynamics of coherently generated acoustic phonons in semiconductor heterostructures with high sensitivity. High-speed synchronous optical sampling (ASOPS) enables to scan a time-delay of 1 ns with 100 fs time resolution with a frequency in the kHz range without a moving part in the set-up. We investigate the dynamics of coherent zone-folded acoustic phonons in semiconductor superlattices (GaAs/AlAs and GaSb/InAs) and of coherent vibration of metallic nanostructures of non-spherical shape using ASOPS.

  16. Low-phonon-frequency chalcogenide crystalline hosts for rare earth lasers operating beyond three microns

    DOEpatents

    Payne, Stephen A.; Page, Ralph H.; Schaffers, Kathleen I.; Nostrand, Michael C.; Krupke, William F.; Schunemann, Peter G.

    2000-01-01

    The invention comprises a RE-doped MA.sub.2 X.sub.4 crystalline gain medium, where M includes a divalent ion such as Mg, Ca, Sr, Ba, Pb, Eu, or Yb; A is selected from trivalent ions including Al, Ga, and In; X is one of the chalcogenide ions S, Se, and Te; and RE represents the trivalent rare earth ions. The MA.sub.2 X.sub.4 gain medium can be employed in a laser oscillator or a laser amplifier. Possible pump sources include diode lasers, as well as other laser pump sources. The laser wavelengths generated are greater than 3 microns, as becomes possible because of the low phonon frequency of this host medium. The invention may be used to seed optical devices such as optical parametric oscillators and other lasers.

  17. Specularity of longitudinal acoustic phonons at rough surfaces

    NASA Astrophysics Data System (ADS)

    Gelda, Dhruv; Ghossoub, Marc G.; Valavala, Krishna; Ma, Jun; Rajagopal, Manjunath C.; Sinha, Sanjiv

    2018-01-01

    The specularity of phonons at crystal surfaces is of direct importance to thermal transport in nanostructures and to dissipation in nanomechanical resonators. Wave scattering theory provides a framework for estimating wavelength-dependent specularity, but experimental validation remains elusive. Widely available thermal conductivity data presents poor validation since the involvement of the infinitude of phonon wavelengths in thermal transport presents an underconstrained test for specularity theory. Here, we report phonon specularity by measuring the lifetimes of individual coherent longitudinal acoustic phonon modes excited in ultrathin (36-205 nm) suspended silicon membranes at room temperature over the frequency range ˜20 -118 GHz. Phonon surface scattering dominates intrinsic Akhiezer damping at frequencies ≳60 GHz, enabling measurements of phonon boundary scattering time over wavelengths ˜72 -140 nm . We obtain detailed statistics of the surface roughness at the top and bottom surfaces of membranes using HRTEM imaging. We find that the specularity of the excited modes are in good agreement with solutions of wave scattering only when the TEM statistics are corrected for projection errors. The often-cited Ziman formula for phonon specularity also appears in good agreement with the data, contradicting previous results. This work helps to advance the fundamental understanding of phonon scattering at the surfaces of nanostructures.

  18. Temperature Dependence of Phonons in Pyrolitic Graphite

    DOE R&D Accomplishments Database

    Brockhouse, B. N.; Shirane, G.

    1977-01-01

    Dispersion curves for longitudinal and transverse phonons propagating along and near the c-axis in pyrolitic graphite at temperatures between 4?K and 1500?C have been measured by neutron spectroscopy. The observed frequencies decrease markedly with increasing temperature (except for the transverse optical ''rippling'' modes in the hexagonal planes). The neutron groups show interesting asymmetrical broadening ascribed to interference between one phonon and many phonon processes.

  19. Unusual phonon behavior and ultra-low thermal conductance of monolayer InSe.

    PubMed

    Zhou, Hangbo; Cai, Yongqing; Zhang, Gang; Zhang, Yong-Wei

    2017-12-21

    Monolayer indium selenide (InSe) possesses numerous fascinating properties, such as high electron mobility, quantum Hall effect and anomalous optical response. However, its phonon properties, thermal transport properties and the origin of its structural stability remain unexplored. Using first-principles calculations, we show that the atoms in InSe are highly polarized and such polarization causes strong long-range dipole-dipole interaction (DDI). For acoustic modes, DDI is essential for maintaining its structural stability. For optical modes, DDI causes a significant frequency shift of its out-of-phase vibrations. Surprisingly, we observed that there were two isolated frequency regimes, which were completely separated from other frequency regimes with large frequency gaps. Within each frequency regime, only a single phonon mode exists. We further reveal that InSe possesses the lowest thermal conductance among the known two-dimensional materials due to the low cut-off frequency, low phonon group velocities and the presence of large frequency gaps. These unique behaviors of monolayer InSe can enable the fabrication of novel devices, such as thermoelectric module, single-mode phonon channel and phononic laser.

  20. Phonons, Diffusons, and the Boson Peak in Two-Dimensional Lattices with Random Bonds

    NASA Astrophysics Data System (ADS)

    Konyukh, D. A.; Bel'tyukov, Ya. M.; Parshin, D. A.

    2018-02-01

    Within the model of stable random matrices possessing translational invariance, a two-dimensional (on a square lattice) disordered oscillatory system with random strongly fluctuating bonds is considered. By a numerical analysis of the dynamic structure factor S( q, ω), it is shown that vibrations with frequencies below the Ioffe-Regel frequency ωIR are ordinary phonons with a linear dispersion law ω( q) ∝ q and a reciprocal lifetime б q 3. Vibrations with frequencies above ωIR, although being delocalized, cannot be described by plane waves with a definite dispersion law ω( q). They are characterized by a diffusion structure factor with a reciprocal lifetime б q 2, which is typical of a diffusion process. In the literature, they are often referred to as diffusons. It is shown that, as in the three-dimensional model, the boson peak at the frequency ωb in the reduced density of vibrational states g(ω)/ω is on the order of the frequency ωIR. It is located in the transition region between phonons and diffusons and is proportional to the Young's modulus of the lattice, ω b ≃ E.

  1. Electron-phonon interaction in the binary superconductor lutetium carbide LuC2 via first-principles calculations

    NASA Astrophysics Data System (ADS)

    Dilmi, S.; Saib, S.; Bouarissa, N.

    2018-06-01

    Structural, electronic, electron-phonon coupling and superconducting properties of the intermetallic compound LuC2 are investigated by means of ab initio pseudopotential plane wave method within the generalized gradient approximation. The calculated equilibrium lattice parameters yielded a very good accord with experiment. There is no imaginary phonon frequency in the whole Brillouin zone supporting thus the dynamical stability in the material of interest. The average electron-phonon coupling parameter is found to be 0.59 indicating thus a weak-coupling BCS superconductor. Using a reasonable value of μ* = 0.12 for the effective Coulomb repulsion parameter, the superconducting critical temperature Tc is found to be 3.324 which is in excellent agreement with the experimental value of 3.33 K. The effect of the spin-orbit coupling on the superconducting properties of the material of interest has been examined and found to be weak.

  2. Thermally triggered phononic gaps in liquids at THz scale

    DOE PAGES

    Bolmatov, Dima; Zhernenkov, Mikhail; Zavyalov, Dmitry; ...

    2016-01-14

    In this study we present inelastic X-ray scattering experiments in a diamond anvil cell and molecular dynamic simulations to investigate the behavior of phononic excitations in liquid Ar. The spectra calculated using molecular dynamics were found to be in a good agreement with the experimental data. Furthermore, we observe that, upon temperature increases, a low-frequency transverse phononic gap emerges while high-frequency propagating modes become evanescent at the THz scale. The effect of strong localization of a longitudinal phononic mode in the supercritical phase is observed for the first time. The evidence for the high-frequency transverse phononic gap due to themore » transition from an oscillatory to a ballistic dynamic regimes of motion is presented and supported by molecular dynamics simulations. This transition takes place across the Frenkel line thermodynamic limit which demarcates compressed liquid and non-compressed fluid domains on the phase diagram and is supported by calculations within the Green-Kubo phenomenological formalism. These results are crucial to advance the development of novel terahertz thermal devices, phononic lenses, mirrors, and other THz metamaterials.« less

  3. Anharmonic phonon decay in cubic GaN

    NASA Astrophysics Data System (ADS)

    Cuscó, R.; Domènech-Amador, N.; Novikov, S.; Foxon, C. T.; Artús, L.

    2015-08-01

    We present a Raman-scattering study of optical phonons in zinc-blende (cubic) GaN for temperatures ranging from 80 to 750 K. The experiments were performed on high-quality, cubic GaN films grown by molecular-beam epitaxy on GaAs (001) substrates. The observed temperature dependence of the optical phonon frequencies and linewidths is analyzed in the framework of anharmonic decay theory, and possible decay channels are discussed in the light of density-functional-theory calculations. The longitudinal-optical (LO) mode relaxation is found to occur via asymmetric decay into acoustic phonons, with an appreciable contribution of higher-order processes. The transverse-optical mode linewidth shows a weak temperature dependence and its frequency downshift is primarily determined by the lattice thermal expansion. The LO phonon lifetime is derived from the observed Raman linewidth and an excellent agreement with previous theoretical predictions is found.

  4. Room-Temperature Coherent Optical Phonon in 2D Electronic Spectra of CH 3NH 3PbI 3 Perovskite as a Possible Cooling Bottleneck

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Monahan, Daniele M.; Guo, Liang; Lin, Jia

    2017-06-29

    A hot phonon bottleneck may be responsible for slow hot carrier cooling in methylammonium lead iodide hybrid perovskite, creating the potential for more efficient hot carrier photovoltaics. In room-temperature 2D electronic spectra near the band edge, we observe in this paper amplitude oscillations due to a remarkably long lived 0.9 THz coherent phonon population at room temperature. This phonon (or set of phonons) is assigned to angular distortions of the Pb–I lattice, not coupled to cation rotations. The strong coupling between the electronic transition and the 0.9 THz mode(s), together with relative isolation from other phonon modes, makes it likelymore » to cause a phonon bottleneck. Finally, the pump frequency resolution of the 2D spectra also enables independent observation of photoinduced absorptions and bleaches independently and confirms that features due to band gap renormalization are longer-lived than in transient absorption spectra.« less

  5. Experimental study on the sound absorption characteristics of continuously graded phononic crystals

    NASA Astrophysics Data System (ADS)

    Zhang, X. H.; Qu, Z. G.; He, X. C.; Lu, D. L.

    2016-10-01

    Novel three-dimensional (3D) continuously graded phononic crystals (CGPCs) have been designed, and fabricated by 3D printing. Each of the CGPCs is an entity instead of a combination of several other samples, and the porosity distribution of the CGPC along the incident direction is nearly linear. The sound absorption characteristics of CGPCs were experimentally investigated and compared with those of uniform phononic crystals (UPCs) and discretely stepped phononic crystals (DSPCs). Experimental results show that CGPCs demonstrate excellent sound absorption performance because of their continuously graded structures. CGPCs have higher sound absorption coefficients in the large frequency range and more sound absorption coefficient peaks in a specific frequency range than UPCs and DSPCs. In particular, the sound absorption coefficients of the CGPC with a porosity of 0.6 and thickness of 30 mm are higher than 0.56 when the frequency is 1350-6300 Hz and are all higher than 0.2 in the studied frequency range (1000-6300 Hz). CGPCs are expected to have potential application in noise control, especially in the broad frequency and low-frequency ranges.

  6. A study of frequency band structure in two-dimensional homogeneous anisotropic phononic K3-metamaterials

    NASA Astrophysics Data System (ADS)

    Gorshkov, V. N.; Navadeh, N.; Fallah, A. S.

    2017-09-01

    Phononic metamaterials are synthesised materials in which locally resonant units are arranged in a particular geometry of a substratum lattice and connected in a predefined topology. This study investigates dispersion surfaces in two-dimensional anisotropic acoustic metamaterials involving mass-in-mass units connected by massless springs in K3 topology. The reasons behind the particular choice of this topology are explained. Two sets of solutions for the eigenvalue problem | {\\boldsymbol{D}}({ω }2,{\\boldsymbol{k}})| =0 are obtained and the existence of absolutely different mechanisms of gap formation between acoustic and optical surface frequencies is shown as a bright display of quantum effects like strong coupling, energy splitting, and level crossings in classical mechanical systems. It has been concluded that a single dimensionless parameter i.e. relative mass controls the order of formation of gaps between different frequency surfaces. If the internal mass of the locally resonant mass-in-mass unit, m, increases relative to its external mass, M, then the coupling between the internal and external vibrations in the whole system rises sharply, and a threshold {μ }* is reached so that for m/M> {μ }* the optical vibrations break the continuous spectrum of ‘acoustic phonons’ creating the gap between them for any value of other system parameters. The methods to control gap parameters and polarisation properties of the optical vibrations created over these gaps were investigated. Dependencies of morphology and width of gaps for several anisotropic cases have been expounded and the physical meaning of singularity at the point of tangential contact between two adjacent frequency surfaces has been provided. Repulsion between different frequency band curves, as planar projections of surfaces, has been explained. The limiting case of isotropy has been discussed and it has been shown that, in the isotropic case, the lower gap always forms, irrespective of the value

  7. Phonons on fcc (100), (110), and (111) surfaces using Lennard-Jones potentials. II. Temperature dependence of surface phonons studied with molecular dynamics

    NASA Astrophysics Data System (ADS)

    Koleske, D. D.; Sibener, S. J.

    In this paper we present temperature dependent studies of the surface phonon dispersion relations for fcc (100), (110), and (111) faces using molecular dynamics (MD) simulations and Lennard-Jones potentials. This study was conducted in order to investigate how anharmonic potential terms influence the dynamical properties of the surface. This was accomplished by examining the temperature dependence of the Q-resolved phonon spectral density function. All phonon frequencies were found to decrease linearly in T as the temperature was increased, while at low temperatures the phonon linewidths increased linearly with T. At higher temperatures, some of the phonon linewidths changed from having a linear to a quadratic dependence on T. The temperature at which this T to T2 change occurs is surface dependent and occurs at the lowest temperature on the (110) surface. The T2 dependence arises from the increasing importance of higher-order phonon-phonon scattering terms. The phonons which exhibit T2 dependence tend to be modes which propagate perpendicularly or nearly perpendicularly to the direction of maximum root-mean-squared displacement (RMSD). This is especially true for the linewidth of the S 1 mode at overlineX on the (110) surface where, at T ≈ 15-23% of the melting temperature, the RMSD perpendicular to the atomic rows become larger than the RMSD normal to the surface. Our results indicate that the dynamics on the (110) surface may be significantly influenced by anharmonic potential terms at temperatures as low as 15% of the melting temperature.

  8. Sensing coherent phonons with two-photon interference

    NASA Astrophysics Data System (ADS)

    Ding, Ding; Yin, Xiaobo; Li, Baowen

    2018-02-01

    Detecting coherent phonons pose different challenges compared to coherent photons due to the much stronger interaction between phonons and matter. This is especially true for high frequency heat carrying phonons, which are intrinsic lattice vibrations experiencing many decoherence events with the environment, and are thus generally assumed to be incoherent. Two photon interference techniques, especially coherent population trapping (CPT) and electromagnetically induced transparency (EIT), have led to extremely sensitive detection, spectroscopy and metrology. Here, we propose the use of two photon interference in a three-level system to sense coherent phonons. Unlike prior works which have treated phonon coupling as damping, we account for coherent phonon coupling using a full quantum-mechanical treatment. We observe strong asymmetry in absorption spectrum in CPT and negative dispersion in EIT susceptibility in the presence of coherent phonon coupling which cannot be accounted for if only pure phonon damping is considered. Our proposal has application in sensing heat carrying coherent phonons effects and understanding coherent bosonic multi-pathway interference effects in three coupled oscillator systems.

  9. Understanding photon sideband statistics and correlation for determining phonon coherence

    NASA Astrophysics Data System (ADS)

    Ding, Ding; Yin, Xiaobo; Li, Baowen

    2018-01-01

    Generating and detecting coherent high-frequency heat-carrying phonons have been topics of great interest in recent years. Although there have been successful attempts in generating and observing coherent phonons, rigorous techniques to characterize and detect phonon coherence in a crystalline material have been lagging compared to what has been achieved for photons. One main challenge is a lack of detailed understanding of how detection signals for phonons can be related to coherence. The quantum theory of photoelectric detection has greatly advanced the ability to characterize photon coherence in the past century, and a similar theory for phonon detection is necessary. Here, we reexamine the optical sideband fluorescence technique that has been used to detect high-frequency phonons in materials with optically active defects. We propose a quantum theory of phonon detection using the sideband technique and found that there are distinct differences in sideband counting statistics between thermal and coherent phonons. We further propose a second-order correlation function unique to sideband signals that allows for a rigorous distinction between thermal and coherent phonons. Our theory is relevant to a correlation measurement with nontrivial response functions at the quantum level and can potentially bridge the gap of experimentally determining phonon coherence to be on par with that of photons.

  10. Temperature dependence of Brillouin light scattering spectra of acoustic phonons in silicon

    NASA Astrophysics Data System (ADS)

    Olsson, Kevin S.; Klimovich, Nikita; An, Kyongmo; Sullivan, Sean; Weathers, Annie; Shi, Li; Li, Xiaoqin

    2015-02-01

    Electrons, optical phonons, and acoustic phonons are often driven out of local equilibrium in electronic devices or during laser-material interaction processes. The need for a better understanding of such non-equilibrium transport processes has motivated the development of Raman spectroscopy as a local temperature sensor of optical phonons and intermediate frequency acoustic phonons, whereas Brillouin light scattering (BLS) has recently been explored as a temperature sensor of low-frequency acoustic phonons. Here, we report the measured BLS spectra of silicon at different temperatures. The origins of the observed temperature dependence of the BLS peak position, linewidth, and intensity are examined in order to evaluate their potential use as temperature sensors for acoustic phonons.

  11. Temperature dependence of Brillouin light scattering spectra of acoustic phonons in silicon

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Olsson, Kevin S.; Klimovich, Nikita; An, Kyongmo

    2015-02-02

    Electrons, optical phonons, and acoustic phonons are often driven out of local equilibrium in electronic devices or during laser-material interaction processes. The need for a better understanding of such non-equilibrium transport processes has motivated the development of Raman spectroscopy as a local temperature sensor of optical phonons and intermediate frequency acoustic phonons, whereas Brillouin light scattering (BLS) has recently been explored as a temperature sensor of low-frequency acoustic phonons. Here, we report the measured BLS spectra of silicon at different temperatures. The origins of the observed temperature dependence of the BLS peak position, linewidth, and intensity are examined in ordermore » to evaluate their potential use as temperature sensors for acoustic phonons.« less

  12. Spacetime representation of topological phononics

    NASA Astrophysics Data System (ADS)

    Deymier, Pierre A.; Runge, Keith; Lucas, Pierre; Vasseur, Jérôme O.

    2018-05-01

    Non-conventional topology of elastic waves arises from breaking symmetry of phononic structures either intrinsically through internal resonances or extrinsically via application of external stimuli. We develop a spacetime representation based on twistor theory of an intrinsic topological elastic structure composed of a harmonic chain attached to a rigid substrate. Elastic waves in this structure obey the Klein–Gordon and Dirac equations and possesses spinorial character. We demonstrate the mapping between straight line trajectories of these elastic waves in spacetime and the twistor complex space. The twistor representation of these Dirac phonons is related to their topological and fermion-like properties. The second topological phononic structure is an extrinsic structure composed of a one-dimensional elastic medium subjected to a moving superlattice. We report an analogy between the elastic behavior of this time-dependent superlattice, the scalar quantum field theory and general relativity of two types of exotic particle excitations, namely temporal Dirac phonons and temporal ghost (tachyonic) phonons. These phonons live on separate sides of a two-dimensional frequency space and are delimited by ghost lines reminiscent of the conventional light cone. Both phonon types exhibit spinorial amplitudes that can be measured by mapping the particle behavior to the band structure of elastic waves.

  13. Phonon cross-plane transport and thermal boundary resistance: effect of heat source size and thermal boundary resistance on phonon characteristics

    NASA Astrophysics Data System (ADS)

    Ali, H.; Yilbas, B. S.

    2016-09-01

    Phonon cross-plane transport across silicon and diamond thin films pair is considered, and thermal boundary resistance across the films pair interface is examined incorporating the cut-off mismatch and diffusive mismatch models. In the cut-off mismatch model, phonon frequency mismatch for each acoustic branch is incorporated across the interface of the silicon and diamond films pair in line with the dispersion relations of both films. The frequency-dependent and transient solution of the Boltzmann transport equation is presented, and the equilibrium phonon intensity ratios at the silicon and diamond film edges are predicted across the interface for each phonon acoustic branch. Temperature disturbance across the edges of the films pair is incorporated to assess the phonon transport characteristics due to cut-off and diffusive mismatch models across the interface. The effect of heat source size, which is allocated at high-temperature (301 K) edge of the silicon film, on the phonon transport characteristics at the films pair interface is also investigated. It is found that cut-off mismatch model predicts higher values of the thermal boundary resistance across the films pair interface as compared to that of the diffusive mismatch model. The ratio of equilibrium phonon intensity due to the cut-off mismatch over the diffusive mismatch models remains >1 at the silicon edge, while it becomes <1 at the diamond edge for all acoustic branches.

  14. Topological phonon modes in filamentary structures

    NASA Astrophysics Data System (ADS)

    Berg, Nina; Joel, Kira; Koolyk, Miriam; Prodan, Emil

    2011-02-01

    This work describes a class of topological phonon modes, that is, mechanical vibrations localized at the edges of special structures that are robust against the deformations of the structures. A class of topological phonons was recently found in two-dimensional structures similar to that of microtubules. The present work introduces another class of topological phonons, this time occurring in quasi-one-dimensional filamentary structures with inversion symmetry. The phenomenon is exemplified using a structure inspired from that of actin microfilaments, present in most live cells. The system discussed here is probably the simplest structure that supports topological phonon modes, a fact that allows detailed analysis in both time and frequency domains. We advance the hypothesis that the topological phonon modes are ubiquitous in the biological world and that living organisms make use of them during various processes.

  15. First-principles calculations of phonons and Raman and infrared spectra in Cd-IV-N2 compounds

    NASA Astrophysics Data System (ADS)

    Lyu, Sai; Lambrecht, Walter R. L.

    2018-05-01

    A first-principles study of the phonons at the zone center in Cd-IV-N2 compounds is presented with IV = Si, Ge, Sn. The calculations are performed for the most likely Pbn21 crystal structure, after showing that it is indeed lower in total energy compared to the closely related Pmc21 structure. The normal mode frequencies are calculated using density functional perturbation theory and symmetry labeled. The longitudinal optical-transverse optical splittings are determined using the Born effective charges which are also reported. These are used to simulate polarized Raman spectra for different scattering configurations as well as the infrared absorption and reflection spectra. The mode frequencies are found to decrease from Si to Ge to Sn as group-IV cation. The spectra show a wide variety of number of prominent peaks and relative intensities in spite of the great similarities of these three materials. Phonon densities of states and their analysis in atom by atom contributions are also reported.

  16. Nanoscale Phonon Transport as Probed with a Microfabricated Phonon Spectrometer for the Study of Nanoscale Energy Transport

    NASA Astrophysics Data System (ADS)

    Robinson, Richard; Otelaja, Obafemi; Hertzberg, Jared; Aksit, Mahmut; Stewart, Derek

    2013-03-01

    Phonons are the dominant heat carriers in dielectrics and a clear understanding of their behavior at the nanoscale is important for the development of efficient thermoelectric devices. In this work we show how acoustic phonon transport can be directly probed by the generation and detection of non-equilibrium phonons in microscale and nanoscale structures. Our technique employs a scalable method of fabricating phonon generators and detectors by forming Al-AlxOy-Al superconducting tunnel junctions on the sidewalls of a silicon mesa etched with KOH and an operating temperature of 0.3K. In the line-of-sight path along the width of these mesas, phonons with frequency ~100 GHz can propagate ballistically The phonons radiate into the mesa and are observed by the detector after passing through the mesa. We fabricated silicon nanosheets of width 100 to 300 nm along the ballistic path and observe surface scattering effects on phonon transmission when the characteristic length scale of a material is less than the phonon mean free path. We compare our results to the Casimir-Ziman theory. Our methods can be adapted for studying phonon transport in other nanostructures and will improve the understanding of phonon contribution to thermal transport. The work was supported in part by the National Science Foundation under Agreement No. DMR-1149036.

  17. Femtosecond study of A1g phonons in the strong 3D topological insulators: From pump-probe to coherent control

    NASA Astrophysics Data System (ADS)

    Hu, Jianbo; Igarashi, Kyushiro; Sasagawa, Takao; Nakamura, Kazutaka G.; Misochko, Oleg V.

    2018-01-01

    Fully symmetric A1g phonons are expected to play a dominant role in electron scattering in strong topological insulators (TIs), thus limiting the ballistic transport of future electronic devices. Here, we report on femtosecond time-resolved observation of a pair of A1g coherent phonons and their optical control in two strong 3D TIs, Bi2Te3 and Bi2Se3, by using a second pump pulse in ultrafast spectroscopy measurements. Along with well-defined phonon properties such as frequency and lifetime, an obvious phonon chirp has been observed, implying a strong coupling between photo-carriers and lattices. The coherent phonon manipulation, on the other hand, allows us to change the phonon amplitude selectively but does not affect either the frequency or coherence lifetime of the chosen mode.

  18. Low-frequency zone boundary phonons in Li doped ZnO ceramics

    NASA Astrophysics Data System (ADS)

    Yadav, Harish Kumar; Sreenivas, K.; Gupta, Vinay; Katiyar, R. S.

    2008-09-01

    Room temperature Raman spectra of Li doped ZnO (Zn1-xLixO) ceramics with varying Li concentrations (x =0.0, 0.05, 0.10, and 0.15) are investigated in this study. Four peaks were identified at 96.6, 127, 157, and 194 cm-1 in the Li doped samples. The peaks at 127, 157, and 194 cm-1 are assigned to zone boundary phonons in ZnO [J. M. Calleja and M. Cardona, Phys. Rev. B 16, 3753 (1977)], and appear due to disorder in ZnO lattice with Li incorporation. Lithium, owing to its smaller radius, adjusts itself anywhere in the ZnO lattice and breaks the crystal translational symmetry to a large extent, compared to other dopants. Disorder in the lattice is seen to be finely modulated with varying Li content. The peak at 96.6 cm-1 is hypothesized to be a projection of the vibrational motion of Li atoms at lower frequencies, which contributes in a major fashion at higher frequencies, due to its lighter mass than Zn or O atoms.

  19. Optimizing phonon space in the phonon-coupling model

    NASA Astrophysics Data System (ADS)

    Tselyaev, V.; Lyutorovich, N.; Speth, J.; Reinhard, P.-G.

    2017-08-01

    We present a new scheme to select the most relevant phonons in the phonon-coupling model, named here the time-blocking approximation (TBA). The new criterion, based on the phonon-nucleon coupling strengths rather than on B (E L ) values, is more selective and thus produces much smaller phonon spaces in the TBA. This is beneficial in two respects: first, it curbs the computational cost, and second, it reduces the danger of double counting in the expansion basis of the TBA. We use here the TBA in a form where the coupling strength is regularized to keep the given Hartree-Fock ground state stable. The scheme is implemented in a random-phase approximation and TBA code based on the Skyrme energy functional. We first explore carefully the cutoff dependence with the new criterion and can work out a natural (optimal) cutoff parameter. Then we use the freshly developed and tested scheme for a survey of giant resonances and low-lying collective states in six doubly magic nuclei looking also at the dependence of the results when varying the Skyrme parametrization.

  20. The temperature dependence of vibronic lineshapes: Linear electron-phonon coupling

    NASA Astrophysics Data System (ADS)

    Roos, Claudia; Köhn, Andreas; Gauss, Jürgen; Diezemann, Gregor

    2014-10-01

    We calculate the effect of a linear electron-phonon coupling on vibronic transitions of dye molecules of arbitrary complexity. With the assumption of known vibronic frequencies (for instance from quantum-chemical calculations), we give expressions for the absorption or emission lineshapes in a second-order cumulant expansion. We show that the results coincide with those obtained from generalized Redfield theory if one uses the time-local version of the theory and applies the secular approximation. Furthermore, the theory allows to go beyond the Huang-Rhys approximation and can be used to incorporate Dushinsky effects in the treatment of the temperature dependence of optical spectra. We consider both, a pure electron-phonon coupling independent of the molecular vibrations and a coupling bilinear in the molecular vibrational modes and the phonon coordinates. We discuss the behavior of the vibronic density of states for various models for the spectral density representing the coupling of the vibronic system to the harmonic bath. We recover some of the results that have been derived earlier for the spin-boson model and we show that the behavior of the spectral density at low frequencies determines the dominant features of the spectra. In case of the bilinear coupling between the molecular vibrations and the phonons we give analytical expressions for different spectral densities. The spectra are reminiscent of those obtained from the well known Brownian oscillator model and one finds a zero-phonon line and phonon-side bands located at vibrational frequencies of the dye. The intensity of the phonon-side bands diminishes with increasing vibrational frequencies and with decreasing coupling strength (Huang-Rhys factor). It vanishes completely in the Markovian limit where only a Lorentzian zero-phonon line is observed.

  1. Ab initio phonon point defect scattering and thermal transport in graphene

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Polanco, Carlos A.; Lindsay, Lucas R.

    Here, we study the scattering of phonons from point defects and their effect on lattice thermal conductivity κ using a parameter-free ab initio Green's function methodology. Specifically, we focus on the scattering of phonons by boron (B), nitrogen (N), and phosphorus substitutions as well as single- and double-carbon vacancies in graphene. We show that changes of the atomic structure and harmonic interatomic force constants locally near defects govern the strength and frequency trends of the scattering of out-of-plane acoustic (ZA) phonons, the dominant heat carriers in graphene. ZA scattering rates due to N substitutions are nearly an order of magnitudemore » smaller than those for B defects despite having similar mass perturbations. Furthermore, ZA phonon scattering rates from N defects decrease with increasing frequency in the lower-frequency spectrum in stark contrast to expected trends from simple models. ZA phonon-vacancy scattering rates are found to have a significantly softer frequency dependence (~ω 0) in graphene than typically employed in phenomenological models. The rigorous Green's function calculations demonstrate that typical mass-defect models do not adequately describe ZA phonon-defect scattering rates. Our ab initio calculations capture well the trend of κ vs vacancy density from experiments, though not the magnitudes. In conclusion, this work elucidates important insights into phonon-defect scattering and thermal transport in graphene, and demonstrates the applicability of first-principles methods toward describing these properties in imperfect materials.« less

  2. Ab initio phonon point defect scattering and thermal transport in graphene

    DOE PAGES

    Polanco, Carlos A.; Lindsay, Lucas R.

    2018-01-04

    Here, we study the scattering of phonons from point defects and their effect on lattice thermal conductivity κ using a parameter-free ab initio Green's function methodology. Specifically, we focus on the scattering of phonons by boron (B), nitrogen (N), and phosphorus substitutions as well as single- and double-carbon vacancies in graphene. We show that changes of the atomic structure and harmonic interatomic force constants locally near defects govern the strength and frequency trends of the scattering of out-of-plane acoustic (ZA) phonons, the dominant heat carriers in graphene. ZA scattering rates due to N substitutions are nearly an order of magnitudemore » smaller than those for B defects despite having similar mass perturbations. Furthermore, ZA phonon scattering rates from N defects decrease with increasing frequency in the lower-frequency spectrum in stark contrast to expected trends from simple models. ZA phonon-vacancy scattering rates are found to have a significantly softer frequency dependence (~ω 0) in graphene than typically employed in phenomenological models. The rigorous Green's function calculations demonstrate that typical mass-defect models do not adequately describe ZA phonon-defect scattering rates. Our ab initio calculations capture well the trend of κ vs vacancy density from experiments, though not the magnitudes. In conclusion, this work elucidates important insights into phonon-defect scattering and thermal transport in graphene, and demonstrates the applicability of first-principles methods toward describing these properties in imperfect materials.« less

  3. Ab initio phonon point defect scattering and thermal transport in graphene

    NASA Astrophysics Data System (ADS)

    Polanco, Carlos A.; Lindsay, Lucas

    2018-01-01

    We study the scattering of phonons from point defects and their effect on lattice thermal conductivity κ using a parameter-free ab initio Green's function methodology. Specifically, we focus on the scattering of phonons by boron (B), nitrogen (N), and phosphorus substitutions as well as single- and double-carbon vacancies in graphene. We show that changes of the atomic structure and harmonic interatomic force constants locally near defects govern the strength and frequency trends of the scattering of out-of-plane acoustic (ZA) phonons, the dominant heat carriers in graphene. ZA scattering rates due to N substitutions are nearly an order of magnitude smaller than those for B defects despite having similar mass perturbations. Furthermore, ZA phonon scattering rates from N defects decrease with increasing frequency in the lower-frequency spectrum in stark contrast to expected trends from simple models. ZA phonon-vacancy scattering rates are found to have a significantly softer frequency dependence (˜ω0 ) in graphene than typically employed in phenomenological models. The rigorous Green's function calculations demonstrate that typical mass-defect models do not adequately describe ZA phonon-defect scattering rates. Our ab initio calculations capture well the trend of κ vs vacancy density from experiments, though not the magnitudes. This work elucidates important insights into phonon-defect scattering and thermal transport in graphene, and demonstrates the applicability of first-principles methods toward describing these properties in imperfect materials.

  4. Intrinsic to extrinsic phonon lifetime transition in a GaAs-AlAs superlattice.

    PubMed

    Hofmann, F; Garg, J; Maznev, A A; Jandl, A; Bulsara, M; Fitzgerald, E A; Chen, G; Nelson, K A

    2013-07-24

    We have measured the lifetimes of two zone-center longitudinal acoustic phonon modes, at 320 and 640 GHz, in a 14 nm GaAs/2 nm AlAs superlattice structure. By comparing measurements at 296 and 79 K we separate the intrinsic contribution to phonon lifetime determined by phonon-phonon scattering from the extrinsic contribution due to defects and interface roughness. At 296 K, the 320 GHz phonon lifetime has approximately equal contributions from intrinsic and extrinsic scattering, whilst at 640 GHz it is dominated by extrinsic effects. These measurements are compared with intrinsic and extrinsic scattering rates in the superlattice obtained from first-principles lattice dynamics calculations. The calculated room-temperature intrinsic lifetime of longitudinal phonons at 320 GHz is in agreement with the experimentally measured value of 0.9 ns. The model correctly predicts the transition from predominantly intrinsic to predominantly extrinsic scattering; however the predicted transition occurs at higher frequencies. Our analysis indicates that the 'interfacial atomic disorder' model is not entirely adequate and that the observed frequency dependence of the extrinsic scattering rate is likely to be determined by a finite correlation length of interface roughness.

  5. Engineering dissipation with phononic spectral hole burning

    NASA Astrophysics Data System (ADS)

    Behunin, R. O.; Kharel, P.; Renninger, W. H.; Rakich, P. T.

    2017-03-01

    Optomechanics, nano-electromechanics, and integrated photonics have brought about a renaissance in phononic device physics and technology. Central to this advance are devices and materials supporting ultra-long-lived photonic and phononic excitations that enable novel regimes of classical and quantum dynamics based on tailorable photon-phonon coupling. Silica-based devices have been at the forefront of such innovations for their ability to support optical excitations persisting for nearly 1 billion cycles, and for their low optical nonlinearity. While acoustic phonon modes can persist for a similar number of cycles in crystalline solids at cryogenic temperatures, it has not been possible to achieve such performance in silica, as silica becomes acoustically opaque at low temperatures. We demonstrate that these intrinsic forms of phonon dissipation are greatly reduced (by >90%) by nonlinear saturation using continuous drive fields of disparate frequencies. The result is a form of steady-state phononic spectral hole burning that produces a wideband transparency window with optically generated phonon fields of modest (nW) powers. We developed a simple model that explains both dissipative and dispersive changes produced by phononic saturation. Our studies, conducted in a microscale device, represent an important step towards engineerable phonon dynamics on demand and the use of glasses as low-loss phononic media.

  6. Ultrafast Spectroscopy of Fano-Like Resonance between Optical Phonon and Excitons in CdSe Quantum Dots: Dependence of Coherent Vibrational Wave-Packet Dynamics on Pump Fluence

    PubMed Central

    Aybush, Arseniy; Gostev, Fedor; Shelaev, Ivan; Titov, Andrey; Umanskiy, Stanislav; Cherepanov, Dmitry

    2017-01-01

    The main goal of the present work is to study the coherent phonon in strongly confined CdSe quantum dots (QDs) under varied pump fluences. The main characteristics of coherent phonons (amplitude, frequency, phase, spectrogram) of CdSe QDs under the red-edge pump of the excitonic band [1S(e)-1S3/2(h)] are reported. We demonstrate for the first time that the amplitude of the coherent optical longitudinal-optical (LO) phonon at 6.16 THz excited in CdSe nanoparticles by a femtosecond unchirped pulse shows a non-monotone dependence on the pump fluence. This dependence exhibits the maximum at pump fluence ~0.8 mJ/cm2. At the same time, the amplitudes of the longitudinal acoustic (LA) phonon mode at 0.55 THz and of the coherent wave packet of toluene at 15.6, 23.6 THz show a monotonic rise with the increase of pump fluence. The time frequency representation of an oscillating signal corresponding to LO phonons revealed by continuous wavelet transform (CWT) shows a profound destructive quantum interference close to the origin of distinct (optical phonon) and continuum-like (exciton) quasiparticles. The CWT spectrogram demonstrates a nonlinear chirp at short time delays, where the chirp sign depends on the pump pulse fluence. The CWT spectrogram reveals an anharmonic coupling between optical and acoustic phonons. PMID:29113056

  7. Scanning Tunneling Microscopy Observation of Phonon Condensate

    PubMed Central

    Altfeder, Igor; Voevodin, Andrey A.; Check, Michael H.; Eichfeld, Sarah M.; Robinson, Joshua A.; Balatsky, Alexander V.

    2017-01-01

    Using quantum tunneling of electrons into vibrating surface atoms, phonon oscillations can be observed on the atomic scale. Phonon interference patterns with unusually large signal amplitudes have been revealed by scanning tunneling microscopy in intercalated van der Waals heterostructures. Our results show that the effective radius of these phonon quasi-bound states, the real-space distribution of phonon standing wave amplitudes, the scattering phase shifts, and the nonlinear intermode coupling strongly depend on the presence of defect-induced scattering resonance. The observed coherence of these quasi-bound states most likely arises from phase- and frequency-synchronized dynamics of all phonon modes, and indicates the formation of many-body condensate of optical phonons around resonant defects. We found that increasing the strength of the scattering resonance causes the increase of the condensate droplet radius without affecting the condensate fraction inside it. The condensate can be observed at room temperature. PMID:28225066

  8. Influence of phonon-phonon coupling on superconducting state in honeycomb-type crystal lattice

    NASA Astrophysics Data System (ADS)

    Drzazga, E. A.; Szczȩśniak, R.; Domagalska, I. A.

    2018-01-01

    We have taken into account the superconducting state inducing in the crystal lattice of the honeycomb-type. In the framework of the Eliashberg theory, we have determined the thermodynamic properties of the system. The phonon spectral function, which is the input parameter in the Eliashberg equations, has been calculated by using the thermodynamic Green functions. We have considered the model of the coupled Einstein oscillators with frequency ω0 = 100 meV. We have shown that the increasing inter-phonon coupling constant (f) causes the rapid growth of the critical temperature ([TC]max = 36.2 K) just below the maximum value of f equal to 0.25ω0. Simultaneously, the order parameter and the thermodynamic critical field take the values increasingly distant from the predictions of the BCS theory, which results from the strong-coupling and the retardation effects.

  9. Probe And Enhancement Of SBS Based Phonons In Infrared Fibers Using Waveguide Coupled External Radiation

    NASA Astrophysics Data System (ADS)

    Yu, Chung; Chong, Yat C.; Fong, Chee K.

    1989-06-01

    Interaction of GHz and MHz radiation with CO2 laser propagation in a silver halide fiber using sBs based phonon coupling is furthet investigated. The external signal serves to both probe and enhance laser generated sBs phonons in the fiber. Efficient coupling of microwave radiation into the fiber is accomplished by placing the fiber in a hollow metallic waveguide, designed and constructed to transmit the dominant mode in the 0.9-2.0 GHz band. MHz radiation is conveniently coupled into the fiber using the guided microwave radiation as carrier. Phonon emissions from the fiber under CO2 laser pumping are first established on a spectrum analyzer; low frequency generators ale then tuned to match these frequencies and their maximum interaction recorded. Such interactions are systematically studied by monitoring the amplitude and waveform of the reflected and transmitted laser pulse at various power levels and frequencies of the externally coupled radiation. A plot of reflected laser power versus incident laser power reveals a distinct sBs generated phonon threshold. Variouslaunch directions of the GHz and MHz radiation with respect to the direction of laser propagation are realized to verify theory governing sBs interactions. The MHz radiation and its associated phonons in the fiber are convenient tools for probing sBs related phenomenon in infrared fibers.

  10. Comparison of three empirical force fields for phonon calculations in CdSe quantum dots

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kelley, Anne Myers

    Three empirical interatomic force fields are parametrized using structural, elastic, and phonon dispersion data for bulk CdSe and their predictions are then compared for the structures and phonons of CdSe quantum dots having average diameters of ~2.8 and ~5.2 nm (~410 and ~2630 atoms, respectively). The three force fields include one that contains only two-body interactions (Lennard-Jones plus Coulomb), a Tersoff-type force field that contains both two-body and three-body interactions but no Coulombic terms, and a Stillinger-Weber type force field that contains Coulombic interactions plus two-body and three-body terms. While all three force fields predict nearly identical peak frequencies formore » the strongly Raman-active “longitudinal optical” phonon in the quantum dots, the predictions for the width of the Raman peak, the peak frequency and width of the infrared absorption peak, and the degree of disorder in the structure are very different. The three force fields also give very different predictions for the variation in phonon frequency with radial position (core versus surface). The Stillinger-Weber plus Coulomb type force field gives the best overall agreement with available experimental data.« less

  11. Prediction of phonon-mediated superconductivity in hole-doped black phosphorus.

    PubMed

    Feng, Yanqing; Sun, Hongyi; Sun, Junhui; Lu, Zhibin; You, Yong

    2018-01-10

    We study the conventional electron-phonon mediated superconducting properties of hole-doped black phosphorus by density functional calculations and get quite a large electron-phonon coupling (EPC) constant λ ~ 1.0 with transition temperature T C ~ 10 K, which is comparable to MgB 2 when holes are doped into the degenerate and nearly flat energy bands around the Fermi level. We predict that the softening of low-frequency [Formula: see text] optical mode and its phonon displacement, which breaks the lattice nonsymmorphic symmetry of gliding plane and lifts the band double degeneracy, lead to a large EPC. These factors are favorable for BCS superconductivity.

  12. Prediction of phonon-mediated superconductivity in hole-doped black phosphorus

    NASA Astrophysics Data System (ADS)

    Feng, Yanqing; Sun, Hongyi; Sun, Junhui; Lu, Zhibin; You, Yong

    2018-01-01

    We study the conventional electron-phonon mediated superconducting properties of hole-doped black phosphorus by density functional calculations and get quite a large electron-phonon coupling (EPC) constant λ ~ 1.0 with transition temperature T C ~ 10 K, which is comparable to MgB2 when holes are doped into the degenerate and nearly flat energy bands around the Fermi level. We predict that the softening of low-frequency B3g1 optical mode and its phonon displacement, which breaks the lattice nonsymmorphic symmetry of gliding plane and lifts the band double degeneracy, lead to a large EPC. These factors are favorable for BCS superconductivity.

  13. Interaction of charge carriers with lattice and molecular phonons in crystalline pentacene

    NASA Astrophysics Data System (ADS)

    Girlando, Alberto; Grisanti, Luca; Masino, Matteo; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta

    2011-08-01

    The computational protocol we have developed for the calculation of local (Holstein) and non-local (Peierls) carrier-phonon coupling in molecular organic semiconductors is applied to both the low temperature and high temperature bulk crystalline phases of pentacene. The electronic structure is calculated by the semimpirical INDO/S (Intermediate Neglect of Differential Overlap with Spectroscopic parametrization) method. In the phonon description, the rigid molecule approximation is removed, allowing mixing of low-frequency intra-molecular modes with inter-molecular (lattice) phonons. A clear distinction remains between the low-frequency phonons, which essentially modulate the transfer integral from a molecule to another (Peierls coupling), and the high-frequency intra-molecular phonons, which modulate the on-site energy (Holstein coupling). The results of calculation agree well with the values extracted from experiment. The comparison with similar calculations made for rubrene allows us to discuss the implications for the current models of mobility.

  14. Variable-Range Hopping through Marginally Localized Phonons

    NASA Astrophysics Data System (ADS)

    Banerjee, Sumilan; Altman, Ehud

    2016-03-01

    We investigate the effect of coupling Anderson localized particles in one dimension to a system of marginally localized phonons having a symmetry protected delocalized mode at zero frequency. This situation is naturally realized for electrons coupled to phonons in a disordered nanowire as well as for ultracold fermions coupled to phonons of a superfluid in a one-dimensional disordered trap. To determine if the coupled system can be many-body localized we analyze the phonon-mediated hopping transport for both the weak and strong coupling regimes. We show that the usual variable-range hopping mechanism involving a low-order phonon process is ineffective at low temperature due to discreteness of the bath at the required energy. Instead, the system thermalizes through a many-body process involving exchange of a diverging number n ∝-log T of phonons in the low temperature limit. This effect leads to a highly singular prefactor to Mott's well-known formula and strongly suppresses the variable range hopping rate. Finally, we comment on possible implications of this physics in higher dimensional electron-phonon coupled systems.

  15. Magneto-optical absorption and cyclotron-phonon resonance in graphene monolayer

    NASA Astrophysics Data System (ADS)

    Hoi, Bui Dinh; Phuong, Le Thi Thu; Phong, Tran Cong

    2018-03-01

    The optical absorption power by Dirac fermions in a graphene monolayer subjected to a perpendicular magnetic field is calculated using a projection operator technique. The electron-optical phonon interaction with optical deformation potential is taken into account. By varying the photon frequency (energy), we observe in the absorption power a series of cyclotron-phonon resonance (CPR) peaks (i.e., the phonon-assisted cyclotron resonance). It is seen that the resonant photon energy is linearly proportional to the square root of the magnetic field. Also, the half width at half maximum (HWHM) of CPR peaks depends on the magnetic field by the law HWHM = 7.42 √{B } but does not depend on the temperature. In particular, the magnetic field and temperature dependences of the position and HWHM of CPR peaks are in good agreement with those obtained recently by the perturbation theory and an experiment in graphene.

  16. Scanning Tunneling Microscopy Observation of Phonon Condensate

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Altfeder, Igor; Balatsky, Alexander V.; Voevodin, Andrey A.

    Using quantum tunneling of electrons into vibrating surface atoms, phonon oscillations can be observed on the atomic scale. Phonon interference patterns with unusually large signal amplitudes have been revealed by scanning tunneling microscopy in intercalated van der Waals heterostructures. Our results show that the effective radius of these phonon quasi-bound states, the real-space distribution of phonon standing wave amplitudes, the scattering phase shifts, and the nonlinear intermode coupling strongly depend on the presence of defect-induced scattering resonance. The observed coherence of these quasi-bound states most likely arises from phase- and frequency-synchronized dynamics of all phonon modes, and indicates the formationmore » of many-body condensate of optical phonons around resonant defects. We found that increasing the strength of the scattering resonance causes the increase of the condensate droplet radius without affecting the condensate fraction inside it. The condensate can be observed at room temperature.« less

  17. Scanning Tunneling Microscopy Observation of Phonon Condensate

    DOE PAGES

    Altfeder, Igor; Balatsky, Alexander V.; Voevodin, Andrey A.; ...

    2017-02-22

    Using quantum tunneling of electrons into vibrating surface atoms, phonon oscillations can be observed on the atomic scale. Phonon interference patterns with unusually large signal amplitudes have been revealed by scanning tunneling microscopy in intercalated van der Waals heterostructures. Our results show that the effective radius of these phonon quasi-bound states, the real-space distribution of phonon standing wave amplitudes, the scattering phase shifts, and the nonlinear intermode coupling strongly depend on the presence of defect-induced scattering resonance. The observed coherence of these quasi-bound states most likely arises from phase- and frequency-synchronized dynamics of all phonon modes, and indicates the formationmore » of many-body condensate of optical phonons around resonant defects. We found that increasing the strength of the scattering resonance causes the increase of the condensate droplet radius without affecting the condensate fraction inside it. The condensate can be observed at room temperature.« less

  18. Enhancement of phonon backscattering due to confinement of ballistic phonon pathways in silicon as studied with a microfabricated phonon spectrometer

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Otelaja, O. O.; Robinson, R. D., E-mail: rdr82@cornell.edu

    2015-10-26

    In this work, the mechanism for enhanced phonon backscattering in silicon is investigated. An understanding of phonon propagation through substrates has implications for engineering heat flow at the nanoscale, for understanding sources of decoherence in quantum systems, and for realizing efficient phonon-mediated particle detectors. In these systems, phonons that backscatter from the bottom of substrates, within the crystal or from interfaces, often contribute to the overall detector signal. We utilize a microscale phonon spectrometer, comprising superconducting tunnel junction emitters and detectors, to specifically probe phonon backscattering in silicon substrates (∼500 μm thick). By etching phonon “enhancers” or deep trenches (∼90 μm) aroundmore » the detectors, we show that the backscattered signal level increases by a factor of ∼2 for two enhancers versus one enhancer. Using a geometric analysis of the phonon pathways, we show that the mechanism of the backscattered phonon enhancement is due to confinement of the ballistic phonon pathways and increased scattering off the enhancer walls. Our result is applicable to the geometric design and patterning of substrates that are employed in phonon-mediated detection devices.« less

  19. Band structure analysis of leaky Bloch waves in 2D phononic crystal plates.

    PubMed

    Mazzotti, Matteo; Miniaci, Marco; Bartoli, Ivan

    2017-02-01

    A hybrid Finite Element-Plane Wave Expansion method is presented for the band structure analysis of phononic crystal plates with two dimensional lattice that are in contact with acoustic half-spaces. The method enables the computation of both real (propagative) and imaginary (attenuation) components of the Bloch wavenumber at any given frequency. Three numerical applications are presented: a benchmark dispersion analysis for an oil-loaded Titanium isotropic plate, the band structure analysis of a water-loaded Tungsten slab with square cylindrical cavities and a phononic crystal plate composed of Aurum cylinders embedded in an epoxy matrix. Copyright © 2016 Elsevier B.V. All rights reserved.

  20. Temperature Dependence of Brillouin Light Scattering Spectra of Acoustic Phonons in Silicon

    NASA Astrophysics Data System (ADS)

    Somerville, Kevin; Klimovich, Nikita; An, Kyongmo; Sullivan, Sean; Weathers, Annie; Shi, Li; Li, Xiaoqin

    2015-03-01

    Thermal management represents an outstanding challenge in many areas of technology. Electrons, optical phonons, and acoustic phonons are often driven out of local equilibrium in electronic devices or during laser-material interaction processes. Interest in non-equilibrium transport processes has motivated the development of Raman spectroscopy as a local temperature sensor of optical phonons and intermediate frequency acoustic phonons, whereas Brillouin light scattering (BLS) has recently been explored as a temperature sensor of low-frequency acoustic phonons. Here, we report temperature dependent BLS spectra of silicon, with Raman spectra taken simultaneously for comparison. The origins of the observed temperature dependence of the BLS peak position, linewidth, and intensity are examined in order to evaluate their potential use as temperature sensors for acoustic phonons. We determine that the integrated BLS intensity can be used measure the temperature of specific acoustic phonon modes. This work is supported by National Science Foundation (NSF) Thermal Transport Processes Program under Grant CBET-1336968.

  1. Imaginary parts of coupled electron and phonon propagators

    NASA Astrophysics Data System (ADS)

    Schwartzman, K.; Lawrence, W. E.

    1988-01-01

    Quasiparticle and phonon damping rates due to the electron-phonon and Coulomb interactions are obtained directly from the self-energy formalism of strong-coupling theory. This accounts for all processes involving phonon or quasiparticle decay into a single particle-hole pair, or quasiparticle decay by emission or absorption of a single real phonon. The two quasiparticle decay modes are treated on a common footing, without ad hoc separation, by accounting fully for the dynamics of the phonon propagator and the Coulomb vertex-the latter by expansion of the four-point Coulomb vertex function. The results are shown to be expressible in terms of only the physical (i.e., fully renormalized) energies and coupling constants, and are written in terms of spectral functions such as α2F(ω) and its generalizations. Expansion of these in powers of a phonon linewidth parameter distinguishes (in lowest orders) between quasiparticle decay modes involving real and virtual phonons. However, the simplest prescription for calculating decay rates involves an effective scattering amplitude in which this distinction is not made.

  2. Renormalisation of Nonequilibrium Phonons Under Strong Perturbative Influences.

    NASA Astrophysics Data System (ADS)

    Mehta, Sushrut Madhukar

    Effects of strong perturbative influences, namely the presence of a narrow distribution of acoustic phonons, and the presence of an electron plasma, on the dynamics of nonequilibrium, near zone center, longitudinal optical phonons in GaP have been investigated in two separate experiments. The study of the effects of the interaction between the LO phonons and a heavily populated, narrow distribution of acoustic phonons lead to the observation of a new optically driven nonequilibrium phonon state. Time Resolved Coherent Antistokes Raman Scattering (TR-CARS), with picosecond resolution, was used to investigate the new mode. In order to achieve high occupation numbers in the acoustic branch, the picosecond laser pulses used were amplified up to 1.0 GW/cm^2 peak power per laser beam. An important characteristic property of the new state which differentiates it from the well known LO phonon state is the fact that rather than having the single decay rate observed under thermal equilibrium, the new state has two decay rates. Moreover, these two decay rates depend strongly on the distribution of the acoustic phonon occupation number. The coupling of the LO phonons with an electron plasma, on the other hand, was investigated by measurements of the shape of the Raman scattered line associated with the phonon-plasmon coupled mode. The plasma was generated by thermal excitation of carriers in doped samples. It was possible to study a large variety of plasma excitations by controlling the concentration of the dopant and the ambient temperature. A complete, self consistant model based on standard dielectric response theory is presented, and applied to the measurements of the phonon-plasmon coupled mode. It is possible to recover, via this model, the effective coupled mode damping rate, the plasma damping rate, and the plasma frequency as functions of ambient temperature, or the carrier concentration.

  3. Fiber optical vibrometer based on a phononic crystal filter

    NASA Astrophysics Data System (ADS)

    Lin, Sijing; Chai, Quan; Zhang, Jianzhong

    2012-02-01

    We propose that phononic crystals could be used as a packaging method in a fiber optical vibrometer system to filter the vibration at unwanted frequency range. A simple FBG based vibrometer and a aluminum-silicone rubber based 1D phononic crystal with the designed phononic band gap are built up, and the corresponding experimental results are demonstrated to show the feasibility of our proposal. Our proposal also points out that optical fiber sensors could be an excellent candidate to research the inner acoustic response of more complex phononic crystals.

  4. Quantum non-demolition phonon counter with a hybrid optomechnical system

    NASA Astrophysics Data System (ADS)

    Song, Qiao; Zhang, KeYe; Dong, Ying; Zhang, WeiPing

    2018-05-01

    A phonon counting scheme based on the control of polaritons in an optomechanical system is proposed. This approach permits us to measure the number of phonons in a quantum non-demolition (QND) manner for arbitrary modes not limited by the frequency matching condition as in usual photon-phonon scattering detections. The performance on phonon number transfer and quantum state transfer of the counter are analyzed and simulated numerically by taking into account all relevant sources of noise.

  5. Bloch wave deafness and modal conversion at a phononic crystal boundary

    NASA Astrophysics Data System (ADS)

    Laude, Vincent; Moiseyenko, Rayisa P.; Benchabane, Sarah; Declercq, Nico F.

    2011-12-01

    We investigate modal conversion at the boundary between a homogeneous incident medium and a phononic crystal, with consideration of the impact of symmetry on the excitation of Bloch waves. We give a quantitative criterion for the appearance of deaf Bloch waves, which are antisymmetric with respect to a symmetry axis of the phononic crystal, in the frame of generalized Fresnel formulas for reflection and transmission at the phononic crystal boundary. This criterion is used to index Bloch waves in the complex band structure of the phononic crystal, for directions of incidence along a symmetry axis. We argue that within deaf frequency ranges transmission is multi-exponential, as it is within frequency band gaps.

  6. Phonon thermal transport through tilt grain boundaries in strontium titanate

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zheng, Zexi; Chen, Xiang; Yang, Shengfeng

    2014-08-21

    In this work, we perform nonequilibrium molecular dynamics simulations to study phonon scattering at two tilt grain boundaries (GBs) in SrTiO{sub 3}. Mode-wise energy transmission coefficients are obtained based on phonon wave-packet dynamics simulations. The Kapitza conductance is then quantified using a lattice dynamics approach. The obtained results of the Kapitza conductance of both GBs compare well with those obtained by the direct method, except for the temperature dependence. Contrary to common belief, the results of this work show that the optical modes in SrTiO{sub 3} contribute significantly to phonon thermal transport, accounting for over 50% of the Kapitza conductance.more » To understand the effect of the GB structural disorder on phonon transport, we compare the local phonon density of states of the atoms in the GB region with that in the single crystalline grain region. Our results show that the excess vibrational modes introduced by the structural disorder do not have a significant effect on phonon scattering at the GBs, but the absence of certain modes in the GB region appears to be responsible for phonon reflections at GBs. This work has also demonstrated phonon mode conversion and simultaneous generation of new modes. Some of the new modes have the same frequency as the initial wave packet, while some have the same wave vector but lower frequencies.« less

  7. Raman spectroscopy and electron-phonon coupling in Eu3+ doped Gd2Zr2O7 nanopowders

    NASA Astrophysics Data System (ADS)

    Krizan, G.; Gilic, M.; Ristic-Djurovic, J. L.; Trajic, J.; Romcevic, M.; Krizan, J.; Hadzic, B.; Vasic, B.; Romcevic, N.

    2017-11-01

    The Raman spectra of Eu3+ doped Gd2Zr2O7 nanopowders were measured. We registered three phonons at 177 cm-1, 268 cm-1, and 592 cm-1, as well as their overtones at 354 cm-1, 445 cm-1, 708 cm-1, 1062 cm-1, 1184 cm-1, ∼1530 cm-1, and ∼1720 cm-1. The phonon at 592 cm-1 is known to be characteristic for Gd2Zr2O7 fluorite-type structure; however, the other two have not been registered so far. We found that the position of the newly detected phonons agrees well with the observed electron-phonon interaction. On the other hand, the registered multiphonon processes were a consequence of miniaturization that further induced changes in electronic structure of Eu3+ doped Gd2Zr2O7 nanopowders.

  8. Plasphonics: local hybridization of plasmons and phonons.

    PubMed

    Marty, Renaud; Mlayah, Adnen; Arbouet, Arnaud; Girard, Christian; Tripathy, Sudhiranjan

    2013-02-25

    We show that the interaction between localized surface plasmons sustained by a metallic nano-antenna and delocalized phonons lying at the surface of an heteropolar semiconductor can generate a new class of hybrid electromagnetic modes. These plasphonic modes are investigated using an analytical model completed by accurate Green dyadic numerical simulations. When surface plasmon and surface phonon frequencies match, the optical resonances exhibit a large Rabi splitting typical of strongly interacting two-level systems. Based on numerical simulations of the electric near-field maps, we investigate the nature of the plaphonic excitations. In particular, we point out a strong local field enhancement boosted by the phononic surface. This effect is interpreted in terms of light harvesting by the plasmonic antenna from the phononic surface. We thus introduce the concept of active phononic surfaces that may be exploited for far-infared optoelectronic devices and sensors.

  9. Acoustic phonon spectrum engineering in bulk crystals via incorporation of dopant atoms

    NASA Astrophysics Data System (ADS)

    Kargar, Fariborz; Penilla, Elias H.; Aytan, Ece; Lewis, Jacob S.; Garay, Javier E.; Balandin, Alexander A.

    2018-05-01

    We report results of Brillouin—Mandelstam spectroscopy of transparent Al2O3 crystals with Nd dopants. The ionic radius and atomic mass of Nd atoms are distinctively different from those of the host Al atoms. Our results show that even a small concentration of Nd atoms incorporated into the Al2O3 samples produces a profound change in the acoustic phonon spectrum. The velocity of the transverse acoustic phonons decreases by ˜600 m/s at the Nd density of only ˜0.1%. Interestingly, the decrease in the phonon frequency and velocity with the doping concentration is non-monotonic. The obtained results, demonstrating that modification of the acoustic phonon spectrum can be achieved not only by traditional nanostructuring but also by low-concentration doping, have important implications for thermal management as well as thermoelectric and optoelectronic devices.

  10. Nonlinear control of high-frequency phonons in spider silk

    NASA Astrophysics Data System (ADS)

    Schneider, Dirk; Gomopoulos, Nikolaos; Koh, Cheong Y.; Papadopoulos, Periklis; Kremer, Friedrich; Thomas, Edwin L.; Fytas, George

    2016-10-01

    Spider dragline silk possesses superior mechanical properties compared with synthetic polymers with similar chemical structure due to its hierarchical structure comprised of partially crystalline oriented nanofibrils. To date, silk’s dynamic mechanical properties have been largely unexplored. Here we report an indirect hypersonic phononic bandgap and an anomalous dispersion of the acoustic-like branch from inelastic (Brillouin) light scattering experiments under varying applied elastic strains. We show the mechanical nonlinearity of the silk structure generates a unique region of negative group velocity, that together with the global (mechanical) anisotropy provides novel symmetry conditions for gap formation. The phononic bandgap and dispersion show strong nonlinear strain-dependent behaviour. Exploiting material nonlinearity along with tailored structural anisotropy could be a new design paradigm to access new types of dynamic behaviour.

  11. Efficient excitation of nonlinear phonons via chirped pulses: Induced structural phase transitions

    NASA Astrophysics Data System (ADS)

    Itin, A. P.; Katsnelson, M. I.

    2018-05-01

    Nonlinear phononics play important role in strong laser-solid interactions. We discuss a dynamical protocol for efficient phonon excitation, considering recent inspiring proposals: inducing ferroelectricity in paraelectric perovskites, and inducing structural deformations in cuprates [Subedi et al., Phys. Rev. B 89, 220301(R) (2014), 10.1103/PhysRevB.89.220301; Phys. Rev. B 95, 134113 (2017), 10.1103/PhysRevB.95.134113]. High-frequency phonon modes are driven by midinfrared pulses, and coupled to lower-frequency modes those indirect excitations cause structural deformations. We study in more detail the case of KTaO3 without strain, where it was not possible to excite the needed low-frequency phonon mode by resonant driving of the higher frequency one. Behavior of the system is explained using a reduced model of coupled driven nonlinear oscillators. We find a dynamical mechanism which prevents effective excitation at resonance driving. To induce ferroelectricity, we employ driving with sweeping frequency, realizing so-called capture into resonance. The method can be applied to many other related systems.

  12. Laboratory investigation on the role of tubular shaped micro resonators phononic crystal insertion on the absorption coefficient of profiled sound absorber

    NASA Astrophysics Data System (ADS)

    Yahya, I.; Kusuma, J. I.; Harjana; Kristiani, R.; Hanina, R.

    2016-02-01

    This paper emphasizes the influence of tubular shaped microresonators phononic crystal insertion on the sound absorption coefficient of profiled sound absorber. A simple cubic and two different bodies centered cubic phononic crystal lattice model were analyzed in a laboratory test procedure. The experiment was conducted by using transfer function based two microphone impedance tube method refer to ASTM E-1050-98. The results show that sound absorption coefficient increase significantly at the mid and high-frequency band (600 - 700 Hz) and (1 - 1.6 kHz) when tubular shaped microresonator phononic crystal inserted into the tested sound absorber element. The increment phenomena related to multi-resonance effect that occurs when sound waves propagate through the phononic crystal lattice model that produce multiple reflections and scattering in mid and high-frequency band which increases the sound absorption coefficient accordingly

  13. Electronic, phonon and superconducting properties of LaPtBi half-Heusler compound

    NASA Astrophysics Data System (ADS)

    Shrivastava, Deepika; Sanyal, Sankar P.

    2018-05-01

    In the framework of density functional theory based on plane wave pseudopotential method and linear response technique, we have studied the electronic, phonon and superconducting properties of LaPtBi half-Heusler compound. The electronic band structure and density of states show that it is gapless semiconductor which is consistent with previous results. The positive phonon frequencies confirm the stability of this compound in cubic MgAgAs phase. Superconductivity is studied in terms of Eliashberg spectral function (α2F(ω)), electron-phonon coupling constants (λ). The value of electron-phonon coupling parameter is found to be 0.41 and the superconducting transition temperature is calculated to be 0.76 K, in excellent agreement with the experimentally reported values.

  14. On-chip photonic-phononic emitter-receiver apparatus

    DOEpatents

    Cox, Jonathan Albert; Jarecki, Jr., Robert L.; Rakich, Peter Thomas; Wang, Zheng; Shin, Heedeuk; Siddiqui, Aleem; Starbuck, Andrew Lea

    2017-07-04

    A radio-frequency photonic devices employs photon-phonon coupling for information transfer. The device includes a membrane in which a two-dimensionally periodic phononic crystal (PnC) structure is patterned. The device also includes at least a first optical waveguide embedded in the membrane. At least a first line-defect region interrupts the PnC structure. The first optical waveguide is embedded within the line-defect region.

  15. Temperature dependent magnon-phonon coupling in bcc Fe from theory and experiment.

    PubMed

    Körmann, F; Grabowski, B; Dutta, B; Hickel, T; Mauger, L; Fultz, B; Neugebauer, J

    2014-10-17

    An ab initio based framework for quantitatively assessing the phonon contribution due to magnon-phonon interactions and lattice expansion is developed. The theoretical results for bcc Fe are in very good agreement with high-quality phonon frequency measurements. For some phonon branches, the magnon-phonon interaction is an order of magnitude larger than the phonon shift due to lattice expansion, demonstrating the strong impact of magnetic short-range order even significantly above the Curie temperature. The framework closes the previous simulation gap between the ferro- and paramagnetic limits.

  16. Research on bandgaps in two-dimensional phononic crystal with two resonators.

    PubMed

    Gao, Nansha; Wu, Jiu Hui; Yu, Lie

    2015-02-01

    In this paper, the bandgap properties of a two-dimensional phononic crystal with the two resonators is studied and embedded in a homogenous matrix. The resonators are not connected with the matrix but linked with connectors directly. The dispersion relationship, transmission spectra, and displacement fields of the eigenmodes of this phononic crystal are studied with finite-element method. In contrast to the phononic crystals with one resonators and hollow structure, the proposed structures with two resonators can open bandgaps at lower frequencies. This is a very interesting and useful phenomenon. Results show that, the opening of the bandgaps is because of the local resonance and the scattering interaction between two resonators and matrix. An equivalent spring-pendulum model can be developed in order to evaluate the frequencies of the bandgap edge. The study in this paper is beneficial to the design of opening and tuning bandgaps in phononic crystals and isolators in low-frequency range. Copyright © 2014 Elsevier B.V. All rights reserved.

  17. THz acoustic phonon spectroscopy and nanoscopy by using piezoelectric semiconductor heterostructures.

    PubMed

    Mante, Pierre-Adrien; Huang, Yu-Ru; Yang, Szu-Chi; Liu, Tzu-Ming; Maznev, Alexei A; Sheu, Jinn-Kong; Sun, Chi-Kuang

    2015-02-01

    Thanks to ultrafast acoustics, a better understanding of acoustic dynamics on a short time scale has been obtained and new characterization methods at the nanoscale have been developed. Among the materials that were studied during the development of ultrafast acoustics, nitride based heterostructures play a particular role due to their piezoelectric properties and the possibility to generate phonons with over-THz frequency and bandwidth. Here, we review some of the work performed using this type of structure, with a focus on THz phonon spectroscopy and nanoscopy. First, we present a brief description of the theory of coherent acoustic phonon generation by piezoelectric heterostructure. Then the first experimental observation of coherent acoustic phonon generated by the absorption of ultrashort light pulses in piezoelectric heterostructures is presented. From this starting point, we then present some methods developed to realize customizable phonon generation. Finally we review some more recent applications of these structures, including imaging with a nanometer resolution, broadband attenuation measurements with a frequency up to 1THz and phononic bandgap characterization. Copyright © 2014 Elsevier B.V. All rights reserved.

  18. Coherent Excitation of Optical Phonons in GaAs by Broadband Terahertz Pulses

    PubMed Central

    Fu, Zhengping; Yamaguchi, Masashi

    2016-01-01

    Coherent excitation and control of lattice motion by electromagnetic radiation in optical frequency range has been reported through variety of indirect interaction mechanisms with phonon modes. However, coherent phonon excitation by direct interaction of electromagnetic radiation and nuclei has not been demonstrated experimentally in terahertz (THz) frequency range mainly due to the lack of THz emitters with broad bandwidth suitable for the purpose. We report the experimental observation of coherent phonon excitation and detection in GaAs using ultrafast THz-pump/optical-probe scheme. From the results of THz pump field dependence, pump/probe polarization dependence, and crystal orientation dependence, we attributed THz wave absorption and linear electro-optic effect to the excitation and detection mechanisms of coherent polar TO phonons. Furthermore, the carrier density dependence of the interaction of coherent phonons and free carriers is reported. PMID:27905563

  19. Phonon-based scalable platform for chip-scale quantum computing

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Reinke, Charles M.; El-Kady, Ihab

    Here, we present a scalable phonon-based quantum computer on a phononic crystal platform. Practical schemes involve selective placement of a single acceptor atom in the peak of the strain field in a high-Q phononic crystal cavity that enables coupling of the phonon modes to the energy levels of the atom. We show theoretical optimization of the cavity design and coupling waveguide, along with estimated performance figures of the coupled system. A qubit can be created by entangling a phonon at the resonance frequency of the cavity with the atom states. Qubits based on this half-sound, half-matter quasi-particle, called a phoniton,more » may outcompete other quantum architectures in terms of combined emission rate, coherence lifetime, and fabrication demands.« less

  20. Phonon-based scalable platform for chip-scale quantum computing

    DOE PAGES

    Reinke, Charles M.; El-Kady, Ihab

    2016-12-19

    Here, we present a scalable phonon-based quantum computer on a phononic crystal platform. Practical schemes involve selective placement of a single acceptor atom in the peak of the strain field in a high-Q phononic crystal cavity that enables coupling of the phonon modes to the energy levels of the atom. We show theoretical optimization of the cavity design and coupling waveguide, along with estimated performance figures of the coupled system. A qubit can be created by entangling a phonon at the resonance frequency of the cavity with the atom states. Qubits based on this half-sound, half-matter quasi-particle, called a phoniton,more » may outcompete other quantum architectures in terms of combined emission rate, coherence lifetime, and fabrication demands.« less

  1. Phononic crystals of spherical particles: A tight binding approach

    NASA Astrophysics Data System (ADS)

    Mattarelli, M.; Secchi, M.; Montagna, M.

    2013-11-01

    The vibrational dynamics of a fcc phononic crystal of spheres is studied and compared with that of a single free sphere, modelled either by a continuous homogeneous medium or by a finite cluster of atoms. For weak interaction among the spheres, the vibrational dynamics of the phononic crystal is described by shallow bands, with low degree of dispersion, corresponding to the acoustic spheroidal and torsional modes of the single sphere. The phonon displacements are therefore related to the vibrations of a sphere, as the electron wave functions in a crystal are related to the atomic wave functions in a tight binding model. Important dispersion is found for the two lowest phonon bands, which correspond to zero frequency free translation and rotation of a free sphere. Brillouin scattering spectra are calculated at some values of the exchanged wavevectors of the light, and compared with those of a single sphere. With weak interaction between particles, given the high acoustic impedance mismatch in dry systems, the density of phonon states consist of sharp bands separated by large gaps, which can be well accounted for by a single particle model. Based on the width of the frequency gaps, tunable with the particle size, and on the small number of dispersive acoustic phonons, such systems may provide excellent materials for application as sound or heat filters.

  2. Structural imaging of nanoscale phonon transport in ferroelectrics excited by metamaterial-enhanced terahertz fields

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhu, Yi; Chen, Frank; Park, Joonkyu

    Nanoscale phonon transport is a key process that governs thermal conduction in a wide range of materials and devices. Creating controlled phonon populations by resonant excitation at terahertz (THz) frequencies can drastically change the characteristics of nanoscale thermal transport and allow a direct real-space characterization of phonon mean-free paths. Using metamaterial-enhanced terahertz excitation, we tailored a phononic excitation by selectively populating low-frequency phonons within a nanoscale volume in a ferroelectric BaTiO3 thin film. Real-space time-resolved x-ray diffraction microscopy following THz excitation reveals ballistic phonon transport over a distance of hundreds of nm, two orders of magnitude longer than the averagedmore » phonon mean-free path in BaTiO3. On longer length scales, diffusive phonon transport dominates the recovery of the transient strain response, largely due to heat conduction into the substrate. The measured real-space phonon transport can be directly compared with the phonon mean-free path as predicted by molecular dynamics modeling. This time-resolved real-space visualization of THz-matter interactions opens up opportunities to engineer and image nanoscale transient structural states with new functionalities.« less

  3. Structural imaging of nanoscale phonon transport in ferroelectrics excited by metamaterial-enhanced terahertz fields

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhu, Yi; Chen, Frank; Park, Joonkyu

    Nanoscale phonon transport is a key process that governs thermal conduction in a wide range of materials and devices. Creating controlled phonon populations by resonant excitation at terahertz (THz) frequencies can drastically change the characteristics of nanoscale thermal transport and allow a direct real-space characterization of phonon mean-free paths. Using metamaterial-enhanced terahertz excitation, we tailored a phononic excitation by selectively populating low-frequency phonons within a nanoscale volume in a ferroelectric BaTiO 3 thin film. Real-space time-resolved x-ray diffraction microscopy following THz excitation reveals ballistic phonon transport over a distance of hundreds of nm, two orders of magnitude longer than themore » averaged phonon mean-free path in BaTiO 3. On longer length scales, diffusive phonon transport dominates the recovery of the transient strain response, largely due to heat conduction into the substrate. The measured real-space phonon transport can be directly compared with the phonon mean-free path as predicted by molecular dynamics modeling. In conclusion, this time-resolved real-space visualization of THz-matter interactions opens up opportunities to engineer and image nanoscale transient structural states with new functionalities.« less

  4. Structural imaging of nanoscale phonon transport in ferroelectrics excited by metamaterial-enhanced terahertz fields

    DOE PAGES

    Zhu, Yi; Chen, Frank; Park, Joonkyu; ...

    2017-11-16

    Nanoscale phonon transport is a key process that governs thermal conduction in a wide range of materials and devices. Creating controlled phonon populations by resonant excitation at terahertz (THz) frequencies can drastically change the characteristics of nanoscale thermal transport and allow a direct real-space characterization of phonon mean-free paths. Using metamaterial-enhanced terahertz excitation, we tailored a phononic excitation by selectively populating low-frequency phonons within a nanoscale volume in a ferroelectric BaTiO 3 thin film. Real-space time-resolved x-ray diffraction microscopy following THz excitation reveals ballistic phonon transport over a distance of hundreds of nm, two orders of magnitude longer than themore » averaged phonon mean-free path in BaTiO 3. On longer length scales, diffusive phonon transport dominates the recovery of the transient strain response, largely due to heat conduction into the substrate. The measured real-space phonon transport can be directly compared with the phonon mean-free path as predicted by molecular dynamics modeling. In conclusion, this time-resolved real-space visualization of THz-matter interactions opens up opportunities to engineer and image nanoscale transient structural states with new functionalities.« less

  5. Enhancing phonon flow through one-dimensional interfaces by impedance matching

    NASA Astrophysics Data System (ADS)

    Polanco, Carlos A.; Ghosh, Avik W.

    2014-08-01

    We extend concepts from microwave engineering to thermal interfaces and explore the principles of impedance matching in 1D. The extension is based on the generalization of acoustic impedance to nonlinear dispersions using the contact broadening matrix Γ(ω), extracted from the phonon self energy. For a single junction, we find that for coherent and incoherent phonons, the optimal thermal conductance occurs when the matching Γ(ω) equals the Geometric Mean of the contact broadenings. This criterion favors the transmission of both low and high frequency phonons by requiring that (1) the low frequency acoustic impedance of the junction matches that of the two contacts by minimizing the sum of interfacial resistances and (2) the cut-off frequency is near the minimum of the two contacts, thereby reducing the spillage of the states into the tunneling regime. For an ultimately scaled single atom/spring junction, the matching criterion transforms to the arithmetic mean for mass and the harmonic mean for spring constant. The matching can be further improved using a composite graded junction with an exponential varying broadening that functions like a broadband antireflection coating. There is, however, a trade off as the increased length of the interface brings in additional intrinsic sources of scattering.

  6. Optic phonons and anisotropic thermal conductivity in hexagonal Ge 2Sb 2Te 5

    DOE PAGES

    Mukhopadhyay, Saikat; Lindsay, Lucas R.; Singh, David

    2016-11-16

    The lattice thermal conductivity ($κ$) of hexagonal Ge 2Sb 2Tesub>5 (h-GST) is studied via direct first-principles calculations. We find significant intrinsic anisotropy of ( $κ$ a/$κ$ c~2) of $κ$ in bulk h-GST along different transport directions. The dominant contribution to$κ$ is from optic phonons, ~75%. This is extremely unusual as the acoustic phonon modes carry most of the heat in typical semiconductors and insulators with small unit cells. Very recently, Lee et. al. observed anisotropic in GST thin films and attributed this to thermal resistance of amorphous regions near grain boundaries. However, our results suggest an additional strong intrinsic anisotropymore » for the pure hexagonal phase. This derives from bonding anisotropy along different crystal directions, specifically from weak interlayer coupling, which gives anisotropic phonon dispersions. The phonon spectrum of h-GST has very dispersive optic branches with higher group velocities along the a-axis as compared to flat optic bands along the c-axis. The importance of optic mode contributions for the thermal conductivity in low-$κ$ h-GST is unusual, and development of fundamental physical understanding of these contributions may be critical to better understanding of thermal conduction in other complex layered materials.« less

  7. Simulation of Phonon Spectra in Three-Component Two-Dimensional Crystals of Refractory-Metal Dichalcogenides

    NASA Astrophysics Data System (ADS)

    Alexeev, A. Yu.; Krivosheeva, A. V.; Shaposhnikov, V. L.; Borisenko, V. E.

    2017-09-01

    A model for ab initio calculation of the phonon properties of three-component solid solutions of refractory-metal dichalcogenides was developed based on the assumption that displacements of the same type of chalcogen atoms and decoupled displacements of the metal atoms were identical. The calculated phonon frequencies at the Γ-point for monomolecular layers of MoS2-xSex and MoS2-xTex agreed with existing experimental Raman spectra.

  8. Phononic band gap and wave propagation on polyvinylidene fluoride-based acoustic metamaterials

    NASA Astrophysics Data System (ADS)

    Oltulu, Oral; Simsek, Sevket; Mamedov, Amirullah M.; Ozbay, Ekmel

    2016-12-01

    In the present work, the acoustic band structure of a two-dimensional phononic crystal (PC) containing an organic ferroelectric (PVDF-polyvinylidene fluoride) and topological insulator (SnTe) was investigated by the plane-wave-expansion (PWE) method. Two-dimensional PC with square lattices composed of SnTe cylindrical rods embedded in the PVDF matrix is studied to find the allowed and stop bands for the waves of certain energy. Phononic band diagram ω = ω(k) for a 2D PC, in which non-dimensional frequencies ωa/2πc (c-velocity of wave) were plotted vs. the wavevector k along the Г-X-M-Г path in the square Brillouin zone shows five stop bands in the frequency range between 10 and 110 kHz. The ferroelectric properties of PVDF and the unusual properties of SnTe as a topological material give us the ability to control the wave propagation through the PC over a wide frequency range of 103-106 Hz. SnTe is a discrete component that allows conducting electricity on its surface but shows insulator properties through its bulk volume. Tin telluride is considered as an acoustic topological insulator as the extension of topological insulators into the field of "topological phononics".

  9. Phonon response of some heavy Fermion systems in dynamic limit

    NASA Astrophysics Data System (ADS)

    Sahoo, Jitendra; Shadangi, Namita; Nayak, Pratibindhya

    2017-05-01

    The phonon excitation spectrum of some Heavy Fermion (HF) systems in the presence of electron-phonon interaction is studied in the dynamic limit (ω≠0). The renormalized excitation phonon frequencies (ω˜ = ω/ω0) are evaluated through Periodic Anderson Model (PAM) in the presence of electron-phonon interaction using Zubarev-type double time temperature-dependent Green function. The calculated renormalized phonon energy is analyzed through the plots of (ω˜ = ω/ω0) against temperature for different system parameters like effective coupling strength ‘g’ and the position of f-level ‘d’. The observed behavior is analyzed and found to agree with the general features of HF systems found in experiments. Further, it is observed that in finite but small q-values the propagating phonons harden and change to localized peaks.

  10. Magnon and phonon thermometry with inelastic light scattering

    NASA Astrophysics Data System (ADS)

    Olsson, Kevin S.; An, Kyongmo; Li, Xiaoqin

    2018-04-01

    Spin caloritronics investigates the interplay between the transport of spin and heat. In the spin Seebeck effect, a thermal gradient across a magnetic material generates a spin current. A temperature difference between the energy carriers of the spin and lattice subsystems, namely the magnons and phonons, is necessary for such thermal nonequilibrium generation of spin current. Inelastic light scattering is a powerful method that can resolve the individual temperatures of magnons and phonons. In this review, we discuss the thermometry capabilities of inelastic light scattering for measuring optical and acoustic phonons, as well as magnons. A scattering spectrum offers three temperature sensitive parameters: frequency shift, linewidth, and integrated intensity. We discuss the temperatures measured via each of these parameters for both phonon and magnons. Finally, we discuss inelastic light scattering experiments that have examined the magnon and phonon temperatures in thermal nonequilibrium which are particularly relevant to spin caloritronic phenomena.

  11. Dynamics of monochromatically generated nonequilibrium phonons in LaF3:Pr3+

    NASA Astrophysics Data System (ADS)

    Tolbert, W. A.; Dennis, W. M.; Yen, W. M.

    1990-07-01

    The temporal evolution of nonequilibrium phonon populations in LaF3:Pr3+ is investigated at low temperatures (1.8 K) utilizing pulsed, tunable, monochromatic generation and time-resolved, tunable, narrow-band detection. High occupation number, narrow-band phonon populations are generated via far-infrared pumping of defect-induced one-phonon absorption. Time-resolved, frequency-selective detection is provided by optical sideband absorption. Nonequilibrium phonon decay times are measured and attributed to anharmonic decay.

  12. Influence of defects and doping on phonon transport properties of monolayer MoSe2

    NASA Astrophysics Data System (ADS)

    Yan, Zhequan; Yoon, Mina; Kumar, Satish

    2018-07-01

    The doping of monolayer MoSe2 by tungsten (W) can suppress the Se vacancy concentration, but how doping and resulting change in defect concentration can tune its thermal properties is not understood yet. We use first-principles density functional theory (DFT) along with the phonon Boltzmann transport equation (BTE) to study the phonon transport properties of pristine MoSe2 and W doped MoSe2 with and without the presence of Se vacancies. We found that for samples without Se vacancy, the W doping could enhance the thermal transport of monolayer MoSe2 due to reduced three-phonon scattering phase space. For example, we observed that the 16.7% W doping increases the thermal conductivity of the monolayer MoSe2 with 2% Se vacancy by 80% if all vacancies can be suppressed by W-doping. However, the W doping in the defective MoSe2 amplifies the influence of the phonon scattering caused by the Se vacancies, which results in a further decrease in thermal conductivity of monolayer MoSe2 with defects. This is found to be related with higher phonon density of states of Mo0.83W0.17Se2 and larger mass difference between W and Se atoms compared to Mo and Se atoms. This study deciphers the effect of defects and doping on the thermal conductivity of monolayer MoSe2, which helps us understand the mechanism of defect-induced phonon transport, and provides insights into enhancing the heat dissipation in MoSe2-based electronic devices.

  13. Phonon Spectrum in Hydroxyapatite: Calculations and EPR Study at Low Temperatures

    NASA Astrophysics Data System (ADS)

    Biktagirov, Timur; Gafurov, Marat; Iskhakova, Kamila; Mamin, Georgy; Orlinskii, Sergei

    2016-12-01

    Density functional theory-based calculations within the framework of the plane-wave pseudopotential approach are carried out to define the phonon spectrum of hydroxyapatite Ca_{10}(PO4)6(OH)2 (HAp). It allows to describe the temperature dependence of the electronic spin-lattice relaxation time T_{1e} of the radiation-induced stable radical NO3^{2-} in HAp, which was measured in X-band (9 GHz, magnetic field strength of 0.34 T) in the temperature range T = (10-300) K. It is shown that the temperature behavior of T_{1e} at T> 20 K can be fitted via two-phonon Raman type processes with the Debye temperature Θ D ≈ 280 {K} evaluated from the phonon spectrum.

  14. Real-Time Observation of Exciton-Phonon Coupling Dynamics in Self-Assembled Hybrid Perovskite Quantum Wells.

    PubMed

    Ni, Limeng; Huynh, Uyen; Cheminal, Alexandre; Thomas, Tudor H; Shivanna, Ravichandran; Hinrichsen, Ture F; Ahmad, Shahab; Sadhanala, Aditya; Rao, Akshay

    2017-11-28

    Self-assembled hybrid perovskite quantum wells have attracted attention due to their tunable emission properties, ease of fabrication, and device integration. However, the dynamics of excitons in these materials, especially how they couple to phonons, remains an open question. Here, we investigate two widely used materials, namely, butylammonium lead iodide (CH 3 (CH 2 ) 3 NH 3 ) 2 PbI 4 and hexylammonium lead iodide (CH 3 (CH 2 ) 5 NH 3 ) 2 PbI 4 , both of which exhibit broad photoluminescence tails at room temperature. We performed femtosecond vibrational spectroscopy to obtain a real-time picture of the exciton-phonon interaction and directly identified the vibrational modes that couple to excitons. We show that the choice of the organic cation controls which vibrational modes the exciton couples to. In butylammonium lead iodide, excitons dominantly couple to a 100 cm -1 phonon mode, whereas in hexylammonium lead iodide, excitons interact with phonons with frequencies of 88 and 137 cm -1 . Using the determined optical phonon energies, we analyzed photoluminescence broadening mechanisms. At low temperatures (<100 K), the broadening is due to acoustic phonon scattering, whereas at high temperatures, LO phonon-exciton coupling is the dominant mechanism. Our results help explain the broad photoluminescence line shape observed in hybrid perovskite quantum wells and provide insights into the mechanism of exciton-phonon coupling in these materials.

  15. Photoinduced coherent acoustic phonon dynamics inside Mott insulator Sr2IrO4 films observed by femtosecond X-ray pulses

    NASA Astrophysics Data System (ADS)

    Zhang, Bing-Bing; Liu, Jian; Wei, Xu; Sun, Da-Rui; Jia, Quan-Jie; Li, Yuelin; Tao, Ye

    2017-04-01

    We investigate the transient photoexcited lattice dynamics in a layered perovskite Mott insulator Sr2IrO4 film by femtosecond X-ray diffraction using a laser plasma-based X-ray source. The ultrafast structural dynamics of Sr2IrO4 thin films are determined by observing the shift and broadening of (0012) Bragg diffraction after excitation by 1.5 eV and 3.0 eV pump photons for films with different thicknesses. The observed transient lattice response can be well interpreted as a distinct three-step dynamics due to the propagation of coherent acoustic phonons generated by photoinduced quasiparticles (QPs). Employing a normalized phonon propagation model, we found that the photoinduced angular shifts of the Bragg peak collapse into a universal curve after introducing normalized coordinates to account for different thicknesses and pump photon energies, pinpointing the origin of the lattice distortion and its early evolution. In addition, a transient photocurrent measurement indicates that the photoinduced QPs are charge neutral excitons. Mapping the phonon propagation and correlating its dynamics with the QP by ultrafast X-ray diffraction (UXRD) establish a powerful way to study electron-phonon coupling and uncover the exotic physics in strongly correlated systems under nonequilibrium conditions.

  16. Scattering of phonons by dislocations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Anderson, A. C.

    1979-01-01

    By 1950, an explicit effort had been launched to use lattice thermal conductivity measurements in the investigation of defect structures in solids. This technique has been highly successful, especially when combined with the measurements of other properties such as optical absorption. One exception has been the study of dislocations. Although dislocations have a profound effect on the phonon thermal conductivity, the mechanisms of the phonon-dislocation interaction are poorly understood. The most basic questions are still debated in the literature. It therefore is pointless to attempt a quantitative comparison between an extensive accumulation of experimental data on the one hand, andmore » the numerous theoretical models on the other. Instead, this chapter will attempt to glean a few qualitative conclusions from the existing experimental data. These results will then be compared with two general models which incorporate, in a qualitative manner, most of the proposed theories of the phonon-dislocation interaction. Until very recently, measurement of thermal conductivity was the only means available to probe the interaction between phonons and defects at phonon frequencies above the standard ultrasonic range of approx. = 10/sup 9/ Hz. The introductory paragraphs provide a brief review of the thermal-conductivity technique and the problems which are encountered in practice. There is also a brief presentation of the theoretical models and the complications that may occur in more realistic situations.« less

  17. Revealing the mechanism of passive transport in lipid bilayers via phonon-mediated nanometre-scale density fluctuations

    DOE PAGES

    Zhernenkov, Mikhail; Bolmatov, Dima; Soloviov, Dmitry; ...

    2016-05-12

    We report the high resolution inelastic x-ray study of the in-plane phonon excitations in dipalmitoyl phosphatidylcholine (DPPC) above and below main transition temperature. In the L β' gel phase, we observe high frequency longitudinal phonon mode previously predicted by the molecular dynamics simulations and for the first time, we reveal low frequency weakly dispersive transverse acoustic mode which softens and exhibits a low-frequency phonon gap when the DPPC lipid transitions into the L α fluid phase. The phonon softening of the high frequency longitudinal excitations and the transformation of the transverse excitations upon the phase transition from the L β'more » to L α phase is explained within the framework of the phonon theory of liquids. These findings illustrate the importance of the collective dynamics of biomembranes and reveal that hydrocarbon tails can act as an efficient mediator in controlling the passive transport across the bilayer plane.« less

  18. Phonons in two-dimensional soft colloidal crystals.

    PubMed

    Chen, Ke; Still, Tim; Schoenholz, Samuel; Aptowicz, Kevin B; Schindler, Michael; Maggs, A C; Liu, Andrea J; Yodh, A G

    2013-08-01

    The vibrational modes of pristine and polycrystalline monolayer colloidal crystals composed of thermosensitive microgel particles are measured using video microscopy and covariance matrix analysis. At low frequencies, the Debye relation for two-dimensional harmonic crystals is observed in both crystal types; at higher frequencies, evidence for van Hove singularities in the phonon density of states is significantly smeared out by experimental noise and measurement statistics. The effects of these errors are analyzed using numerical simulations. We introduce methods to correct for these limitations, which can be applied to disordered systems as well as crystalline ones, and we show that application of the error correction procedure to the experimental data leads to more pronounced van Hove singularities in the pristine crystal. Finally, quasilocalized low-frequency modes in polycrystalline two-dimensional colloidal crystals are identified and demonstrated to correlate with structural defects such as dislocations, suggesting that quasilocalized low-frequency phonon modes may be used to identify local regions vulnerable to rearrangements in crystalline as well as amorphous solids.

  19. Low-frequency band gap of locally resonant phononic crystals with a dual-base plate.

    PubMed

    Zuo, Shuguang; Huang, Haidong; Wu, Xudong; Zhang, Minghai; Ni, Tianxin

    2018-03-01

    To achieve a wider band gap and a lower cut-on frequency, a locally resonant phononic crystal (LRPC) with a dual-base plate is investigated in this paper. Compared with the LRPC with a single plate, the band structure of the LRPC with a dual-base plate is calculated using the method of plane wave expansion and verified by the finite element method. According to the analysis of the band curves of the LRPC with a dual-base plate, the mechanisms are explained. Next, the influences of the thickness of the plates, the stiffness of the springs, the mass of resonators, and the lattice constant are also investigated. The results show that the structural asymmetry between the upper and the lower plate is conducive to reducing the cut-on frequency and broadening the band gap effectively. The results indicate a different approach for the application of LRPC in vibration and noise control.

  20. Dynamical Fano-Like Interference between Rabi Oscillations and Coherent Phonons in a Semiconductor Microcavity System.

    PubMed

    Yoshino, S; Oohata, G; Mizoguchi, K

    2015-10-09

    We report on dynamical interference between short-lived Rabi oscillations and long-lived coherent phonons in CuCl semiconductor microcavities resulting from the coupling between the two oscillations. The Fourier-transformed spectra of the time-domain signals obtained from semiconductor microcavities by using a pump-probe technique show that the intensity of the coherent longitudinal optical phonon of CuCl is enhanced by increasing that of the Rabi oscillation, which indicates that the coherent phonon is driven by the Rabi oscillation through the Fröhlich interaction. Moreover, as the Rabi oscillation frequency decreases upon crossing the phonon frequency, the spectral profile of the coherent phonon changes from a peak to a dip with an asymmetric structure. The continuous wavelet transformation reveals that these peak and dip structures originate from constructive and destructive interference between Rabi oscillations and coherent phonons, respectively. We demonstrate that the asymmetric spectral structures in relation to the frequency detuning are well reproduced by using a classical coupled oscillator model on the basis of dynamical Fano-like interference.

  1. Folded Optical Phonons in Twisted Bilayer Graphene: Raman Signature of Graphene Superlattices

    NASA Astrophysics Data System (ADS)

    Wang, Yanan; Su, Zhihua; Wu, Wei; Xing, Sirui; Lu, Xiaoxiang; Lu, Xinghua; Pei, Shin-Shem; Robles-Hernandez, Francisco; Hadjiev, Viktor; Bao, Jiming

    2013-03-01

    In contrast to Bernal-stacked graphene exfoliated from HOPG, twisted bilayer graphene are widely observed in the samples prepared by silicon sublimation of SiC or chemical vapor deposition (CVD). However, many of its basic properties still remain unrevealed. In this work, hexagon-shaped bilayer graphene islands synthesized by CVD method were systematically studied using Raman spectroscopy. A series of folded phonons were observed in the range from 1375 cm-1 to 1525 cm-1. The frequency of folded phonon modes doesn't shift with laser excitation energy, but it is highly dependent on the rotational angle between two layers. In general, the frequency of folded phonon decreases with the increase of rotation angle. This rotation dependence can be qualitatively explained by the folding of phonon dispersion curve of single layer graphene into the reduced Brillouin zone of bilayer superlattice. The obseravtion of folded phonon is an important indication of superlattice band structure.

  2. Preface: Phonons 2007

    NASA Astrophysics Data System (ADS)

    Perrin, Bernard

    2007-06-01

    Conference logo The conference PHONONS 2007 was held 15-20 July 2007 in the Conservatoire National des Arts et Métiers (CNAM) Paris, France. CNAM is a college of higher technology for training students in the application of science to industry, founded by Henri Grégoire in 1794. This was the 12th International Conference on Phonon Scattering in Condensed Matter. This international conference series, held every 3 years, started in France at Sainte-Maxime in 1972. It was then followed by meetings at Nottingham (1975), Providence (1979), Stuttgart (1983), Urbana-Champaign (1986), Heidelberg (1989), Ithaca (1992), Sapporo (1995), Lancaster (1998), Dartmouth (2001) and St Petersburg (2004). PHONONS 2007 was attended by 346 delegates from 37 different countries as follows: France 120, Japan 45, Germany 25, USA 25, Russia 21, Italy 13, Poland 9, UK 9, Canada 7, The Netherlands 7, Finland 6, Spain 6, Taiwan 6, Greece 4, India 4, Israel 4, Ukraine 4, Serbia 3, South Africa 3, Argentina 2, Belgium 2, China 2, Iran 2, Korea 2, Romania 2, Switzerland 2, and one each from Belarus, Bosnia-Herzegovina, Brazil, Bulgaria, Egypt, Estonia, Mexico, Moldova, Morocco, Saudi Arabia, Turkey. There were 5 plenary lectures, 14 invited talks and 84 oral contributions; 225 posters were presented during three poster sessions. The first plenary lecture was given by H J Maris who presented fascinating movies featuring the motion of a single electron in liquid helium. Robert Blick gave us a review on the new possibilities afforded by nanotechnology to design nano-electomechanical systems (NEMS) and the way to use them to study elementary and fundamental processes. The growing interest for phonon transport studies in nanostructured materials was demonstrated by Arun Majumdar. Andrey Akimov described how ultrafast acoustic solitons can monitor the optical properties of quantum wells. Finally, Maurice Chapellier told us how

  3. Thermal transport and anharmonic phonons in strained monolayer hexagonal boron nitride

    NASA Astrophysics Data System (ADS)

    Li, Shasha; Chen, Yue

    2017-03-01

    Thermal transport and phonon-phonon coupling in monolayer hexagonal boron nitride (h-BN) under equibiaxial strains are investigated from first principles. Phonon spectra at elevated temperatures have been calculated from perturbation theory using the third-order anharmonic force constants. The stiffening of the out-of-plane transverse acoustic mode (ZA) near the Brillouin zone center and the increase of acoustic phonon lifetimes are found to contribute to the dramatic increase of thermal transport in strained h-BN. The transverse optical mode (TO) at the K point, which was predicted to lead to mechanical failure of h-BN, is found to shift to lower frequencies at elevated temperatures under equibiaxial strains. The longitudinal and transverse acoustic modes exhibit broad phonon spectra under large strains in sharp contrast to the ZA mode, indicating strong in-plane phonon-phonon coupling.

  4. Phonon-mediated spin-flipping mechanism in the spin ices Dy 2 Ti 2 O 7 and Ho 2 Ti 2 O 7

    DOE PAGES

    Ruminy, M.; Chi, S.; Calder, S.; ...

    2017-02-21

    To understand emergent magnetic monopole dynamics in the spin ices Ho 2Ti 2O 7 and Dy 2Ti 2O 7, it is necessary to investigate the mechanisms by which spins flip in these materials. Presently there are thought to be two processes: quantum tunneling at low and intermediate temperatures and thermally activated at high temperatures. We identify possible couplings between crystal field and optical phonon excitations and construct a strictly constrained model of phonon-mediated spin flipping that quantitatively describes the high-temperature processes in both compounds, as measured by quasielastic neutron scattering. We support the model with direct experimental evidence of themore » coupling between crystal field states and optical phonons in Ho 2Ti 2O 7.« less

  5. Giant Phonon Anharmonicity and Anomalous Pressure Dependence of Lattice Thermal Conductivity in Y2Si2O7 silicate

    PubMed Central

    Luo, Yixiu; Wang, Jiemin; Li, Yiran; Wang, Jingyang

    2016-01-01

    Modification of lattice thermal conductivity (κL) of a solid by means of hydrostatic pressure (P) has been a crucially interesting approach that targets a broad range of advanced materials from thermoelectrics and thermal insulators to minerals in mantle. Although it is well documented knowledge that thermal conductivity of bulk materials normally increase upon hydrostatic pressure, such positive relationship is seriously challenged when it comes to ceramics with complex crystal structure and heterogeneous chemical bonds. In this paper, we predict an abnormally negative trend dκL/dP < 0 in Y2Si2O7 silicate using density functional theoretical calculations. The mechanism is disclosed as combined effects of slightly decreased group velocity and significantly augmented scattering of heat-carrying acoustic phonons in pressured lattice, which is originated from pressure-induced downward shift of low-lying optic and acoustic phonons. The structural origin of low-lying optic phonons as well as the induced phonon anharmonicity is also qualitatively elucidated with respect to intrinsic bonding heterogeneity of Y2Si2O7. The present results are expected to bring deeper insights for phonon engineering and modulation of thermal conductivity in complex solids with diverging structural flexibility, enormous bonding heterogeneity, and giant phonon anharmonicity. PMID:27430670

  6. Acoustic interference suppression of quartz crystal microbalance sensor arrays utilizing phononic crystals

    NASA Astrophysics Data System (ADS)

    Chen, Yung-Yu; Huang, Li-Chung; Wang, Wei-Shan; Lin, Yu-Ching; Wu, Tsung-Tsong; Sun, Jia-Hong; Esashi, Masayoshi

    2013-04-01

    Acoustic interference suppression of quartz crystal microbalance (QCM) sensor arrays utilizing phononic crystals is investigated in this paper. A square-lattice phononic crystal structure is designed to have a complete band gap covering the QCM's resonance frequency. The monolithic sensor array consisting of two QCMs separated by phononic crystals is fabricated by micromachining processes. As a result, 12 rows of phononic crystals with band gap boost insertion loss between the two QCMs by 20 dB and also reduce spurious modes. Accordingly, the phononic crystal is verified to be capable of suppressing the acoustic interference between adjacent QCMs in a sensor array.

  7. Hybrid density-functional calculations of phonons in LaCoO3

    NASA Astrophysics Data System (ADS)

    Gryaznov, Denis; Evarestov, Robert A.; Maier, Joachim

    2010-12-01

    Phonon frequencies at Γ point in nonmagnetic rhombohedral phase of LaCoO3 were calculated using density-functional theory with hybrid exchange correlation functional PBE0. The calculations involved a comparison of results for two types of basis functions commonly used in ab initio calculations, namely, the plane-wave approach and linear combination of atomic orbitals, as implemented in VASP and CRYSTAL computer codes, respectively. A good qualitative, but also within an error margin of less than 30%, a quantitative agreement was observed not only between the two formalisms but also between theoretical and experimental phonon frequency predictions. Moreover, the correlation between the phonon symmetries in cubic and rhombohedral phases is discussed in detail on the basis of group-theoretical analysis. It is concluded that the hybrid PBE0 functional is able to predict correctly the phonon properties in LaCoO3 .

  8. Ultra-high-Q phononic resonators on-chip at cryogenic temperatures

    NASA Astrophysics Data System (ADS)

    Kharel, Prashanta; Chu, Yiwen; Power, Michael; Renninger, William H.; Schoelkopf, Robert J.; Rakich, Peter T.

    2018-06-01

    Long-lived, high-frequency phonons are valuable for applications ranging from optomechanics to emerging quantum systems. For scientific as well as technological impact, we seek high-performance oscillators that offer a path toward chip-scale integration. Confocal bulk acoustic wave resonators have demonstrated an immense potential to support long-lived phonon modes in crystalline media at cryogenic temperatures. So far, these devices have been macroscopic with cm-scale dimensions. However, as we push these oscillators to high frequencies, we have an opportunity to radically reduce the footprint as a basis for classical and emerging quantum technologies. In this paper, we present novel design principles and simple microfabrication techniques to create high performance chip-scale confocal bulk acoustic wave resonators in a wide array of crystalline materials. We tailor the acoustic modes of such resonators to efficiently couple to light, permitting us to perform a non-invasive laser-based phonon spectroscopy. Using this technique, we demonstrate an acoustic Q-factor of 2.8 × 107 (6.5 × 106) for chip-scale resonators operating at 12.7 GHz (37.8 GHz) in crystalline z-cut quartz (x-cut silicon) at cryogenic temperatures.

  9. Exciton-phonon system on a star graph: A perturbative approach.

    PubMed

    Yalouz, Saad; Pouthier, Vincent

    2016-05-01

    Based on the operatorial formulation of the perturbation theory, the properties of an exciton coupled with optical phonons on a star graph are investigated. Within this method, the dynamics is governed by an effective Hamiltonian, which accounts for exciton-phonon entanglement. The exciton is dressed by a virtual phonon cloud whereas the phonons are clothed by virtual excitonic transitions. In spite of the coupling with the phonons, it is shown that the energy spectrum of the dressed exciton resembles that of a bare exciton. The only differences originate in a polaronic mechanism that favors an energy shift and a decay of the exciton hopping constant. By contrast, the motion of the exciton allows the phonons to propagate over the graph so that the dressed normal modes drastically differ from the localized modes associated to bare phonons. They define extended vibrations whose properties depend on the state occupied by the exciton that accompanies the phonons. It is shown that the phonon frequencies, either red shifted or blue shifted, are very sensitive to the model parameter in general, and to the size of the graph in particular.

  10. Electric control of magnon frequencies and magnetic moment of bismuth ferrite thin films at room temperature.

    PubMed

    Kumar, Ashok; Scott, J F; Katiyar, R S

    2011-08-08

    Here, we report the tuning of room-temperature magnon frequencies from 473 GHz to 402 GHz (14%) and magnetic moment from 4 to 18 emu∕cm(3) at 100 Oe under the application of external electric fields (E) across interdigital electrodes in BiFeO(3) (BFO) thin films. A decrease in magnon frequencies and increase in phonon frequencies were observed with Magnon and phonon Raman intensities are asymmetric with polarity, decreasing with positive E (+E) and increasing with negative E (-E) where polarity is with respect to in-plane polarization P. The magnetoelectric coupling (α) is proved to be linear and a rather isotropic α = 8.5 × 10(-12) sm(-1).

  11. Phonon Drag in Thin Films, Cases of Bi2Te3 and ZnTe

    NASA Astrophysics Data System (ADS)

    Chi, Hang; Uher, Ctirad

    2014-03-01

    At low temperatures, in (semi-)conductors subjected to a thermal gradient, charge carriers (electrons and holes) are swept (dragged) by out-of-equilibrium phonons due to strong electron-phonon interaction, giving rise to a large contribution to the Seebeck coefficient called the phonon-drag effect. Such phenomenon was surprisingly observed in our recent transport study of highly mismatched alloys as potential thermoelectric materials: a significant phonon-drag thermopower reaching 1.5-2.5 mV/K was recorded for the first time in nitrogen-doped ZnTe epitaxial layers on GaAs (100). In thin films of Bi2Te3, we demonstrate a spectacular influence of substrate phonons on charge carriers. We show that one can control and tune the position and magnitude of the phonon-drag peak over a wide range of temperatures by depositing thin films on substrates with vastly different Debye temperatures. Our experiments also provide a way to study the nature of the phonon spectrum in thin films, which is rarely probed but clearly important for a complete understanding of thin film properties and the interplay of the substrate and films. This work is supported by the Center for Solar and Thermal Energy Conversion, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0000957.

  12. Coexistent three-component and two-component Weyl phonons in TiS, ZrSe, and HfTe

    NASA Astrophysics Data System (ADS)

    Li, Jiangxu; Xie, Qing; Ullah, Sami; Li, Ronghan; Ma, Hui; Li, Dianzhong; Li, Yiyi; Chen, Xing-Qiu

    2018-02-01

    In analogy to various fermions of electrons in topological semimetals, topological mechanical states with two types of bosons, Dirac and Weyl bosons, were reported in some macroscopic systems of kHz frequency, and those with a type of doubly-Weyl phonons in atomic vibrational framework of THz frequency of solid crystals were recently predicted. Here, through first-principles calculations, we have reported that the phonon spectra of the WC-type TiS, ZrSe, and HfTe commonly host the unique triply degenerate nodal points (TDNPs) and single two-component Weyl points (WPs) in THz frequency. Quasiparticle excitations near TDNPs of phonons are three-component bosons, beyond the conventional and known classifications of Dirac, Weyl, and doubly-Weyl phonons. Moreover, we have found that both TiS and ZrSe have five pairs of type-I Weyl phonons and a pair of type-II Weyl phonons, whereas HfTe only has four pairs of type-I Weyl phonons. They carry nonzero topological charges. On the (10 1 ¯0 ) crystal surfaces, we observe topological protected surface arc states connecting two WPs with opposite charges, which host modes that propagate nearly in one direction on the surface.

  13. Quantum Noise of Electron-Phonon Heat Current

    NASA Astrophysics Data System (ADS)

    Pekola, Jukka P.; Karimi, Bayan

    2018-06-01

    We analyze heat current fluctuations between electrons and phonons in a metal. In equilibrium we recover the standard result consistent with the fluctuation-dissipation theorem. Here we show that heat current noise at finite frequencies remains non-vanishing down to zero temperature. From the experimental point of view, it is a small effect and up to now elusive. We briefly discuss the impact of electron-phonon heat current fluctuations on calorimetry, particularly in the regime of single microwave-photon detection.

  14. Spiral-Based Phononic Plates: From Wave Beaming to Topological Insulators

    NASA Astrophysics Data System (ADS)

    Foehr, André; Bilal, Osama R.; Huber, Sebastian D.; Daraio, Chiara

    2018-05-01

    Phononic crystals and metamaterials can sculpt elastic waves, controlling their dispersion using different mechanisms. These mechanisms are mostly Bragg scattering, local resonances, and inertial amplification, derived from ad hoc, often problem-specific geometries of the materials' building blocks. Here, we present a platform that ultilizes a lattice of spiraling unit cells to create phononic materials encompassing Bragg scattering, local resonances, and inertial amplification. We present two examples of phononic materials that can control waves with wavelengths much larger than the lattice's periodicity. (1) A wave beaming plate, which can beam waves at arbitrary angles, independent of the lattice vectors. We show that the beaming trajectory can be continuously tuned, by varying the driving frequency or the spirals' orientation. (2) A topological insulator plate, which derives its properties from a resonance-based Dirac cone below the Bragg limit of the structured lattice of spirals.

  15. High temperature phonon dispersion in graphene using classical molecular dynamics

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Anees, P., E-mail: anees@igcar.gov.in; Panigrahi, B. K.; Valsakumar, M. C., E-mail: anees@igcar.gov.in

    2014-04-24

    Phonon dispersion and phonon density of states of graphene are calculated using classical molecular dynamics simulations. In this method, the dynamical matrix is constructed based on linear response theory by computing the displacement of atoms during the simulations. The computed phonon dispersions show excellent agreement with experiments. The simulations are done in both NVT and NPT ensembles at 300 K and found that the LO/TO modes are getting hardened at the Γ point. The NPT ensemble simulations capture the anharmonicity of the crystal accurately and the hardening of LO/TO modes is more pronounced. We also found that at 300 Kmore » the C-C bond length reduces below the equilibrium value and the ZA bending mode frequency becomes imaginary close to Γ along K-Γ direction, which indicates instability of the flat 2D graphene sheets.« less

  16. Effects of counterion valency on the damping of phonons propagating along the axial direction of liquid-crystalline DNA

    NASA Astrophysics Data System (ADS)

    Liu, Yun; Chen, Sow-Hsin; Berti, Debora; Baglioni, Piero; Alatas, Ahmet; Sinn, Harald; Alp, Ercan; Said, Ayman

    2005-12-01

    The phonon propagation and damping along the axial direction of films of aligned 40wt% calf-thymus DNA rods are studied by inelastic x-ray scattering (IXS). The IXS spectra are analyzed with the generalized three effective eigenmode theory, from which we extract the dynamic structure factor S (Q,E) as a function of transferred energy E =ℏω, and the magnitude of the transferred wave vector Q. S (Q,E) of a DNA sample typically consists of three peaks, one central Rayleigh scattering peak, and two symmetric Stokes and anti-Stokes Brillouin side peaks. By analyzing the Brillouin peaks, the phonon excitation energy and damping can be extracted at different Q values from about 4 to 30nm-1. A high-frequency sound speed is obtained from the initial slope of the linear portion of the dispersion relation below Q =4nm-1. The high-frequency sound speed obtained in this Q range is 3100m /s, which is about twice faster than the ultrasound speed of 1800m/s, measured by Brillouin light scattering at Q ˜0.01nm-1 at the similar hydration level. Our observations provide further evidence of the strong coupling between the internal dynamics of a DNA molecule and the dynamics of the solvent. The effect on damping and propagation of phonons along the axial direction of DNA rods due to divalent and trivalent counterions has been studied. It is found that the added multivalent counterions introduce stronger phonon damping. The phonons at the range between ˜12.5 and ˜22.5nm-1 are overdamped by the added counterions according to our model analyses. The intermediate scattering function is extracted and it shows a clear two-step relaxation with the fast relaxation time ranging from 0.1 to 4ps.

  17. Temperature dependent dispersion and electron-phonon coupling surface states on Be(1010)

    NASA Astrophysics Data System (ADS)

    Tang, Shu-Jung; Ismail; Sprunger, Philip; Plummer, Ward

    2002-03-01

    Temperature dependent dispersion and electron-phonon coupling surface states on Be(10-10) S.-J Tang*, Ismail* , P.T . Sprunger#, E. W. Plummer* * Department of Physics and Astronomy, University of Tennessee, Knoxville, TN37996 , # Center for Advanced Microstructures and Devices (CAMD), Louisiana State University The surface states dispersing in a large band gap from -A to -Γ in Be(10-10) were studied with high-resolution, angle-resolved photoemission. Spectra reveal that the two zone-boundary surface states, S1 and S2, behave significantly different with respect to band dispersion, the temperature dependence of binding energies, and the electron-phonon coupling. The band dispersion of S1 is purely free-electron like with the maximum binding energy of 0.37+-0.05 eV at -A and effective mass m*/m =0835. However, the maximum binding energy 2.74+-0.05 eV of the S2 is located 0.2Åaway from -A and disperses into the bulk band edge at a binding energy of 1.75+-0.05 eV. Temperature dependent data reveal that the binding energies of S1 and S2 at -A shift in opposite directions at the rate of (-0.61+-0.3)+- 10E-4 eV/K and (1.71+-0.8)+-10E-4 eV/K, respectively. Moreover, from the temperature-dependent spectral widths of the surface states S1 and S2 at , the electron-phonon coupling parameters,λ, have been determined. Unusually different, the coupling strength λ for S1 and S2 are 0.67+-0.03 and 0.51+-0.04, respectively. The differences between the electron-phonon coupling, temperature dependent binding energies, and dispersions between these two zone-centered surface states will be discussed in light unique bonding at the surface and localization.

  18. Generalization of soft phonon modes

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Rudin, Sven P.

    Soft phonon modes describe a collective movement of atoms that transform a higher-symmetry crystal structure into a lower-symmetry crystal structure. Such structural transformations occur at finite temperatures, where the phonons (i.e., the low-temperature vibrational modes) and the static perfect crystal structures provide an incomplete picture of the dynamics. In this paper, principal vibrational modes (PVMs) are introduced as descriptors of the dynamics of a material system withmore » $N$ atoms. The PVMs represent the independent collective movements of the atoms at a given temperature. Molecular dynamics (MD) simulations, here in the form of quantum MD using density functional theory calculations, provide both the data describing the atomic motion and the data used to construct the PVMs. The leading mode, $${\\mathrm{PVM}}_{0}$$, represents the $3N$-dimensional direction in which the system moves with greatest amplitude. For structural phase transitions, $${\\mathrm{PVM}}_{0}$$ serves as a generalization of soft phonon modes. At low temperatures, $${\\mathrm{PVM}}_{0}$$ reproduces the soft phonon mode in systems where one phonon dominates the phase transformation. In general, multiple phonon modes combine to describe a transformation, in which case $${\\mathrm{PVM}}_{0}$$ culls these phonon modes. Moreover, while soft phonon modes arise in the higher-symmetry crystal structure, $${\\mathrm{PVM}}_{0}$$ can be equally well calculated on either side of the structural phase transition. Finally, two applications demonstrate these properties: first, transitions into and out of bcc titanium, and, second, the two crystal structures proposed for the $${\\beta}$$ phase of uranium, the higher-symmetry structure of which stabilizes with temperature.« less

  19. Generalization of soft phonon modes

    DOE PAGES

    Rudin, Sven P.

    2018-04-27

    Soft phonon modes describe a collective movement of atoms that transform a higher-symmetry crystal structure into a lower-symmetry crystal structure. Such structural transformations occur at finite temperatures, where the phonons (i.e., the low-temperature vibrational modes) and the static perfect crystal structures provide an incomplete picture of the dynamics. In this paper, principal vibrational modes (PVMs) are introduced as descriptors of the dynamics of a material system withmore » $N$ atoms. The PVMs represent the independent collective movements of the atoms at a given temperature. Molecular dynamics (MD) simulations, here in the form of quantum MD using density functional theory calculations, provide both the data describing the atomic motion and the data used to construct the PVMs. The leading mode, $${\\mathrm{PVM}}_{0}$$, represents the $3N$-dimensional direction in which the system moves with greatest amplitude. For structural phase transitions, $${\\mathrm{PVM}}_{0}$$ serves as a generalization of soft phonon modes. At low temperatures, $${\\mathrm{PVM}}_{0}$$ reproduces the soft phonon mode in systems where one phonon dominates the phase transformation. In general, multiple phonon modes combine to describe a transformation, in which case $${\\mathrm{PVM}}_{0}$$ culls these phonon modes. Moreover, while soft phonon modes arise in the higher-symmetry crystal structure, $${\\mathrm{PVM}}_{0}$$ can be equally well calculated on either side of the structural phase transition. Finally, two applications demonstrate these properties: first, transitions into and out of bcc titanium, and, second, the two crystal structures proposed for the $${\\beta}$$ phase of uranium, the higher-symmetry structure of which stabilizes with temperature.« less

  20. Generalization of soft phonon modes

    NASA Astrophysics Data System (ADS)

    Rudin, Sven P.

    2018-04-01

    Soft phonon modes describe a collective movement of atoms that transform a higher-symmetry crystal structure into a lower-symmetry crystal structure. Such structural transformations occur at finite temperatures, where the phonons (i.e., the low-temperature vibrational modes) and the static perfect crystal structures provide an incomplete picture of the dynamics. Here, principal vibrational modes (PVMs) are introduced as descriptors of the dynamics of a material system with N atoms. The PVMs represent the independent collective movements of the atoms at a given temperature. Molecular dynamics (MD) simulations, here in the form of quantum MD using density functional theory calculations, provide both the data describing the atomic motion and the data used to construct the PVMs. The leading mode, PVM0, represents the 3 N -dimensional direction in which the system moves with greatest amplitude. For structural phase transitions, PVM0 serves as a generalization of soft phonon modes. At low temperatures, PVM0 reproduces the soft phonon mode in systems where one phonon dominates the phase transformation. In general, multiple phonon modes combine to describe a transformation, in which case PVM0 culls these phonon modes. Moreover, while soft phonon modes arise in the higher-symmetry crystal structure, PVM0 can be equally well calculated on either side of the structural phase transition. Two applications demonstrate these properties: first, transitions into and out of bcc titanium, and, second, the two crystal structures proposed for the β phase of uranium, the higher-symmetry structure of which stabilizes with temperature.

  1. Observation of antiphase coherent phonons in the warped Dirac cone of Bi2Te3

    NASA Astrophysics Data System (ADS)

    Golias, E.; Sánchez-Barriga, J.

    2016-10-01

    In this Rapid Communication we investigate the coupling between excited electrons and phonons in the highly anisotropic electronic structure of the prototypical topological insulator Bi2Te3 . Using time- and angle-resolved photoemission spectroscopy we are able to identify the emergence and ultrafast temporal evolution of the longitudinal-optical A1 g coherent-phonon mode in Bi2Te3 . We observe an antiphase behavior in the onset of the coherent-phonon oscillations between the Γ K ¯ and the Γ M ¯ high-symmetry directions that is consistent with warping. The qualitative agreement between our density-functional theory calculations and the experimental results reveals the critical role of the anisotropic coupling between Dirac fermions and phonon modes in the topological insulator Bi2Te3 .

  2. Phonon spectrum of single-crystalline FeSe probed by high-resolution electron energy-loss spectroscopy

    NASA Astrophysics Data System (ADS)

    Zakeri, Khalil; Engelhardt, Tobias; Le Tacon, Matthieu; Wolf, Thomas

    2018-06-01

    Utilizing high-resolution electron energy-loss spectroscopy (HREELS) we measure the phonon frequencies of β-FeSe(001), cleaved under ultra-high vacuum conditions. At the zone center (Γ bar-point) three prominent loss features are observed at loss energies of about ≃ 20.5 and 25.6 and 40 meV. Based on the scattering selection rules we assign the observed loss features to the A1g, B1g, and A2u phonon modes of β-FeSe(001). The experimentally measured phonon frequencies do not agree with the results of density functional based calculations in which a nonmagnetic, a checkerboard or a strip antiferromagnetic order is assumed for β-FeSe(001). Our measurements suggest that, similar to the other Fe-based materials, magnetism has a profound impact on the lattice dynamics of β-FeSe(001).

  3. Control of coherent information via on-chip photonic-phononic emitter-receivers.

    PubMed

    Shin, Heedeuk; Cox, Jonathan A; Jarecki, Robert; Starbuck, Andrew; Wang, Zheng; Rakich, Peter T

    2015-03-05

    Rapid progress in integrated photonics has fostered numerous chip-scale sensing, computing and signal processing technologies. However, many crucial filtering and signal delay operations are difficult to perform with all-optical devices. Unlike photons propagating at luminal speeds, GHz-acoustic phonons moving at slower velocities allow information to be stored, filtered and delayed over comparatively smaller length-scales with remarkable fidelity. Hence, controllable and efficient coupling between coherent photons and phonons enables new signal processing technologies that greatly enhance the performance and potential impact of integrated photonics. Here we demonstrate a mechanism for coherent information processing based on travelling-wave photon-phonon transduction, which achieves a phonon emit-and-receive process between distinct nanophotonic waveguides. Using this device, physics--which supports GHz frequencies--we create wavelength-insensitive radiofrequency photonic filters with frequency selectivity, narrow-linewidth and high power-handling in silicon. More generally, this emit-receive concept is the impetus for enabling new signal processing schemes.

  4. Dispersion of doppleron-phonon modes in strong coupling regime.

    PubMed

    Gudkov, V V; Zhevstovskikh, I V

    2004-04-01

    The dispersion equation for doppleron-phonon modes was constructed and solved analytically in the strong coupling regime. The Fermi surface model proposed previously for calculating the doppleron spectrum in an indium crystal was used. It was shown that in the vicinity of doppleron-phonon resonance, the dispersion curves of coupled modes form a gap qualitatively different from the one observed under helicon-phonon resonance: there is a frequency interval forbidden for existence of waves of definite circular polarization depending upon direction of the external DC magnetic field. The physical reason for it is interaction of the waves which have oppositely directed group velocities.

  5. Development of a Massive, Highly Multiplexible, Phonon-Mediated Particle Detector Using Kinetic Inductance Detectors

    NASA Astrophysics Data System (ADS)

    Chang, Y.-Y.; Cornell, B.; Aralis, T.; Bumble, B.; Golwala, S. R.

    2018-04-01

    We present a status update on the development of a phonon-mediated particle detector using kinetic inductance detector (KID). The design is intended for O(1) kg substrate, using O(102) KIDs on a single readout line, to image the athermal phonon distribution at < 1 mm position resolution and O(10) eV energy resolution. The design specification is set by the need to improve position reconstruction fidelity while maintaining low energy threshold for future rare-event searches such as for low-mass dark matter. We report on the design, which shows negligible crosstalk and > 95% inductor current uniformity, using the coplanar waveguide feedline, ground shield, and a new class of KIDs with symmetric coplanar stripline (sCPS) inductor. The multiplexing is designed upon the frequency-geometry relation we develop for the sCPS KIDs. We introduce the fabrications of the Nb RF assessment prototypes and the high phonon collection efficiency Al-Nb devices. We achieve ≲ 0.07% frequency displacement on a 80-KID RF assessment prototype, and the result indicates that we may place more than 180 resonances in our 0.4 GHz readout band with minimal frequency misordering. The coupling quality factors are ˜ 105 as designed. Finally, we update our work in progress in fabricating the O(102) KID, bi-material, O(1) kg detectors, and the expected position and energy resolutions.

  6. Four-Wave-Mixing Oscillations in a simplified Boltzmannian semiconductor model with LO-phonons

    NASA Astrophysics Data System (ADS)

    Tamborenea, P. I.; Bányai, L.; Haug, H.

    1996-03-01

    The recently discovered(L. Bányai, D. B. Tran Thoai, E. Reitsamer, H. Haug, D. Steinbach, M. U. Wehner, M. Wegener, T. Marschner and W. Stolz, Phys. Rev. Lett. 75), 2188 (1995). oscillations of the integrated four-wave-mixing signal in semiconductors due to electron-LO-phonon scattering are studied within a simplified Boltzmann-type model. Although several aspects of the experimental results require a description within the framework of non-Markovian quantum-kinetic theory, our simplified Boltzmannian model is well suited to analyze the origin of the observed novel oscillations of frequency (1+m_e/m_h) hbarω_LO. To this end, we developed a third-order, analytic solution of the semiconductor Bloch equations (SBE) with Boltzmann-type, LO-phonon collision terms. Results of this theory along with numerical solutions of the SBE will be presented.

  7. Self Consistent Ambipolar Transport and High Frequency Oscillatory Transient in Graphene Electronics

    DTIC Science & Technology

    2015-08-17

    study showed that in the presence of an ac field, THz oscillations exhibit soft resonances at a frequency roughly equal to half of the inverse of the ...exhibit soft resonances at a frequency roughly equal to half of the inverse of the carrier transit time to the LO phonon energy. It also showed that in...carriers in graphene undergo an anomalous parametric resonance. Such resonance occurs at about half the frequency ωF = 2πeF/~ωOP , where 2π/ωF is the time

  8. Electron-phonon coupling in superconducting β-PdBi{sub 2}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sharma, Ramesh; Dwivedi, Shalini; Sharma, Yamini, E-mail: sharma.yamini62@gmail.com

    2015-06-24

    We have studied the electronic, transport and vibrational properties of low temperature superconductor β-PdBi{sub 2}. The band manifold clearly demonstrates the 2D-layered structure with multiple gaps. The intersection of bands at E{sub F} in the Γ-P, Γ-N directions gives rise to complicated Fermi surface topology, which contains quite complicated multiple connected sheets, as well as hole and electron-like pockets. From the low temperature specific heat, we have estimated the electron-phonon coupling constant λ{sub el-ph} which has a very high value of 3.66. The vibrational properties clearly illustrates that the strong coupling makes the lattice unstable. The calculated properties confirm thatmore » β-PdBi{sub 2} is an intermediate coupling superconductor.« less

  9. Phonon dispersion evolution in uniaxially strained aluminum crystal

    NASA Astrophysics Data System (ADS)

    Parthasarathy, Ranganathan; Misra, Anil; Aryal, Sitaram; Ouyang, Lizhi

    2018-04-01

    The influence of loading upon the phonon dispersion of crystalline materials could be highly nonlinear with certain particular trends that depend upon the loading path. In this paper, we have calculated the influence of [100] uniaxial strain on the phonon dispersion and group velocities in fcc aluminum using second moments of position obtained from molecular dynamics (MD) simulation at 300 K. In contrast to nonlinear monotonic variation of both longitudinal and transverse phonon frequencies along the Δ , Λ and Σ lines of the first Brillouin zone under tension, transverse phonon branches along the Λ line show inflection at specific wavevectors when the compressive strain exceeds 5%. Further, the longitudinal group velocities along the high-symmetry Δ line vary non-monotonically with strain, reaching a minimum at 5% compressive strain. Throughout the strain range studied, the equilibrium positions of atoms displace in an affine manner preserving certain static structural symmetry. We attribute the anomalies in the phonon dispersion to the non-affine evolution of second moments of atomic position, and the associated plateauing of force constants under the applied strain path.

  10. Phonon properties and slow organic-to-inorganic sub-lattice thermalization in hybrid perovskites

    NASA Astrophysics Data System (ADS)

    Chan, Maria; Chang, Angela; Xia, Yi; Sadasivam, Sridhar; Guo, Peijun; Kinaci, Alper; Lin, Hao-Wu; Darancet, Pierre; Schaller, Richard

    Organic-inorganic hybrid perovskite halide compounds have been investigated extensively for photovoltaics (PVs) and related applications. The thermal transport properties of hybrid perovskites, including phonon-carrier and phonon-phonon interactions, are of significance for their PV and solar thermoelectric applications. The interlocking organic and inorganic sublattices can be thought of as an extreme form of nanostructuring. A result of this nanostructuring is the large gap in phonon frequencies between the organic and inorganic sublattices, which is expected to create bottlenecks in phonon equilibration. In this work, we use a combination of ultrafast spectroscopy including photoluminescence and transient absorption, as well as first principles density functional theory (DFT), ab initio molecular dynamics calculations, phonon lifetimes derived from DFT force constants, and non-equilibrium phonon dynamics accounting for phonon lifetimes, to determine the phonon and charge interaction processes. We find evidence that thermalization of carriers occur at an atypically slow 50-100 ps time scale owing to the complex interplay between electronic and phonon excitations.

  11. Wideband spectrum analysis of ultra-high frequency radio-wave signals due to advanced one-phonon non-collinear anomalous light scattering.

    PubMed

    Shcherbakov, Alexandre S; Arellanes, Adan Omar

    2017-04-20

    We present a principally new acousto-optical cell providing an advanced wideband spectrum analysis of ultra-high frequency radio-wave signals. For the first time, we apply a recently developed approach with the tilt angle to a one-phonon non-collinear anomalous light scattering. In contrast to earlier cases, now one can exploit a regime with the fixed optical wavelength for processing a great number of acoustic frequencies simultaneously in the linear regime. The chosen rutile-crystal combines a moderate acoustic velocity with low acoustic attenuation and allows us wide-band data processing within GHz-frequency acoustic waves. We have created and experimentally tested a 6-cm aperture rutile-made acousto-optical cell providing the central frequency 2.0 GHz, frequency bandwidth ∼0.52  GHz with the frequency resolution about 68.3 kHz, and ∼7620 resolvable spots. A similar cell permits designing an advanced ultra-high-frequency arm within a recently developed multi-band radio-wave acousto-optical spectrometer for astrophysical studies. This spectrometer is intended to operate with a few parallel optical arms for processing the multi-frequency data flows within astrophysical observations. Keeping all the instrument's advantages of the previous schematic arrangement, now one can create the highest-frequency arm using the developed rutile-based acousto-optical cell. It permits optimizing the performances inherent in that arm via regulation of both the central frequency and the frequency bandwidth for spectrum analysis.

  12. Electric control of magnon frequencies and magnetic moment of bismuth ferrite thin films at room temperature

    PubMed Central

    Kumar, Ashok; Scott, J. F.; Katiyar, R. S.

    2011-01-01

    Here, we report the tuning of room-temperature magnon frequencies from 473 GHz to 402 GHz (14%) and magnetic moment from 4 to 18 emu∕cm3 at 100 Oe under the application of external electric fields (E) across interdigital electrodes in BiFeO3 (BFO) thin films. A decrease in magnon frequencies and increase in phonon frequencies were observed with Magnon and phonon Raman intensities are asymmetric with polarity, decreasing with positive E (+E) and increasing with negative E (−E) where polarity is with respect to in-plane polarization P. The magnetoelectric coupling (α) is proved to be linear and a rather isotropic α = 8.5 × 10−12 sm−1. PMID:21901050

  13. Single-Frequency Narrow Linewidth 2 Micron Fiber Laser

    NASA Technical Reports Server (NTRS)

    Jiang, Shibin (Inventor); Spiegelberg, Christine (Inventor); Luo, Tao (Inventor)

    2006-01-01

    A compact single frequency, single-mode 2 .mu.m fiber laser with narrow linewidth, <100 kHz and preferably <100 kHz, is formed with a low phonon energy glass doped with triply ionized rare-earth thulium and/or holmium oxide and fiber gratings formed in sections of passive silica fiber and fused thereto. Formation of the gratings in passive silica fiber both facilitates splicing to other optical components and reduces noise thus improving linewidth. An increased doping concentration of 0.5 to 15 wt. % for thulium, holmium or mixtures thereof produces adequate gain, hence output power levels for fiber lengths less than 5 cm and preferably less than 3 cm to enable single-frequency operation.

  14. Phonovoltaic. III. Electron-phonon coupling and figure of merit of graphene:BN

    NASA Astrophysics Data System (ADS)

    Melnick, Corey; Kaviany, Massoud

    2016-12-01

    The phonovoltaic cell harvests optical phonons like a photovoltaic harvests photons, that is, a nonequilibrium (hot) population of optical phonons (at temperature Tp ,O) more energetic than the band gap produces electron-hole pairs in a p -n junction, which separates these pairs to produce power. A phonovoltaic material requires an optical phonon mode more energetic than its band gap and much more energetic than the thermal energy (Ep ,O>Δ Ee ,g≫kBT ), which relaxes by generating electrons and power (at rate γ˙e -p) rather than acoustic phonons and heat (at rate γ˙p -p). Graphene (h-C) is the most promising material candidate: when its band gap is tuned to its optical phonon energy without greatly reducing the electron-phonon (e -p ) coupling, it reaches a substantial figure of merit [ZpV=Δ Ee ,gγ˙e -p/Ep ,O(γ˙e -p+γ˙p -p) ≈0.8 ] . A simple tight-binding (TB) model presented here predicts that lifting the sublattice symmetry of graphene in order to open a band gap proscribes the e -p interaction at the band edge, such that γ˙e -p→0 as Δ Ee ,g→Ep ,O . However, ab initio (DFT-LDA) simulations of layered h-C/BN and substitutional h-C:BN show that the e -p coupling remains substantial in these asymmetric crystals. Indeed, h-C:BN achieves a high figure of merit (ZpV≈0.6 ). At 300 K and for a Carnot limit of 0.5 (Tp ,O=600 K) , a h-C:BN phonovoltaic can reach an efficiency of ηpV≈0.2 , double the thermoelectric efficiency (Z T ≈1 ) under similar conditions.

  15. Enhancement of coherent acoustic phonons in InGaN multiple quantum wells

    NASA Astrophysics Data System (ADS)

    Hafiz, Shopan D.; Zhang, Fan; Monavarian, Morteza; Avrutin, Vitaliy; Morkoç, Hadis; Özgür, Ümit

    2015-03-01

    Enhancement of coherent zone folded longitudinal acoustic phonon (ZFLAP) oscillations at terahertz frequencies was demonstrated in InGaN multiple quantum wells (MQWs) by using wavelength degenerate time resolved differential transmission spectroscopy. Screening of the piezoelectric field in InGaN MQWs by photogenerated carriers upon femtosecond pulse excitation gave rise to terahertz ZFLAPs, which were monitored at the Brillouin zone center in the transmission geometry. MQWs composed of 10 pairs InxGa1-xN wells and In0.03Ga0.97N barriers provided coherent phonon frequencies of 0.69-0.80 THz depending on the period of MQWs. Dependences of ZFLAP amplitude on excitation density and wavelength were also investigated. Possibility of achieving phonon cavity, incorporating a MQW placed between two AlN/GaN phonon mirrors designed to exhibit large acoustic gaps at the zone center, was also explored.

  16. Modification of the G-phonon mode of graphene by nitrogen doping

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lukashev, Pavel V., E-mail: pavel.lukashev@uni.edu; Hurley, Noah; Zhao, Liuyan

    2016-01-25

    The effect of nitrogen doping on the phonon spectra of graphene is analyzed. In particular, we employ first-principles calculations and scanning Raman analysis to investigate the dependence of phonon frequencies in graphene on the concentration of nitrogen dopants. We demonstrate that the G phonon frequency shows oscillatory behavior as a function of nitrogen concentration. We analyze different mechanisms which could potentially be responsible for this behavior, such as Friedel charge oscillations around the localized nitrogen impurity atom, the bond length change between nitrogen impurity and its nearest neighbor carbon atoms, and the long-range interactions of the nitrogen point defects. Wemore » show that the bond length change and the long range interaction of point defects are possible mechanisms responsible for the oscillatory behavior of the G frequency as a function of nitrogen concentration. At the same time, Friedel charge oscillations are unlikely to contribute to this behavior.« less

  17. Time-varying phononic crystals

    NASA Astrophysics Data System (ADS)

    Wright, Derek Warren

    The primary objective of this thesis was to gain a deeper understanding of acoustic wave propagation in phononic crystals, particularly those that include materials whose properties can be varied periodically in time. This research was accomplished in three ways. First, a 2D phononic crystal was designed, created, and characterized. Its properties closely matched those determined through simulation. The crystal demonstrated band gaps, dispersion, and negative refraction. It served as a means of elucidating the practicalities of phononic crystal design and construction and as a physical verification of their more interesting properties. Next, the transmission matrix method for analyzing 1D phononic crystals was extended to include the effects of time-varying material parameters. The method was then used to provide a closed-form solution for the case of periodically time-varying material parameters. Some intriguing results from the use of the extended method include dramatically altered transmission properties and parametric amplification. New insights can be gained from the governing equations and have helped to identify the conditions that lead to parametric amplification in these structures. Finally, 2D multiple scattering theory was modified to analyze scatterers with time-varying material parameters. It is shown to be highly compatible with existing multiple scattering theories. It allows the total scattered field from a 2D time-varying phononic crystal to be determined. It was shown that time-varying material parameters significantly affect the phononic crystal transmission spectrum, and this was used to switch an incident monochromatic wave. Parametric amplification can occur under certain circumstances, and this effect was investigated using the closed-form solutions provided by the new 1D method. The complexity of the extended methods grows logarithmically as opposed linearly with existing methods, resulting in superior computational complexity for large

  18. Time Resolved X-Ray Diffraction Study of Acoustoelectrically Amplified Phonons.

    NASA Astrophysics Data System (ADS)

    Chapman, Leroy Dean

    X-rays diffracted by nearly perfect crystals of n-type InSb have been investigated in the presence of intense acoustoelectrically (A.E.) amplified phonons. The fact that these phonons are nearly monochromatic and have a well defined propagation and polarization direction presents an excellent opportunity to investigate the nature of x -ray photon-phonon scattering in a diffracting crystal. The Debye-Waller factor which accounts for the attenuation of diffracted x-ray intensities due to thermal phonons is reflection dependent owing to its sin (theta)/(lamda) dependence. We have performed experiments comparing the (004) and (008) anomalously transmitted intensities as a function of A.E. amplified flux. The attenuation of both reflections due to the amplified phonons was the same in direct contradiction to an expected sin (theta)/(lamda) dependence. Some possible reasons for this failure are discussed. In a Bragg reflection scattering geometry, the intense monochromatic amplified phonons give rise to satellite peaks symmetrically located about the central elastic Brag peak in a rocking profile. We report in this thesis on the first observation of satellites in a thin crystal Laue transmission geometry. We have theoretically simulated the rocking profiles with some success. The A.E. amplification process in InSb is strongly favored for {110} propagation fast transverse (FT) phonons. In earlier experiments it was found that non-{110} FT phonons were also produced during the amplification process. We have developed a time resolved x-ray counting system which, in conjunction with a spatially resolved x-ray beam and a localized, traveling A.E. phonon distribution, allow the time evolution of the amplified distribution to be followed. We report on time resolved measurements for both the symmetric Bragg and Laue geometries from which we can determine when and where non-{110 } FT flux is generated and restrict the possible mechanisms for its generation.

  19. Electronic structure and electron-phonon interaction in hexagonal yttrium by density functional calculations

    NASA Astrophysics Data System (ADS)

    Singh, Prabhakar P.

    2007-03-01

    To understand the pressure-induced changes in the electronic structure and the electron-phonon interaction in yttrium, we have studied hexagonal-close-packed (hcp) yttrium, stable at ambient pressure, and double hexagonal-close-packed (dhcp) yttrium, stable up to around 44GPa , using density-functional-based methods. Our results show that as one goes from hcp yttrium to dhcp yttrium, there are (i) a substantial charge transfer from s→d with extensive modifications of the d band and a sizable reduction in the density of states at the Fermi energy, (ii) a substantial stiffening of phonon modes with the electron-phonon coupling covering the entire frequency range, and (iii) an increase in the electron-phonon coupling constant λ from 0.55 to 1.24, leading to a change in the superconducting transition temperature Tc from 0.3to15.3K for μ*=0.2 .

  20. The Lamb wave bandgap variation of a locally resonant phononic crystal subjected to thermal deformation

    NASA Astrophysics Data System (ADS)

    Zhu, Yun; Li, Zhen; Li, Yue-ming

    2018-05-01

    A study on dynamical characteristics of a ternary locally resonant phononic crystal (PC) plate (i.e., hard scatterer with soft coating periodically disperse in stiff host matrix) is carried out in this paper. The effect of thermal deformation on the structure stiffness, which plays an important role in the PC's dynamical characteristics, is considered. Results show that both the start and the stop frequency of bandgap shift to higher range with the thermal deformation. In particular, the characteristics of band structure change suddenly at critical buckling temperature. The effect of thermal deformation could be utilized for tuning of phononic band structures, which can promote their design and further applications.

  1. Detecting the phonon spin in magnon-phonon conversion experiments

    NASA Astrophysics Data System (ADS)

    Holanda, J.; Maior, D. S.; Azevedo, A.; Rezende, S. M.

    2018-05-01

    Recent advances in the emerging field of magnon spintronics have stimulated renewed interest in phenomena involving the interaction between spin waves, the collective excitations of spins in magnetic materials that quantize as magnons, and the elastic waves that arise from excitations in the crystal lattice, which quantize as phonons. In magnetic insulators, owing to the magnetostrictive properties of materials, spin waves can become strongly coupled to elastic waves, forming magnetoelastic waves—a hybridized magnon-phonon excitation. While several aspects of this interaction have been subject to recent scrutiny, it remains unclear whether or not phonons can carry spin. Here we report experiments on a film of the ferrimagnetic insulator yttrium iron garnet under a non-uniform magnetic field demonstrating the conversion of coherent magnons generated by a microwave field into phonons that have spin. While it is well established that photons in circularly polarized light carry a spin, the spin of phonons has had little attention in the literature. By means of wavevector-resolved Brillouin light-scattering measurements, we show that the magnon-phonon conversion occurs with constant energy and varying linear momentum, and that the light scattered by the phonons is circularly polarized, thus demonstrating that the phonons have spin.

  2. Ab initio study of the electron-phonon coupling at the Cr(001) surface

    NASA Astrophysics Data System (ADS)

    Peters, L.; Rudenko, A. N.; Katsnelson, M. I.

    2018-04-01

    It is experimentally well established that the Cr(001) surface exhibits a sharp resonance around the Fermi level. However, there is no consensus about its physical origin. It is proposed to be either due to a single particle dz2 surface state renormalized by electron-phonon coupling or the orbital Kondo effect involving the degenerate dx z/ dy z states. In this paper we examine the electron-phonon coupling of the Cr(001) surface by means of ab-initio calculations in the form of density functional perturbation theory. More precisely, the electron-phonon mass-enhancement factor of the surface layer is investigated for the 3d states. For the majority and minority spin dz2 surface states we find values of 0.19 and 0.16. We show that these calculated electron-phonon mass-enhancement factors are not in agreement with the experimental data even if we use realistic values for the temperature range and surface Debye frequency for the fit of the experimental data. More precisely, then experimentally an electron-phonon mass-enhancement factor of 0.70 ±0.10 is obtained, which is not in agreement with our calculated values of 0.19 and 0.16. Our findings suggest that the experimentally observed resonance at the Cr(001) surface is not due to electron-phonon effects but due to electron-electron correlation effects.

  3. Electrical modulation and switching of transverse acoustic phonons

    NASA Astrophysics Data System (ADS)

    Jeong, H.; Jho, Y. D.; Rhim, S. H.; Yee, K. J.; Yoon, S. Y.; Shim, J. P.; Lee, D. S.; Ju, J. W.; Baek, J. H.; Stanton, C. J.

    2016-07-01

    We report on the electrical manipulation of coherent acoustic phonon waves in GaN-based nanoscale piezoelectric heterostructures which are strained both from the pseudomorphic growth at the interfaces as well as through external electric fields. In such structures, transverse symmetry within the c plane hinders both the generation and detection of the transverse acoustic (TA) modes, and usually only longitudinal acoustic phonons are generated by ultrafast displacive screening of potential gradients. We show that even for c -GaN, the combined application of lateral and vertical electric fields can not only switch on the normally forbidden TA mode, but they can also modulate the amplitudes and frequencies of both modes. By comparing the transient differential reflectivity spectra in structures with and without an asymmetric potential distribution, the role of the electrical controllability of phonons was demonstrated as changes to the propagation velocities, the optical birefringence, the electrically polarized TA waves, and the geometrically varying optical sensitivities of phonons.

  4. Spin Qubits in Germanium Structures with Phononic Gap

    NASA Technical Reports Server (NTRS)

    Smelyanskiy, V. N.; Vasko, F. T.; Hafiychuk, V. V.; Dykman, M. I.; Petukhov, A. G.

    2014-01-01

    We propose qubits based on shallow donor electron spins in germanium structures with phononic gap. We consider a phononic crystal formed by periodic holes in Ge plate or a rigid cover / Ge layer / rigid substrate structure with gaps approximately a few GHz. The spin relaxation is suppressed dramatically, if the Zeeman frequency omegaZ is in the phononic gap, but an effective coupling between the spins of remote donors via exchange of virtual phonons remains essential. If omegaZ approaches to a gap edge in these structures, a long-range (limited by detuning of omegaZ) resonant exchange interaction takes place. We estimate that ratio of the exchange integral to the longitudinal relaxation rate exceeds 10(exp 5) and lateral scale of resonant exchange 0.1 mm. The exchange contribution can be verified under microwave pumping through oscillations of spin echo signal or through the differential absorption measurements. Efficient manipulation of spins due to the Rabi oscillations opens a new way for quantum information applications.

  5. Solid-state electron spin lifetime limited by phononic vacuum modes.

    PubMed

    Astner, T; Gugler, J; Angerer, A; Wald, S; Putz, S; Mauser, N J; Trupke, M; Sumiya, H; Onoda, S; Isoya, J; Schmiedmayer, J; Mohn, P; Majer, J

    2018-04-01

    Longitudinal relaxation is the process by which an excited spin ensemble decays into its thermal equilibrium with the environment. In solid-state spin systems, relaxation into the phonon bath usually dominates over the coupling to the electromagnetic vacuum 1-9 . In the quantum limit, the spin lifetime is determined by phononic vacuum fluctuations 10 . However, this limit was not observed in previous studies due to thermal phonon contributions 11-13 or phonon-bottleneck processes 10, 14,15 . Here we use a dispersive detection scheme 16,17 based on cavity quantum electrodynamics 18-21 to observe this quantum limit of spin relaxation of the negatively charged nitrogen vacancy (NV - ) centre 22 in diamond. Diamond possesses high thermal conductivity even at low temperatures 23 , which eliminates phonon-bottleneck processes. We observe exceptionally long longitudinal relaxation times T 1 of up to 8 h. To understand the fundamental mechanism of spin-phonon coupling in this system we develop a theoretical model and calculate the relaxation time ab initio. The calculations confirm that the low phononic density of states at the NV - transition frequency enables the spin polarization to survive over macroscopic timescales.

  6. Designing broad phononic band gaps for in-plane modes

    NASA Astrophysics Data System (ADS)

    Li, Yang Fan; Meng, Fei; Li, Shuo; Jia, Baohua; Zhou, Shiwei; Huang, Xiaodong

    2018-03-01

    Phononic crystals are known as artificial materials that can manipulate the propagation of elastic waves, and one essential feature of phononic crystals is the existence of forbidden frequency range of traveling waves called band gaps. In this paper, we have proposed an easy way to design phononic crystals with large in-plane band gaps. We demonstrated that the gap between two arbitrarily appointed bands of in-plane mode can be formed by employing a certain number of solid or hollow circular rods embedded in a matrix material. Topology optimization has been applied to find the best material distributions within the primitive unit cell with maximal band gap width. Our results reveal that the centroids of optimized rods coincide with the point positions generated by Lloyd's algorithm, which deepens our understandings on the formation mechanism of phononic in-plane band gaps.

  7. Broadband sound blocking in phononic crystals with rotationally symmetric inclusions.

    PubMed

    Lee, Joong Seok; Yoo, Sungmin; Ahn, Young Kwan; Kim, Yoon Young

    2015-09-01

    This paper investigates the feasibility of broadband sound blocking with rotationally symmetric extensible inclusions introduced in phononic crystals. By varying the size of four equally shaped inclusions gradually, the phononic crystal experiences remarkable changes in its band-stop properties, such as shifting/widening of multiple Bragg bandgaps and evolution to resonance gaps. Necessary extensions of the inclusions to block sound effectively can be determined for given incident frequencies by evaluating power transmission characteristics. By arraying finite dissimilar unit cells, the resulting phononic crystal exhibits broadband sound blocking from combinational effects of multiple Bragg scattering and local resonances even with small-numbered cells.

  8. Extraction-controlled terahertz frequency quantum cascade lasers with a diagonal LO-phonon extraction and injection stage.

    PubMed

    Han, Y J; Li, L H; Grier, A; Chen, L; Valavanis, A; Zhu, J; Freeman, J R; Isac, N; Colombelli, R; Dean, P; Davies, A G; Linfield, E H

    2016-12-12

    We report an extraction-controlled terahertz (THz)-frequency quantum cascade laser design in which a diagonal LO-phonon scattering process is used to achieve efficient current injection into the upper laser level of each period and simultaneously extract electrons from the adjacent period. The effects of the diagonality of the radiative transition are investigated, and a design with a scaled oscillator strength of 0.45 is shown experimentally to provide the highest temperature performance. A 3.3 THz device processed into a double-metal waveguide configuration operated up to 123 K in pulsed mode, with a threshold current density of 1.3 kA/cm2 at 10 K. The QCL structures are modeled using an extended density matrix approach, and the large threshold current is attributed to parasitic current paths associated with the upper laser levels. The simplicity of this design makes it an ideal platform to investigate the scattering injection process.

  9. Evidence of an Improper Displacive Phase Transition in Cd2 Re2 O7 via Time-Resolved Coherent Phonon Spectroscopy

    NASA Astrophysics Data System (ADS)

    Harter, J. W.; Kennes, D. M.; Chu, H.; de la Torre, A.; Zhao, Z. Y.; Yan, J.-Q.; Mandrus, D. G.; Millis, A. J.; Hsieh, D.

    2018-01-01

    We have used a combination of ultrafast coherent phonon spectroscopy, ultrafast thermometry, and time-dependent Landau theory to study the inversion symmetry breaking phase transition at Tc=200 K in the strongly spin-orbit coupled correlated metal Cd2 Re2 O7 . We establish that the structural distortion at Tc is a secondary effect through the absence of any softening of its associated phonon mode, which supports a purely electronically driven mechanism. However, the phonon lifetime exhibits an anomalously strong temperature dependence that decreases linearly to zero near Tc. We show that this behavior naturally explains the spurious appearance of phonon softening in previous Raman spectroscopy experiments and should be a prevalent feature of correlated electron systems with linearly coupled order parameters.

  10. Optical phonon modes and polaron related parameters in GaxIn1-xP

    NASA Astrophysics Data System (ADS)

    Bouarissa, N.; Algarni, H.; Al-Hagan, O. A.; Khan, M. A.; Alhuwaymel, T. F.

    2018-02-01

    Based on a pseudopotential approach under the virtual crystal approximation that includes the effect of compositional disorder, the optical lattice vibration frequencies and polaron related parameters in zinc-blende GaxIn1-xP have been studied. Our findings showed generally reasonably good accord with data in the literature. Other case, our results are predictions. The composition dependence of longitudinal optical (LO) and transverse optical (TO) phonon modes, LO-TO splittings, Frӧhlich coupling parameter, Debye temperature of LO phonon frequency, and polaron effective mass has been analyzed and discussed. While a non-monotonic behavior has been noticed for the LO and TO phonon frequencies versus Ga concentration x, a monotonic behavior has been observed for the rest of the features of interest. The information derived from this investigation may be useful for optoelectronic technological applications.

  11. Heat guiding and focusing using ballistic phonon transport in phononic nanostructures

    NASA Astrophysics Data System (ADS)

    Anufriev, Roman; Ramiere, Aymeric; Maire, Jeremie; Nomura, Masahiro

    2017-05-01

    Unlike classical heat diffusion at macroscale, nanoscale heat conduction can occur without energy dissipation because phonons can ballistically travel in straight lines for hundreds of nanometres. Nevertheless, despite recent experimental evidence of such ballistic phonon transport, control over its directionality, and thus its practical use, remains a challenge, as the directions of individual phonons are chaotic. Here, we show a method to control the directionality of ballistic phonon transport using silicon membranes with arrays of holes. First, we demonstrate that the arrays of holes form fluxes of phonons oriented in the same direction. Next, we use these nanostructures as directional sources of ballistic phonons and couple the emitted phonons into nanowires. Finally, we introduce thermal lens nanostructures, in which the emitted phonons converge at the focal point, thus focusing heat into a spot of a few hundred nanometres. These results motivate the concept of ray-like heat manipulations at the nanoscale.

  12. Heat guiding and focusing using ballistic phonon transport in phononic nanostructures.

    PubMed

    Anufriev, Roman; Ramiere, Aymeric; Maire, Jeremie; Nomura, Masahiro

    2017-05-18

    Unlike classical heat diffusion at macroscale, nanoscale heat conduction can occur without energy dissipation because phonons can ballistically travel in straight lines for hundreds of nanometres. Nevertheless, despite recent experimental evidence of such ballistic phonon transport, control over its directionality, and thus its practical use, remains a challenge, as the directions of individual phonons are chaotic. Here, we show a method to control the directionality of ballistic phonon transport using silicon membranes with arrays of holes. First, we demonstrate that the arrays of holes form fluxes of phonons oriented in the same direction. Next, we use these nanostructures as directional sources of ballistic phonons and couple the emitted phonons into nanowires. Finally, we introduce thermal lens nanostructures, in which the emitted phonons converge at the focal point, thus focusing heat into a spot of a few hundred nanometres. These results motivate the concept of ray-like heat manipulations at the nanoscale.

  13. Effect of oxygen vacancies and strain on the phonon spectrum of HfO2 thin films

    NASA Astrophysics Data System (ADS)

    Gao, Lingyuan; Yalon, Eilam; Chew, Annabel R.; Deshmukh, Sanchit; Salleo, Alberto; Pop, Eric; Demkov, Alexander A.

    2017-06-01

    The effect of strain and oxygen deficiency on the Raman spectrum of monoclinic HfO2 is investigated theoretically using first-principles calculations. 1% in-plane compressive strain applied to a and c axes is found to blue shift the phonon frequencies, while 1% tensile strain does the opposite. The simulations are compared, and good agreement is found with the experimental results of Raman frequencies greater than 110 cm-1 for 50 nm HfO2 thin films. Several Raman modes measured below 110 cm-1 and previously assigned to HfO2 are found to be rotational modes of gases present in air ambient (nitrogen and oxygen). However, localized vibrational modes introduced by threefold-coordinated oxygen (O3) vacancies are identified at 96.4 cm-1 computationally. These results are important for a deeper understanding of vibrational modes in HfO2, which has technological applications in transistors and particularly in resistive random-access memory whose operation relies on oxygen-deficient HfOx.

  14. Hybrid surface-phonon-plasmon polariton modes in graphene/monolayer h-BN heterostructures.

    PubMed

    Brar, Victor W; Jang, Min Seok; Sherrott, Michelle; Kim, Seyoon; Lopez, Josue J; Kim, Laura B; Choi, Mansoo; Atwater, Harry

    2014-07-09

    Infrared transmission measurements reveal the hybridization of graphene plasmons and the phonons in a monolayer hexagonal boron nitride (h-BN) sheet. Frequency-wavevector dispersion relations of the electromagnetically coupled graphene plasmon/h-BN phonon modes are derived from measurement of nanoresonators with widths varying from 30 to 300 nm. It is shown that the graphene plasmon mode is split into two distinct optical modes that display an anticrossing behavior near the energy of the h-BN optical phonon at 1370 cm(-1). We explain this behavior as a classical electromagnetic strong-coupling with the highly confined near fields of the graphene plasmons allowing for hybridization with the phonons of the atomically thin h-BN layer to create two clearly separated new surface-phonon-plasmon-polariton (SPPP) modes.

  15. 2-D modeling of dual-mode acoustic phonon excitation of a triangular nanoplate

    NASA Astrophysics Data System (ADS)

    Tai, Po-Tse; Yu, Pyng; Tang, Jau

    2010-08-01

    In this theoretical work, we investigated coherent phonon excitation of a triangular nanoplate based on 2-D Fermi-Pasta-Ulam lattice model. Based on the two-temperature model commonly used in description of laser heating of metals, we considered two kinds of forces related to electronic and lattice stresses. Based on extensive simulation and analysis, we identified two major planar phonon modes, namely, a standing wave mode related to the triangle bisector and another mode corresponding to half of the side length. This work elucidates the roles of laser-induced electronic stress and lattice stress in controlling the initial phase and the amplitude ratio between these two phonon modes.

  16. Heat guiding and focusing using ballistic phonon transport in phononic nanostructures

    PubMed Central

    Anufriev, Roman; Ramiere, Aymeric; Maire, Jeremie; Nomura, Masahiro

    2017-01-01

    Unlike classical heat diffusion at macroscale, nanoscale heat conduction can occur without energy dissipation because phonons can ballistically travel in straight lines for hundreds of nanometres. Nevertheless, despite recent experimental evidence of such ballistic phonon transport, control over its directionality, and thus its practical use, remains a challenge, as the directions of individual phonons are chaotic. Here, we show a method to control the directionality of ballistic phonon transport using silicon membranes with arrays of holes. First, we demonstrate that the arrays of holes form fluxes of phonons oriented in the same direction. Next, we use these nanostructures as directional sources of ballistic phonons and couple the emitted phonons into nanowires. Finally, we introduce thermal lens nanostructures, in which the emitted phonons converge at the focal point, thus focusing heat into a spot of a few hundred nanometres. These results motivate the concept of ray-like heat manipulations at the nanoscale. PMID:28516909

  17. Phonon-enhanced crystal growth and lattice healing

    DOEpatents

    Buonassisi, Anthony; Bertoni, Mariana; Newman, Bonna

    2013-05-28

    A system for modifying dislocation distributions in semiconductor materials is provided. The system includes one or more vibrational sources for producing at least one excitation of vibrational mode having phonon frequencies so as to enhance dislocation motion through a crystal lattice.

  18. Low-Frequency Raman Modes of 2H-TaSe2 in the Charge Density Wave Phase

    NASA Astrophysics Data System (ADS)

    Chowdhury, Sugata; Simpson, J.; Einstein, T. L.; Hight Walker, A. R.; Theoretical Collaboration

    With changes in temperatures, tantalum diselenide (2H-TaSe2) , a layered, transition metal chalcogenides (TMD) exhibits unique super-lattice structures. The metallic ground state changes to an incommensurate charge density wave (CDW) state at 122?K followed by a commensurate CDW state at 90?K, and eventually a superconducting state 0.14 K. These phase transitions are driven by strong electron-phonon coupling and favored by the particular form of the Fermi surface of these systems. Here we theoretically studied the structural origin of low-frequency Raman modes of bulk 2H-TaSe2\\ in the CDW phases. Our calculations reveal that changes observed in the Raman modes are associated with the thermal expansion in the basal plane of 2H-TaSe2. The Grüneisen parameters of these two Raman modes increase in the CDW phases. Changes in the lattice parameter ``a'' are large compared to ``c'' which induces strain along the a-axis. We compared our results with experimental data which show low-frequency Raman phonon modes are very sensitive to temperature and are not observed in the metallic room-temperature state. In addition, we found that cation displacement is more than anion in CDW phase. Our results may shed more light on exact nature of the CDW instability and optical properties in this system.

  19. Role of electron-phonon coupling and thermal expansion on band gaps, carrier mobility, and interfacial offsets in kesterite thin-film solar cells

    NASA Astrophysics Data System (ADS)

    Monserrat, Bartomeu; Park, Ji-Sang; Kim, Sunghyun; Walsh, Aron

    2018-05-01

    The efficiencies of solar cells based on kesterite Cu2ZnSnS4 (CZTS) and Cu2ZnSnSe4 (CZTSe) are limited by a low open-circuit voltage due to high rates of non-radiative electron-hole recombination. To probe the origin of this bottleneck, we calculate the band offset of CZTS(Se) with CdS, confirming a weak spike of 0.1 eV for CZTS/wurtzite-CdS and a strong spike of 0.4 eV for CZTSe/wurtzite-CdS. We also consider the effects of temperature on the band alignment, finding that increasing temperature significantly enhances the spike-type offset. We further resolve an outstanding discrepancy between the measured and calculated phonon frequencies for the kesterites, and use these to estimate the upper limit of electron and hole mobilities based on optic phonon Fröhlich scattering, which uncovers an intrinsic asymmetry with faster (minority carrier) electron mobility.

  20. Phononic Crystal Waveguide Transducers for Nonlinear Elastic Wave Sensing.

    PubMed

    Ciampa, Francesco; Mankar, Akash; Marini, Andrea

    2017-11-07

    Second harmonic generation is one of the most sensitive and reliable nonlinear elastic signatures for micro-damage assessment. However, its detection requires powerful amplification systems generating fictitious harmonics that are difficult to discern from pure nonlinear elastic effects. Current state-of-the-art nonlinear ultrasonic methods still involve impractical solutions such as cumbersome signal calibration processes and substantial modifications of the test component in order to create material-based tunable harmonic filters. Here we propose and demonstrate a valid and sensible alternative strategy involving the development of an ultrasonic phononic crystal waveguide transducer that exhibits both single and multiple frequency stop-bands filtering out fictitious second harmonic frequencies. Remarkably, such a sensing device can be easily fabricated and integrated on the surface of the test structure without altering its mechanical and geometrical properties. The design of the phononic crystal structure is supported by a perturbative theoretical model predicting the frequency band-gaps of periodic plates with sinusoidal corrugation. We find our theoretical findings in excellent agreement with experimental testing revealing that the proposed phononic crystal waveguide transducer successfully attenuates second harmonics caused by the ultrasonic equipment, thus demonstrating its wide range of potential applications for acousto/ultrasonic material damage inspection.

  1. Demonstration of suppressed phonon tunneling losses in phononic bandgap shielded membrane resonators for high-Q optomechanics.

    PubMed

    Tsaturyan, Yeghishe; Barg, Andreas; Simonsen, Anders; Villanueva, Luis Guillermo; Schmid, Silvan; Schliesser, Albert; Polzik, Eugene S

    2014-03-24

    Dielectric membranes with exceptional mechanical and optical properties present one of the most promising platforms in quantum opto-mechanics. The performance of stressed silicon nitride nanomembranes as mechanical resonators notoriously depends on how their frame is clamped to the sample mount, which in practice usually necessitates delicate, and difficult-to-reproduce mounting solutions. Here, we demonstrate that a phononic bandgap shield integrated in the membrane's silicon frame eliminates this dependence, by suppressing dissipation through phonon tunneling. We dry-etch the membrane's frame so that it assumes the form of a cm-sized bridge featuring a 1-dimensional periodic pattern, whose phononic density of states is tailored to exhibit one, or several, full band gaps around the membrane's high-Q modes in the MHz-range. We quantify the effectiveness of this phononic bandgap shield by optical interferometry measuring both the suppressed transmission of vibrations, as well as the influence of frame clamping conditions on the membrane modes. We find suppressions up to 40 dB and, for three different realized phononic structures, consistently observe significant suppression of the dependence of the membrane's modes on sample clamping-if the mode's frequency lies in the bandgap. As a result, we achieve membrane mode quality factors of 5 × 10(6) with samples that are tightly bolted to the 8 K-cold finger of a cryostat. Q × f -products of 6 × 10(12) Hz at 300 K and 14 × 10(12) Hz at 8 K are observed, satisfying one of the main requirements for optical cooling of mechanical vibrations to their quantum ground-state.

  2. Dispersion, mode-mixing and the electron-phonon interaction in nanostructures

    NASA Astrophysics Data System (ADS)

    Dyson, A.; Ridley, B. K.

    2018-03-01

    The electron-phonon interaction with polar optical modes in nanostructures is re-examined in the light of phonon dispersion relations and the role of the Fuchs-Kliewer (FK) mode. At an interface between adjacent polar materials the frequencies of the FK mode are drawn from the dielectric constants of the adjacent materials and are significantly smaller than the corresponding frequencies of the longitudinal optic (LO) modes at the zone centre. The requirement that all polar modes satisfy mechanical and electrical boundary conditions forces the modes to become hybrids. For a hybrid to have both FK and LO components the LO mode must have the FK frequency, which can only come about through the reduction associated with phonon dispersion relations. We illustrate the effect of phonon dispersion relations on the Fröhlich interaction by considering a simple linear-chain model of the zincblende lattice. Optical and acoustic modes become mixed towards short wavelengths in both optical and acoustic branches. A study of GaAs, InP and cubic GaN and AlN shows that the polarity of the optical branch and the acousticity of the acoustic branch are reduced by dispersion in equal measures, but the effect is relatively weak. Coupling coefficients quantifying the strengths of the interaction with electrons for optical and acoustic components of mixed modes in the optical branch show that, in most cases, the polar interaction dominates the acoustic interaction, and it is reduced from the long-wavelength result towards the zone boundary by only a few percent. The effect on the lower-frequency FK mode can be large.

  3. Magnetic and low temperature phonon studies of CoCr2O4 powders doped with Fe(III) and Ni(II) ions

    NASA Astrophysics Data System (ADS)

    Ptak, M.; Mączka, M.; Pikul, A.; Tomaszewski, P. E.; Hanuza, J.

    2014-04-01

    Extensive temperature-dependent phonon studies and low-temperature magnetic measurements of CoCr2-xFexO4 (for x=0.5, 1 and 2) and Co0.9Ni0.1Cr2O4 polycrystalline powders are presented. The main aim of these studies was to obtain information on phonon and structural properties of these compounds as well as strength of spin-phonon coupling in the magnetically ordered phases. IR and Raman spectra show that doping of CoCr2O4 with Fe(III) ions leads to broadening of bands and appearance of new bands due to the formation of inverted spinel structure. In contrast to this behavior, doping with 10 mol% of Ni(II) ions leads to weak increase of band width only. Magnetization measured as a function of temperature and external magnetic field showed that magnetic properties of Co0.9Ni0.1Cr2O4 sample are similar to those reported for pure CoCr2O4, i.e., partial substitution of Ni(II) for Co(II) leads to slight shift of the ferrimagnetic phase transition at TC and spiral spin order transition at TS towards lower values. The change of crystallization preference induced by incorporation of increasing concentration of Fe(III) ions in the spinel lattice causes significant increase of TC and decrease of TS. The latter transition disappears completely for higher concentrations of Fe(III). The performed temperature-dependent IR studies revealed interesting anomalous behavior of phonons below TC for CoCr1.5Fe0.5O4 and Co0.9Ni0.1Cr2O4, which was attributed to spin-phonon coupling.

  4. Phonon conduction in GaN-diamond composite substrates

    NASA Astrophysics Data System (ADS)

    Cho, Jungwan; Francis, Daniel; Altman, David H.; Asheghi, Mehdi; Goodson, Kenneth E.

    2017-02-01

    The integration of strongly contrasting materials can enable performance benefits for semiconductor devices. One example is composite substrates of gallium nitride (GaN) and diamond, which promise dramatically improved conduction cooling of high-power GaN transistors. Here, we examine phonon conduction in GaN-diamond composite substrates fabricated using a GaN epilayer transfer process through transmission electron microscopy, measurements using time-domain thermoreflectance, and semiclassical transport theory for phonons interacting with interfaces and defects. Thermoreflectance amplitude and ratio signals are analyzed at multiple modulation frequencies to simultaneously extract the thermal conductivity of GaN layers and the thermal boundary resistance across GaN-diamond interfaces at room temperature. Uncertainties in the measurement of these two properties are estimated considering those of parameters, including the thickness of a topmost metal transducer layer, given as an input to a multilayer thermal model, as well as those associated with simultaneously fitting the two properties. The volume resistance of an intermediate, disordered SiN layer between the GaN and diamond, as well as a presence of near-interfacial defects in the GaN and diamond, dominates the measured GaN-diamond thermal boundary resistances as low as 17 m2 K GW-1. The GaN thermal conductivity data are consistent with the semiclassical phonon thermal conductivity integral model that accounts for the size effect as well as phonon scattering on point defects at concentrations near 3 × 1018 cm-3.

  5. Phonon spectroscopy with sub-meV resolution by femtosecond x-ray diffuse scattering

    DOE PAGES

    Zhu, Diling; Robert, Aymeric; Henighan, Tom; ...

    2015-08-10

    We present a reconstruction of the transverse acoustic phonon dispersion of germanium from femtosecond time-resolved x-ray diffuse scattering measurements at the Linac Coherent Light Source. We demonstrate an energy resolution of 0.3 meV with a momentum resolution of 0.01 nm -1 using 10-keV x rays with a bandwidth of ~ 1 eV. This high resolution was achieved simultaneously for a large section of reciprocal space including regions closely following three of the principal symmetry directions. The phonon dispersion was reconstructed with less than 3 h of measurement time, during which neither the x-ray energy, the sample orientation, nor the detectormore » position were scanned. In conclusion, these results demonstrate how time-domain measurements can complement conventional frequency domain inelastic-scattering techniques.« less

  6. Probing the interatomic potential of solids with strong-field nonlinear phononics

    NASA Astrophysics Data System (ADS)

    von Hoegen, A.; Mankowsky, R.; Fechner, M.; Först, M.; Cavalleri, A.

    2018-03-01

    Nonlinear optical techniques at visible frequencies have long been applied to condensed matter spectroscopy. However, because many important excitations of solids are found at low energies, much can be gained from the extension of nonlinear optics to mid-infrared and terahertz frequencies. For example, the nonlinear excitation of lattice vibrations has enabled the dynamic control of material functions. So far it has only been possible to exploit second-order phonon nonlinearities at terahertz field strengths near one million volts per centimetre. Here we achieve an order-of-magnitude increase in field strength and explore higher-order phonon nonlinearities. We excite up to five harmonics of the A1 (transverse optical) phonon mode in the ferroelectric material lithium niobate. By using ultrashort mid-infrared laser pulses to drive the atoms far from their equilibrium positions, and measuring the large-amplitude atomic trajectories, we can sample the interatomic potential of lithium niobate, providing a benchmark for ab initio calculations for the material. Tomography of the energy surface by high-order nonlinear phononics could benefit many aspects of materials research, including the study of classical and quantum phase transitions.

  7. Nonlocal dynamics of dissipative phononic fluids

    NASA Astrophysics Data System (ADS)

    Nemati, Navid; Lee, Yoonkyung E.; Lafarge, Denis; Duclos, Aroune; Fang, Nicholas

    2017-06-01

    We describe the nonlocal effective properties of a two-dimensional dissipative phononic crystal made by periodic arrays of rigid and motionless cylinders embedded in a viscothermal fluid such as air. The description is based on a nonlocal theory of sound propagation in stationary random fluid/rigid media that was proposed by Lafarge and Nemati [Wave Motion 50, 1016 (2013), 10.1016/j.wavemoti.2013.04.007]. This scheme arises from a deep analogy with electromagnetism and a set of physics-based postulates including, particularly, the action-response procedures, whereby the effective density and bulk modulus are determined. Here, we revisit this approach, and clarify further its founding physical principles through presenting it in a unified formulation together with the two-scale asymptotic homogenization theory that is interpreted as the local limit. Strong evidence is provided to show that the validity of the principles and postulates within the nonlocal theory extends to high-frequency bands, well beyond the long-wavelength regime. In particular, we demonstrate that up to the third Brillouin zone including the Bragg scattering, the complex and dispersive phase velocity of the least-attenuated wave in the phononic crystal which is generated by our nonlocal scheme agrees exactly with that reproduced by a direct approach based on the Bloch theorem and multiple scattering method. In high frequencies, the effective wave and its associated parameters are analyzed by treating the phononic crystal as a random medium.

  8. Resonant-phonon-assisted THz quantum cascade lasers with metal-metal waveguides.

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Callebaut, Hans; Kohen, Stephen; Kumar, Sushil

    2004-06-01

    We report our development of terahertz (THz) quantum-cascade lasers (QCLs) based on two novel features. First, the depopulation of the lower radiative level is achieved through resonant longitudinal optical (LO-)phonon scattering. This depopulation mechanism is robust at high temperatures and high injection levels. In contrast to infrared QCLs that also use LO-phonon scattering for depopulation, in our THz lasers the selectivity of the depopulation scattering is achieved through a combination of resonant tunneling and LO-phonon scattering, hence the term resonant phonon. This resonant-phonon scheme allows a highly selective depopulation of the lower radiative level with a sub-picosecond lifetime, while maintainingmore » a relatively long upper level lifetime (>5 ps) that is due to upper-to-ground-state scattering. The second feature of our lasers is that mode confinement is achieved by using a novel double-sided metal-metal waveguide, which yields an essentially unity mode confinement factor and therefore a low total cavity loss at THz frequencies. Based on these two unique features, we have achieved some record performance, including, but not limited to, the highest pulsed operating temperature of 137 K, the highest continuous-wave operating temperature of 97 K, and the longest wavelength of 141 {micro}m (corresponding to 2.1 THz) without the assistance of a magnetic field.« less

  9. Strong anharmonicity in the phonon spectra of PbTe and SnTe from first principles

    NASA Astrophysics Data System (ADS)

    Ribeiro, Guilherme A. S.; Paulatto, Lorenzo; Bianco, Raffaello; Errea, Ion; Mauri, Francesco; Calandra, Matteo

    2018-01-01

    At room temperature, PbTe and SnTe are efficient thermoelectrics with a cubic structure. At low temperature, SnTe undergoes a ferroelectric transition with a critical temperature strongly dependent on the hole concentration, while PbTe is an incipient ferroelectric. By using the stochastic self-consistent harmonic approximation, we investigate the anharmonic phonon spectra and the occurrence of a ferroelectric transition in both systems. We find that vibrational spectra strongly depend on the approximation used for the exchange-correlation kernel in density-functional theory. If gradient corrections and the theoretical volume are employed, then the calculation of the phonon frequencies as obtained from the diagonalization of the free-energy Hessian leads to phonon spectra in good agreement with experimental data for both systems. In PbTe we evaluate the linear thermal expansion coefficient γ =2.3 ×10-5K-1 , finding it to be in good agreement with experimental value of γ =2.04 ×10-5K-1 . Furthermore, we study the phonon spectrum and we do reproduce the transverse optical mode phonon satellite detected in inelastic neutron scattering and the crossing between the transverse optical and the longitudinal acoustic modes along the Γ X direction. The phonon satellite becomes broader at high temperatures but its energy is essentially temperature independent, in agreement with experiments. We decompose the self-consistent harmonic free energy in second-, third-, and fourth-order anharmonic terms. We find that the third- and fourth-order terms are small. However, treating the third-order term perturbatively on top of the second-order self-consistent harmonic free energy overestimates the energy of the satellite associated with the transverse optical mode. On the contrary, a perturbative treatment on top of the harmonic Hamiltonian breaks down and leads to imaginary phonon frequencies already at 300 K. In the case of SnTe, we describe the occurrence of a ferroelectric

  10. Electron-phonon Interactions in HTSC Cuprates

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Egami, T.; Chung, J.-H.; McQueeny, R. J.

    Phonons have been generally considered to be irrelevant to the high-temperature superconductivity in the cuprates. However, such a bias is usually based upon the assumption of conventional electron-phonon coupling, while in the cuprates the coupling can be rather unconventional because of strong electron correlation. We present the results of our recent measurements of phonon dispersion in YBa{sub 2}Cu{sub 3}O{sub 6+x} by inelastic neutron scattering. These suggest certain phonon modes interact strongly with electrons and are closely involved in the superconductivity phenomenon with possible contribution to pairing.

  11. Nonbolometric bottleneck in electron-phonon relaxation in ultrathin WSi films

    NASA Astrophysics Data System (ADS)

    Sidorova, Mariia V.; Kozorezov, A. G.; Semenov, A. V.; Korneeva, Yu. P.; Mikhailov, M. Yu.; Devizenko, A. Yu.; Korneev, A. A.; Chulkova, G. M.; Goltsman, G. N.

    2018-05-01

    We developed the model of the internal phonon bottleneck to describe the energy exchange between the acoustically soft ultrathin metal film and acoustically rigid substrate. Discriminating phonons in the film into two groups, escaping and nonescaping, we show that electrons and nonescaping phonons may form a unified subsystem, which is cooled down only due to interactions with escaping phonons, either due to direct phonon conversion or indirect sequential interaction with an electronic system. Using an amplitude-modulated absorption of the sub-THz radiation technique, we studied electron-phonon relaxation in ultrathin disordered films of tungsten silicide. We found an experimental proof of the internal phonon bottleneck. The experiment and simulation based on the proposed model agree well, resulting in τe -ph˜14 0 -19 0 ps at TC=3.4 K , supporting the results of earlier measurements by independent techniques.

  12. Glass-like phonon scattering from a spontaneous nanostructure in AgSbTe2.

    PubMed

    Ma, J; Delaire, O; May, A F; Carlton, C E; McGuire, M A; VanBebber, L H; Abernathy, D L; Ehlers, G; Hong, Tao; Huq, A; Tian, Wei; Keppens, V M; Shao-Horn, Y; Sales, B C

    2013-06-01

    Materials with very low thermal conductivity are of great interest for both thermoelectric and optical phase-change applications. Synthetic nanostructuring is most promising for suppressing thermal conductivity through phonon scattering, but challenges remain in producing bulk samples. In crystalline AgSbTe2 we show that a spontaneously forming nanostructure leads to a suppression of thermal conductivity to a glass-like level. Our mapping of the phonon mean free paths provides a novel bottom-up microscopic account of thermal conductivity and also reveals intrinsic anisotropies associated with the nanostructure. Ground-state degeneracy in AgSbTe2 leads to the natural formation of nanoscale domains with different orderings on the cation sublattice, and correlated atomic displacements, which efficiently scatter phonons. This mechanism is general and suggests a new avenue for the nanoscale engineering of materials to achieve low thermal conductivities for efficient thermoelectric converters and phase-change memory devices.

  13. Origin of the "waterfall" effect in phonon dispersion of relaxor perovskites.

    PubMed

    Hlinka, J; Kamba, S; Petzelt, J; Kulda, J; Randall, C A; Zhang, S J

    2003-09-05

    We have undertaken an inelastic neutron scattering study of the perovskite relaxor ferroelectric Pb(Zn(1/3)Nb(2/3))O3 with 8% PbTiO3 (PZN-8%PT) in order to elucidate the origin of the previously reported unusual kink on the low frequency transverse phonon dispersion curve (known as the "waterfall effect"). We show that its position (q(wf)) depends on the choice of the Brillouin zone and that the relation of q(wf) to the size of the polar nanoregions is highly improbable. The waterfall phenomenon is explained in the framework of a simple model of coupled damped harmonic oscillators representing the acoustic and optic phonon branches.

  14. Correlated phonons and the Tc-dependent dynamical phonon anomalies

    NASA Astrophysics Data System (ADS)

    Hakioğlu, T.; Türeci, H.

    1997-11-01

    Anomalously large low-temperature phonon anharmonicities can lead to static as well as dynamical changes in the low-temperature properties of the electron-phonon system. In this work, we focus our attention on the dynamically generated low-temperature correlations in an interacting electron-phonon system using a self-consistent dynamical approach in the intermediate coupling range. In the context of the model, the polaron correlations are produced by the charge-density fluctuations which are generated dynamically by the electron-phonon coupling. Conversely, the latter is influenced in the presence of the former. The purpose of this work is to examine the dynamics of this dual mechanism between the two using the illustrative Fröhlich model. In particular, the influence of the low-temperature phonon dynamics on the superconducting properties in the intermediate coupling range is investigated. The influence on the Holstein reduction factor as well as the enhancement in the zero-point fluctuations and in the electron-phonon coupling are calculated numerically. We also examine these effects in the presence of superconductivity. Within this model, the contribution of the electron-phonon interaction as one of the important elements in the mechanisms of superconductivity can reach values as high as 15-20% of the characteristic scale of the lattice vibrational energy. The second motivation of this work is to understand the nature of the Tc-dependent temperature anomalies observed in the Debye-Waller factor, dynamical pair correlations, and average atomic vibrational energies for a number of high-temperature superconductors. In our approach we do not claim nor believe that the electron-phonon interaction is the primary mechanism leading to high-temperature superconductivity. Nevertheless, our calculations suggest that the dynamically induced low-temperature phonon correlation model can account for these anomalies and illustrates their possible common origin. Finally, the

  15. INTERDISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: Polar Mixing Optical Phonon Spectra in Wurtzite GaN Cylindrical Quantum Dots: Quantum Size and Dielectric Effects

    NASA Astrophysics Data System (ADS)

    Zhang, Li; Liao, Jian-Shang

    2010-05-01

    The interface-optical-propagating (IO-PR) mixing phonon modes of a quasi-zero-dimensional (QoD) wurtzite cylindrical quantum dot (QD) structure are derived and studied by employing the macroscopic dielectric continuum model. The analytical phonon states of IO-PR mixing modes are given. It is found that there are two types of IO-PR mixing phonon modes, i.e. ρ-IO/z-PR mixing modes and the z-IO/ρ-PR mixing modes existing in QoD wurtzite QDs. And each IO-PR mixing modes also have symmetrical and antisymmetrical forms. Via a standard procedure of field quantization, the Fröhlich Hamiltonians of electron-(IO-PR) mixing phonons interaction are obtained. Numerical calculations on a wurtzite GaN cylindrical QD are performed. The results reveal that both the radial-direction size and the axial-direction size as well as the dielectric matrix have great influence on the dispersive frequencies of the IO-PR mixing phonon modes. The limiting features of dispersive curves of these phonon modes are discussed in depth. The phonon modes “reducing" behavior of wurtzite quantum confined systems has been observed obviously in the structures. Moreover, the degenerating behaviors of the IO-PR mixing phonon modes in wurtzite QoD QDs to the IO modes and PR modes in wurtzite Q2D QW and Q1D QWR systems are analyzed deeply from both of the viewpoints of physics and mathematics.

  16. Spectroscopy of infrared-active phonons in high-temperature superconductors

    NASA Technical Reports Server (NTRS)

    Litvinchuk, A. P.; Thomsen, C.; Cardona, M.; Borjesson, L.

    1995-01-01

    For a large variety of superconducting materials both experimental and theoretical lattice dynamical studies have been performed to date. The assignment of the observed infrared- and Raman-active phonon modes to the particular lattice eigenmodes is generally accepted. We will concentrate here upon the analysis of the changes of the infrared-phonon parameters (frequency and linewidth) upon entering the superconducting state which, as will be shown, may provide information on the magnitude of the superconductivity-related gap and its dependence on the superconducting transition temperature Tc.

  17. Band structures in two-dimensional phononic crystals with periodic Jerusalem cross slot

    NASA Astrophysics Data System (ADS)

    Li, Yinggang; Chen, Tianning; Wang, Xiaopeng; Yu, Kunpeng; Song, Ruifang

    2015-01-01

    In this paper, a novel two-dimensional phononic crystal composed of periodic Jerusalem cross slot in air matrix with a square lattice is presented. The dispersion relations and the transmission coefficient spectra are calculated by using the finite element method based on the Bloch theorem. The formation mechanisms of the band gaps are analyzed based on the acoustic mode analysis. Numerical results show that the proposed phononic crystal structure can yield large band gaps in the low-frequency range. The formation mechanism of opening the acoustic band gaps is mainly attributed to the resonance modes of the cavities inside the Jerusalem cross slot structure. Furthermore, the effects of the geometrical parameters on the band gaps are further explored numerically. Results show that the band gaps can be modulated in an extremely large frequency range by the geometry parameters such as the slot length and width. These properties of acoustic waves in the proposed phononic crystals can potentially be applied to optimize band gaps and generate low-frequency filters and waveguides.

  18. Blue and red shifted temperature dependence of implicit phonon shifts in graphene

    NASA Astrophysics Data System (ADS)

    Mann, Sarita; Jindal, V. K.

    2017-07-01

    We have calculated the implicit shift for various modes of frequency in a pure graphene sheet. Thermal expansion and Grüneisen parameter which are required for implicit shift calculation have already been studied and reported. For this calculation, phonon frequencies are obtained using force constants derived from dynamical matrix calculated using VASP code where the density functional perturbation theory (DFPT) is used in interface with phonopy software. The implicit phonon shift shows an unusual behavior as compared to the bulk materials. The frequency shift is large negative (red shift) for ZA and ZO modes and the value of negative shift increases with increase in temperature. On the other hand, blue shift arises for all other longitudinal and transverse modes with a similar trend of increase with increase in temperature. The q dependence of phonon shifts has also been studied. Such simultaneous red and blue shifts in transverse or out plane modes and surface modes, respectively leads to speculation of surface softening in out of plane direction in preference to surface melting.

  19. Phonon-mediated high-T c superconductivity in hole-doped diamond-like crystalline hydrocarbon

    DOE PAGES

    Lian, Chao-Sheng; Wang, Jian-Tao; Duan, Wenhui; ...

    2017-05-03

    We here predict by ab initio calculations phonon-mediated high-T c superconductivity in hole-doped diamond-like cubic crystalline hydrocarbon K 4-CH (space group I2 1/3). This material possesses three key properties: (i) an all-sp 3 covalent carbon framework that produces high-frequency phonon modes, (ii) a steep-rising electronic density of states near the top of the valence band, and (iii) a Fermi level that lies in the σ-band, allowing for a strong coupling with the C-C bond-stretching modes. The simultaneous presence of these properties generates remarkably high superconducting transition temperatures above 80 K at an experimentally accessible hole doping level of only amore » few percent. These results identify a new extraordinary electron-phonon superconductor and pave the way for further exploration of this novel superconducting covalent metal.« less

  20. Self-consistent phonon calculations of lattice dynamical properties in cubic SrTiO3 with first-principles anharmonic force constants

    NASA Astrophysics Data System (ADS)

    Tadano, Terumasa; Tsuneyuki, Shinji

    2015-08-01

    We present an ab initio framework to calculate anharmonic phonon frequency and phonon lifetime that is applicable to severely anharmonic systems. We employ self-consistent phonon (SCPH) theory with microscopic anharmonic force constants, which are extracted from density functional calculations using the least absolute shrinkage and selection operator technique. We apply the method to the high-temperature phase of SrTiO3 and obtain well-defined phonon quasiparticles that are free from imaginary frequencies. Here we show that the anharmonic phonon frequency of the antiferrodistortive mode depends significantly on the system size near the critical temperature of the cubic-to-tetragonal phase transition. By applying perturbation theory to the SCPH result, phonon lifetimes are calculated for cubic SrTiO3, which are then employed to predict lattice thermal conductivity using the Boltzmann transport equation within the relaxation-time approximation. The presented methodology is efficient and accurate, paving the way toward a reliable description of thermodynamic, dynamic, and transport properties of systems with severe anharmonicity, including thermoelectric, ferroelectric, and superconducting materials.

  1. Evidence of superconductivity-induced phonon spectra renormalization in alkali-doped iron selenides

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Opačić, M.; Lazarević, N.; Šćepanović, M.

    2015-11-16

    Polarized Raman scattering spectra of superconducting K xFe 2-ySe 2 and nonsuperconducting K 0.8Fe 1.8Co 0.2Se 2 single crystals were measured in a temperature range from 10 K up to 300 K. Two Raman active modes from the I4/mmm phase and seven from the I4/m phase are observed in frequency range from 150 to 325 cm -1 in both compounds, suggesting that K 0.8Fe 1.8Co 0.2Se 2 single crystal also has two-phase nature. Temperature dependence of Raman mode energy is analyzed in terms of lattice thermal expansion and phonon-phonon interaction. Temperature dependence of Raman mode linewidth is considered as temperature-inducedmore » anharmonic effects. It is shown that change of Raman mode energy with temperature is dominantly driven by thermal expansion of the crystal lattice. Abrupt change of the A 1g mode energy near T C was observed in K xFe 2-ySe 2 , whereas it is absent in K 0.8Fe 1.8Co 0.2Se 2. Phonon energy hardening at low temperatures in the superconducting sample is a consequence of superconductivity-induced redistribution of the electronic states below critical temperature.« less

  2. A qubit coupled with confined phonons: The interplay between true and fake decoherence

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pouthier, Vincent

    2013-08-07

    The decoherence of a qubit coupled with the phonons of a finite-size lattice is investigated. The confined phonons no longer behave as a reservoir. They remain sensitive to the qubit so that the origin of the decoherence is twofold. First, a qubit-phonon entanglement yields an incomplete true decoherence. Second, the qubit renormalizes the phonon frequency resulting in fake decoherence when a thermal average is performed. To account for the initial thermalization of the lattice, the qua- ntum Langevin theory is applied so that the phonons are viewed as an open system coupled with a thermal bath of harmonic oscillators. Consequently,more » it is shown that the finite lifetime of the phonons does not modify fake decoherence but strongly affects true decoherence. Depending on the values of the model parameters, the interplay between fake and true decoherence yields a very rich dynamics with various regimes.« less

  3. Experimental evidence of zone-center optical phonon softening by accumulating holes in thin Ge

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kabuyanagi, Shoichi; Nishimura, Tomonori; Yajima, Takeaki

    2016-01-15

    We discuss the impact of free carriers on the zone-center optical phonon frequency in germanium (Ge). By taking advantage of the Ge-on-insulator structure, we measured the Raman spectroscopy by applying back-gate bias. Phonon softening by accumulating holes in Ge film was clearly observed. This fact strongly suggests that the phonon softening in heavily-doped Ge is mainly attributed to the free carrier effect rather than the dopant atom counterpart. Furthermore, we propose that the free carrier effect on phonon softening is simply understandable from the viewpoint of covalent bonding modification by free carriers.

  4. Ultrafast electron-optical phonon scattering and quasiparticle lifetime in CVD-grown graphene.

    PubMed

    Shang, Jingzhi; Yu, Ting; Lin, Jianyi; Gurzadyan, Gagik G

    2011-04-26

    Ultrafast quasiparticle dynamics in graphene grown by chemical vapor deposition (CVD) has been studied by UV pump/white-light probe spectroscopy. Transient differential transmission spectra of monolayer graphene are observed in the visible probe range (400-650 nm). Kinetics of the quasiparticle (i.e., low-energy single-particle excitation with renormalized energy due to electron-electron Coulomb, electron-optical phonon (e-op), and optical phonon-acoustic phonon (op-ap) interactions) was monitored with 50 fs resolution. Extending the probe range to near-infrared, we find the evolution of quasiparticle relaxation channels from monoexponential e-op scattering to double exponential decay due to e-op and op-ap scattering. Moreover, quasiparticle lifetimes of mono- and randomly stacked graphene films are obtained for the probe photon energies continuously from 1.9 to 2.3 eV. Dependence of quasiparticle decay rate on the probe energy is linear for 10-layer stacked graphene films. This is due to the dominant e-op intervalley scattering and the linear density of states in the probed electronic band. A dimensionless coupling constant W is derived, which characterizes the scattering strength of quasiparticles by lattice points in graphene.

  5. Rainbow trapping of ultrasonic guided waves in chirped phononic crystal plates.

    PubMed

    Tian, Zhenhua; Yu, Lingyu

    2017-01-05

    The rainbow trapping effect has been demonstrated in electromagnetic and acoustic waves. In this study, rainbow trapping of ultrasonic guided waves is achieved in chirped phononic crystal plates that spatially modulate the dispersion, group velocity, and stopband. The rainbow trapping is related to the progressively slowing group velocity, and the extremely low group velocity near the lower boundary of a stopband that gradually varies in chirped phononic crystal plates. As guided waves propagate along the phononic crystal plate, waves gradually slow down and finally stop forward propagating. The energy of guided waves is concentrated at the low velocity region near the stopband. Moreover, the guided wave energy of different frequencies is concentrated at different locations, which manifests as rainbow guided waves. We believe implementing the rainbow trapping will open new paradigms for guiding and focusing of guided waves. Moreover, the rainbow guided waves with energy concentration and spatial separation of frequencies may have potential applications in nondestructive evaluation, spatial wave filtering, energy harvesting, and acoustofluidics.

  6. Evidence of spin phonon coupling in magnetoelectric NiFe{sub 2}O{sub 4}/PMN-PT composite

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ahlawat, Anju; Satapathy, S., E-mail: srinu73@rrcat.gov.in, E-mail: srinusatapathy@gmail.com; Gupta, P. K.

    2013-12-16

    The coupling of phonon with spin in strain coupled magnetoelectric NiFe{sub 2}O{sub 4} (NFO)/0.65Pb(Mg{sub 1/3}Nb{sub 2/3})O{sub 3}–0.35PbTiO{sub 3} (PMN-PT) composite was investigated by temperature-dependent Raman spectroscopy and magnetic measurements in the range 30–350 °C. Pure NFO shows usual ferromagnetic behaviour in this temperature range while NFO/PMN-PT composite show dramatic change in magnetic moment across ferroelectric transition temperature (T{sub c} ∼ 180 °C) of PMN-PT. The temperature evolution of the Raman spectra for the composite shows significant phonon anomalies in T-site (Fe-O) and O-site (Ni/Fe-O) phonon modes at ferroelectric transition temperature is attributed to spin phonon coupling in NFO/PMN-PT composite. The strain mediated magnetoelectric couplingmore » mechanism in this composite is apparent from the observed spin phonon interaction.« less

  7. Phonon group velocity and thermal conduction in superlattices

    NASA Astrophysics Data System (ADS)

    Tamura, Shin-Ichiro; Tanaka, Yukihiro; Maris, Humphrey J.

    1999-07-01

    With the use of a face-centered cubic model of lattice dynamics we calculate the group velocity of acoustic phonons in the growth direction of periodic superlattices. Comparing with the case of bulk solids, this component of the phonon group velocity is reduced due to the flattening of the dispersion curves associated with Brillouin-zone folding. The results are used to estimate semiquantitatively the effects on the lattice thermal conductivity in Si/Ge and GaAs/AlAs superlattices. For a Si/Ge superlattice an order of magnitude reduction is predicted in the ratio of superlattice thermal conductivity to phonon relaxation time [consistent with the results of P. Hyldgaard and G. D. Mahan, Phys. Rev. B 56, 10 754 (1997)]. For a GaAs/AlAs superlattice the corresponding reduction is rather small, i.e., a factor of 2-3. These effects are larger for the superlattices with larger unit period, contrary to the recent measurements of thermal conductivity in superlattices.

  8. Observation of chiral phonons

    NASA Astrophysics Data System (ADS)

    Zhu, Hanyu; Yi, Jun; Li, Ming-Yang; Xiao, Jun; Zhang, Lifa; Yang, Chih-Wen; Kaindl, Robert A.; Li, Lain-Jong; Wang, Yuan; Zhang, Xiang

    2018-02-01

    Chirality reveals symmetry breaking of the fundamental interaction of elementary particles. In condensed matter, for example, the chirality of electrons governs many unconventional transport phenomena such as the quantum Hall effect. Here we show that phonons can exhibit intrinsic chirality in monolayer tungsten diselenide. The broken inversion symmetry of the lattice lifts the degeneracy of clockwise and counterclockwise phonon modes at the corners of the Brillouin zone. We identified the phonons by the intervalley transfer of holes through hole-phonon interactions during the indirect infrared absorption, and we confirmed their chirality by the infrared circular dichroism arising from pseudoangular momentum conservation. The chiral phonons are important for electron-phonon coupling in solids, phonon-driven topological states, and energy-efficient information processing.

  9. Electron-phonon interaction model and prediction of thermal energy transport in SOI transistor.

    PubMed

    Jin, Jae Sik; Lee, Joon Sik

    2007-11-01

    An electron-phonon interaction model is proposed and applied to thermal transport in semiconductors at micro/nanoscales. The high electron energy induced by the electric field in a transistor is transferred to the phonon system through electron-phonon interaction in the high field region of the transistor. Due to this fact, a hot spot occurs, which is much smaller than the phonon mean free path in the Si-layer. The full phonon dispersion model based on the Boltzmann transport equation (BTE) with the relaxation time approximation is applied for the interactions among different phonon branches and different phonon frequencies. The Joule heating by the electron-phonon scattering is modeled through the intervalley and intravalley processes for silicon by introducing average electron energy. The simulation results are compared with those obtained by the full phonon dispersion model which treats the electron-phonon scattering as a volumetric heat source. The comparison shows that the peak temperature in the hot spot region is considerably higher and more localized than the previous results. The thermal characteristics of each phonon mode are useful to explain the above phenomena. The optical mode phonons of negligible group velocity obtain the highest energy density from electrons, and resides in the hot spot region without any contribution to heat transport, which results in a higher temperature in that region. Since the acoustic phonons with low group velocity show the higher energy density after electron-phonon scattering, they induce more localized heating near the hot spot region. The ballistic features are strongly observed when phonon-phonon scattering rates are lower than 4 x 10(10) S(-1).

  10. Ultra-confined surface phonon polaritons in molecular layers of van der Waals dielectrics.

    PubMed

    Dubrovkin, Alexander M; Qiang, Bo; Krishnamoorthy, Harish N S; Zheludev, Nikolay I; Wang, Qi Jie

    2018-05-02

    Improvements in device density in photonic circuits can only be achieved with interconnects exploiting highly confined states of light. Recently this has brought interest to highly confined plasmon and phonon polaritons. While plasmonic structures have been extensively studied, the ultimate limits of phonon polariton squeezing, in particular enabling the confinement (the ratio between the excitation and polariton wavelengths) exceeding 10 2 , is yet to be explored. Here, exploiting unique structure of 2D materials, we report for the first time that atomically thin van der Waals dielectrics (e.g., transition-metal dichalcogenides) on silicon carbide substrate demonstrate experimentally record-breaking propagating phonon polaritons confinement resulting in 190-times squeezed surface waves. The strongly dispersive confinement can be potentially tuned to greater than 10 3 near the phonon resonance of the substrate, and it scales with number of van der Waals layers. We argue that our findings are a substantial step towards infrared ultra-compact phonon polaritonic circuits and resonators, and would stimulate further investigations on nanophotonics in non-plasmonic atomically thin interface platforms.

  11. Superlubrication by phonon confinement

    NASA Astrophysics Data System (ADS)

    Wada, Noriyuki; Ishikawa, Makoto; Shiga, Takuma; Shiomi, Junichiro; Suzuki, Masaru; Miura, Kouji

    2018-04-01

    The superlubrication described here, involving confined phonons, is easily achievable and very simple because it uses only submicron islands, smaller than the mean free path of the phonons, to confine phonons. We can achieve superlubrication with a friction force of piconewton order at the submicron island. We can call this phononic lubrication or self-lubrication because phonons induced by tip shearing are confined within the submicron islands and decrease the friction during the subsequent sliding. Phonon confinement should make it possible to directly develop applications for lubricants and ultimately to open a novel avenue of tribology.

  12. Axial interface optical phonon modes in a double-nanoshell system.

    PubMed

    Kanyinda-Malu, C; Clares, F J; de la Cruz, R M

    2008-07-16

    Within the framework of the dielectric continuum (DC) model, we analyze the axial interface optical phonon modes in a double system of nanoshells. This system is constituted by two identical equidistant nanoshells which are embedded in an insulating medium. To illustrate our results, typical II-VI semiconductors are used as constitutive polar materials of the nanoshells. Resolution of Laplace's equation in bispherical coordinates for the potentials derived from the interface vibration modes is made. By imposing the usual electrostatic boundary conditions at the surfaces of the two-nanoshell system, recursion relations for the coefficients appearing in the potentials are obtained, which entails infinite matrices. The problem of deriving the interface frequencies is reduced to the eigenvalue problem on infinite matrices. A truncating method for these matrices is used to obtain the interface phonon branches. Dependences of the interface frequencies on the ratio of inter-nanoshell separation to core size are obtained for different systems with several values of nanoshell interdistance. Effects due to the change of shell and embedding materials are also investigated in interface phonon modes.

  13. SURFACE PHONONS IN THE ORDERED c(2 × 2) PHASE OF Pd ON Au(100)

    NASA Astrophysics Data System (ADS)

    Chadli, R.; Khater, A.; Tigrine, R.

    2013-03-01

    The vibrational properties of the Au(100)-c(2 × 2)-Pd ordered phase, which is a stable system in the temperature range of 500 K to 600 K, are presented. This surface alloy is formed by depositing Pd atoms onto the Au(100) surface, and annealing at higher temperatures. The equilibrium structural characteristics, phonon dispersions as well as the local density of phonon states are calculated using the matching theory associated with Green's function formalism evaluated in the harmonic approximation. New surface modes have been found on the ordered metallic surface alloy along the three directions of high symmetry /line{Γ X}, /line{XM}, and /line{MΓ }, in comparison with the clean surface Au(100). Three of them are observed above the bulk bands spectrum.

  14. Dominant phonon polarization conversion across dimensionally mismatched interfaces: Carbon-nanotube-graphene junction

    NASA Astrophysics Data System (ADS)

    Shi, Jingjing; Lee, Jonghoon; Dong, Yalin; Roy, Ajit; Fisher, Timothy S.; Ruan, Xiulin

    2018-04-01

    Dimensionally mismatched interfaces are emerging for thermal management applications, but thermal transport physics remains poorly understood. Here we consider the carbon-nanotube-graphene junction, which is a dimensionally mismatched interface between one- and two-dimensional materials and is the building block for carbon-nanotube (CNT)-graphene three-dimensional networks. We predict the transmission function of individual phonon modes using the wave packet method; surprisingly, most incident phonon modes show predominantly polarization conversion behavior. For instance, longitudinal acoustic (LA) polarizations incident from CNTs transmit mainly into flexural transverse (ZA) polarizations in graphene. The frequency stays the same as the incident mode, indicating elastic transmission. Polarization conversion is more significant as the phonon wavelength increases. We attribute such unique phonon polarization conversion behavior to the dimensional mismatch across the interface, and it opens significantly new phonon transport channels as compared to existing theories where polarization conversion is neglected.

  15. Phonon interference control of atomic-scale metamirrors, meta-absorbers, and heat transfer through crystal interfaces

    NASA Astrophysics Data System (ADS)

    Kosevich, Yu. A.; Potyomina, L. G.; Darinskii, A. N.; Strelnikov, I. A.

    2018-03-01

    The paper theoretically studies the possibility of using the effects of phonon interference between paths through different interatomic bonds for the control of phonon heat transfer through internal crystal interfaces and for the design of phonon metamirrors and meta-absorbers. These metamirrors and meta-absorbers are considered to be defect nanolayers of atomic-scale thicknesses embedded in a crystal. Several analytically solvable three-dimensional lattice-dynamics models of the phonon metamirrors and meta-absorbers at the internal crystal planes are described. It is shown that due to destructive interference in the two or more phonon paths, the internal crystal planes, fully or partially filled with weakly bound or heavy-isotope defect atoms, can completely reflect or completely absorb phonons at the transmission antiresonances, whose wavelengths are larger than the effective thickness of the metamirror or meta-absorber. Due to cooperative superradiant effect, the spectral widths of the two-path interference antiresonances for the plane waves are given by the square of partial filling fraction in the defect crystal plane. Our analysis reveals that the presence of two or more phonon paths plays the dominant role in the emergence of the transmission antiresonances in phonon scattering at the defect crystal planes and in reduction of the thermal interface conductance in comparison with the Fano-resonance concept. We study analytically phonon transmission through internal crystal plane in a model cubic lattice of Si-like atoms, partially filled with Ge-like defect atoms. Such a plane can serve as interference phonon metamirror with the transmission antiresonances in the vicinities of eigenmode frequencies of Ge-like defect atoms in the terahertz frequency range. We predict the extraordinary phonon transmission induced by the two-path constructive interference of the lattice waves in resonance with the vibrations of rare host atoms, periodically distributed in the

  16. Super-resolution imaging based on the temperature-dependent electron-phonon collision frequency effect of metal thin films

    NASA Astrophysics Data System (ADS)

    Ding, Chenliang; Wei, Jingsong; Xiao, Mufei

    2018-05-01

    We herein propose a far-field super-resolution imaging with metal thin films based on the temperature-dependent electron-phonon collision frequency effect. In the proposed method, neither fluorescence labeling nor any special properties are required for the samples. The 100 nm lands and 200 nm grooves on the Blu-ray disk substrates were clearly resolved and imaged through a laser scanning microscope of wavelength 405 nm. The spot size was approximately 0.80 μm , and the imaging resolution of 1/8 of the laser spot size was experimentally obtained. This work can be applied to the far-field super-resolution imaging of samples with neither fluorescence labeling nor any special properties.

  17. Designing Phononic Crystals with Wide and Robust Band Gaps

    NASA Astrophysics Data System (ADS)

    Jia, Zian; Chen, Yanyu; Yang, Haoxiang; Wang, Lifeng

    2018-04-01

    Phononic crystals (PnCs) engineered to manipulate and control the propagation of mechanical waves have enabled the design of a range of novel devices, such as waveguides, frequency modulators, and acoustic cloaks, for which wide and robust phononic band gaps are highly preferable. While numerous PnCs have been designed in recent decades, to the best of our knowledge, PnCs that possess simultaneous wide and robust band gaps (to randomness and deformations) have not yet been reported. Here, we demonstrate that by combining the band-gap formation mechanisms of Bragg scattering and local resonances (the latter one is dominating), PnCs with wide and robust phononic band gaps can be established. The robustness of the phononic band gaps are then discussed from two aspects: robustness to geometric randomness (manufacture defects) and robustness to deformations (mechanical stimuli). Analytical formulations further predict the optimal design parameters, and an uncertainty analysis quantifies the randomness effect of each designing parameter. Moreover, we show that the deformation robustness originates from a local resonance-dominant mechanism together with the suppression of structural instability. Importantly, the proposed PnCs require only a small number of layers of elements (three unit cells) to obtain broad, robust, and strong attenuation bands, which offer great potential in designing flexible and deformable phononic devices.

  18. Relative merits of phononics vs. plasmonics: the energy balance approach

    NASA Astrophysics Data System (ADS)

    Khurgin, Jacob B.

    2018-01-01

    The common feature of various plasmonic schemes is their ability to confine optical fields of surface plasmon polaritons (SPPs) into subwavelength volumes and thus achieve a large enhancement of linear and nonlinear optical properties. This ability, however, is severely limited by the large ohmic loss inherent to even the best of metals. However, in the mid- and far-infrared ranges of the spectrum, there exists a viable alternative to metals - polar dielectrics and semiconductors, in which dielectric permittivity (the real part) turns negative in the Reststrahlen region. This feature engenders the so-called surface phonon polaritons, capable of confining the field in a way akin to their plasmonic analogs, the SPPs. Since the damping rate of polar phonons is substantially less than that of free electrons, it is not unreasonable to expect that phononic devices may outperform their plasmonic counterparts. Yet a more rigorous analysis of the comparative merits of phononics and plasmonics reveals a more nuanced answer, namely, that while phononic schemes do exhibit narrower resonances and can achieve a very high degree of energy concentration, most of the energy is contained in the form of lattice vibrations so that enhancement of the electric field and, hence, the Purcell factor is rather small compared to what can be achieved with metal nanoantennas. Still, the sheer narrowness of phononic resonances is expected to make phononics viable in applications where frequency selectivity is important.

  19. Observation of chiral phonons.

    PubMed

    Zhu, Hanyu; Yi, Jun; Li, Ming-Yang; Xiao, Jun; Zhang, Lifa; Yang, Chih-Wen; Kaindl, Robert A; Li, Lain-Jong; Wang, Yuan; Zhang, Xiang

    2018-02-02

    Chirality reveals symmetry breaking of the fundamental interaction of elementary particles. In condensed matter, for example, the chirality of electrons governs many unconventional transport phenomena such as the quantum Hall effect. Here we show that phonons can exhibit intrinsic chirality in monolayer tungsten diselenide. The broken inversion symmetry of the lattice lifts the degeneracy of clockwise and counterclockwise phonon modes at the corners of the Brillouin zone. We identified the phonons by the intervalley transfer of holes through hole-phonon interactions during the indirect infrared absorption, and we confirmed their chirality by the infrared circular dichroism arising from pseudoangular momentum conservation. The chiral phonons are important for electron-phonon coupling in solids, phonon-driven topological states, and energy-efficient information processing. Copyright © 2018 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.

  20. Phonon mediated tunneling into graphene

    NASA Astrophysics Data System (ADS)

    Wehling, Tim; Grigorenko, Ilya; Lichtenstein, Alexander; Balatsky, Alexander

    2009-03-01

    Recent scanning tunneling spectroscopy experiments [V. W. Brar et al., Appl. Phys. Lett. 91, 122102 (2007); Y. Zhang et al., Nature Phys. 4, 627 (2008)] on graphene reported an unexpected gap of about ±60,eV around the Fermi level. Here, we give a theoretical investigation explaining the experimentally observed spectra and confirming the phonon mediated tunneling as the reason for the gap: We study the real space properties of the wave functions involved in the tunneling process by means of ab-initio theory and present a model for the electron-phonon interaction, which couples the graphene's Dirac electrons with quasi free electron states at the Brillouin zone center. The self-energy associated with this electron-phonon interaction is calculated and its effects on tunneling into graphene are discussed. In particular, good agreement of the tunneling density of states within our model and the experimental dI/dU spectra is found.

  1. Phonon thermal conductivity of monolayer MoS{sub 2}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wang, Xiaonan; Tabarraei, Alireza, E-mail: atabarra@uncc.edu

    We use nonequilibrium molecular dynamics modeling using Stillinger–Weber interatomic potential to investigate the thermal properties of monolayer molybdenum disulfide (MoS{sub 2}) nanoribbons. We study the impact of factors such as length, edge chirality, monovacancies, and uniaxial stretching on the thermal conductivity of MoS{sub 2} nanoribbons. Our results show that longer ribbons have a higher thermal conductivity, and the thermal conductivity of infinitely long zigzag and armchair MoS{sub 2} nanoribbons is, respectively, 54 W/mK and 33 W/mK. This is significantly lower than the thermal conductivity of some other graphene-like two-dimensional materials such as graphene and boron nitride. While the presence of molybdenum ormore » sulfur vacancies reduces the thermal conductivity of ribbons, molybdenum vacancies have a more deteriorating effect on thermal conductivities. We also have studied the impact of uniaxial stretching on the thermal conductivity of MoS{sub 2} nanoribbons. The results show that in contrast to three dimensional materials, thermal conductivity of MoS{sub 2} is fairly insensitive to stretching. We have used the phonon dispersion curves and group velocities to investigate the mechanism of this unexpected behavior. Our results show that tensile strain does not alter the phonon dispersion curves and hence the thermal conductivity does not change.« less

  2. Phonons in a magnetized Coulomb crystal of ions with polarizable electron background

    NASA Astrophysics Data System (ADS)

    Baiko, D. A.; Kozhberov, A. A.

    2017-11-01

    We have studied phonon modes of a body-centered cubic (bcc) Coulomb crystal of ions in the presence of a uniform magnetic field B taking into account the polarizability of the electron background (electron screening) described by the Thomas-Fermi formalism. For k ≫κTF (k and κTF are the phonon wavevector and Thomas-Fermi wavenumber, respectively), electron polarizability is not important. At k ≪κTF , the electron response results in a pronounced effect. One of the three available modes is acoustic. For orthogonal propagation ( k ⊥B ), its frequency Ω is independent of B and κTF . For k ∥B , Ω∝1 /κTF and is independent of B. Another mode is quadratic. Its frequency is ∝1 /(B κTF) for orthogonal propagation and ∝1 /B and independent of κTF for the parallel case. The third mode is optic with Ω≈ωB ( ωB is the ion cyclotron frequency). A general expression is derived for the dynamic matrix of a Coulomb crystal with a polarizable background and more than one ion in the primitive cell. It is employed for a study of a magnetized hexagonal close-packed Coulomb crystal. We have also presented an analysis of phonon polarization vectors in a magnetized bcc crystal with or without screening. The results obtained can be used for realistic calculations of electron-phonon scattering rates and electron thermal and electrical conductivities in neutron star crusts.

  3. Band gap structures for 2D phononic crystals with composite scatterer

    NASA Astrophysics Data System (ADS)

    Qi, Xiao-qiao; Li, Tuan-jie; Zhang, Jia-long; Zhang, Zhen; Tang, Ya-qiong

    2018-05-01

    We investigated the band gap structures in two-dimensional phononic crystals with composite scatterer. The composite scatterers are composed of two materials (Bragg scattering type) or three materials (locally resonance type). The finite element method is used to calculate the band gap structure, eigenmodes and transmission spectrum. The variation of the location and width of band gap are also investigated as a function of material ratio in the scatterer. We have found that the change trends the widest band gap of the two phononic crystals are different as the material ratio changing. In addition to this, there are three complete band gaps at most for the Bragg-scattering-type phononic crystals in the first six bands; however, the locally resonance-type phononic crystals exist only two complete band gap at most in the first six bands. The gap-tuning effect can be controlled by the material ratio in the scatterer.

  4. Electron–phonon coupling in hybrid lead halide perovskites

    PubMed Central

    Wright, Adam D.; Verdi, Carla; Milot, Rebecca L.; Eperon, Giles E.; Pérez-Osorio, Miguel A.; Snaith, Henry J.; Giustino, Feliciano; Johnston, Michael B.; Herz, Laura M.

    2016-01-01

    Phonon scattering limits charge-carrier mobilities and governs emission line broadening in hybrid metal halide perovskites. Establishing how charge carriers interact with phonons in these materials is therefore essential for the development of high-efficiency perovskite photovoltaics and low-cost lasers. Here we investigate the temperature dependence of emission line broadening in the four commonly studied formamidinium and methylammonium perovskites, HC(NH2)2PbI3, HC(NH2)2PbBr3, CH3NH3PbI3 and CH3NH3PbBr3, and discover that scattering from longitudinal optical phonons via the Fröhlich interaction is the dominant source of electron–phonon coupling near room temperature, with scattering off acoustic phonons negligible. We determine energies for the interacting longitudinal optical phonon modes to be 11.5 and 15.3 meV, and Fröhlich coupling constants of ∼40 and 60 meV for the lead iodide and bromide perovskites, respectively. Our findings correlate well with first-principles calculations based on many-body perturbation theory, which underlines the suitability of an electronic band-structure picture for describing charge carriers in hybrid perovskites. PMID:27225329

  5. Polar phonons in β-Ga2O3 studied by IR reflectance spectroscopy and first-principle calculations

    NASA Astrophysics Data System (ADS)

    Azuhata, Takashi; Shimada, Kazuhiro

    2017-08-01

    IR reflectance spectra of β-Ga2O3 are measured in the range from 400 to 1100 cm-1 using the (\\bar{2}01) and (010) planes for pure transverse Au- and Bu-mode phonons, respectively. The spectra measured using the (010) plane depend remarkably on the polarization direction of the incident light because of the monoclinic symmetry. Reflectance spectra simulated using parameters obtained from first-principle calculations are in good agreement with the experimental spectra. By adjusting the calculated phonon parameters so as to reproduce the experimental spectra, the polar phonon parameters were determined for six modes above 400 cm-1.

  6. Tunable phonon-induced transparency in bilayer graphene nanoribbons.

    PubMed

    Yan, Hugen; Low, Tony; Guinea, Francisco; Xia, Fengnian; Avouris, Phaedon

    2014-08-13

    In the phenomenon of plasmon-induced transparency, which is a classical analogue of electromagnetically induced transparency (EIT) in atomic gases, the coherent interference between two plasmon modes results in an optical transparency window in a broad absorption spectrum. With the requirement of contrasting lifetimes, typically one of the plasmon modes involved is a dark mode that has limited coupling to the electromagnetic radiation and possesses relatively longer lifetime. Plasmon-induced transparency not only leads to light transmission at otherwise opaque frequency regions but also results in the slowing of light group velocity and enhanced optical nonlinearity. In this article, we report an analogous behavior, denoted as phonon-induced transparency (PIT), in AB-stacked bilayer graphene nanoribbons. Here, light absorption due to the plasmon excitation is suppressed in a narrow window due to the coupling with the infrared active Γ-point optical phonon, whose function here is similar to that of the dark plasmon mode in the plasmon-induced transparency. We further show that PIT in bilayer graphene is actively tunable by electrostatic gating and estimate a maximum slow light factor of around 500 at the phonon frequency of 1580 cm(-1), based on the measured spectra. Our demonstration opens an avenue for the exploration of few-photon nonlinear optics and slow light in this novel two-dimensional material.

  7. Multicoaxial cylindrical inclusions in locally resonant phononic crystals

    NASA Astrophysics Data System (ADS)

    Larabi, H.; Pennec, Y.; Djafari-Rouhani, B.; Vasseur, J. O.

    2007-06-01

    It is known that the transmission spectrum of the so-called locally resonant phononic crystal can exhibit absolute sharp dips in the sonic frequency range due to the resonance scattering of elastic waves. In this paper, we study theoretically, using a finite difference time domain method, the propagation of acoustic waves through a two-dimensional locally resonant crystal in which the matrix is a fluid (such as water) instead of being a solid as in most of the previous papers. The transmission is shown to be dependent upon the fluid or solid nature of the matrix as well as upon the nature of the coating material in contact with the matrix. The other main purpose of this paper is to consider inclusions constituted by coaxial cylindrical multilayers consisting of several alternate shells of a soft material (such as a soft rubber) and a hard material (such as steel). With respect to the usual case of a hard core coated with a soft rubber, the transmission spectrum can exhibit in the same frequency range several peaks instead of one. If two or more phononic crystals are associated together, we find that the structure displays all the zeros of transmission resulting from each individual crystal. Moreover, we show that it is possible to overlap the dips by an appropriate combination of phononic crystals and create a larger acoustic stop band.

  8. Identification of the one-quadrupole phonon 2 1 , m s + state of 204Hg

    DOE PAGES

    Stegmann, R.; Stahl, C.; Rainovski, G.; ...

    2017-04-19

    One-phonon states of vibrational nuclei with mixed proton–neutron symmetry have been observed throughout the nuclear chart besides the mass A ≈ 200 region. Very recently, it has been proposed that the 2 + 2 state of 212Po is of isovector nature. This nucleus has two valence protons and two valence neutrons outside the doubly-magic 208Pb nucleus. The stable isotope 204Hg, featuring two valence-proton and valence-neutron holes, with respect to 208Pb, is the particle-hole mirror of 212Po. In order to compare the properties of low-lying isovector excitations in these particle-hole mirror nuclei, we have studied 204Hg by using the projectile Coulomb-excitationmore » technique. The measured absolute B( M1;2 + 22 + 1) strength of 0.20 (2) μ 2 N indicates that the 2 + 2 level of 204Hg is at least the main fragment of the 2 + 1,ms state. For the first time in this mass region, both lowest-lying, one-quadrupole phonon excitations are established together with the complete set of their decay strengths. In conclusion, this allows for a microscopic description of their structures, achieved in the framework of the Quasi-particle Phonon Model.« less

  9. Effect of polarization field on mean free path of phonons in indium nitride

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sahoo, Sushant Kumar

    2016-05-06

    The effect of built-in-polarization field on mean free path of acoustic phonons in bulk wurtzite indium nitride (InN) has been theoretically investigated. The elastic constant of the material gets modified due to the existence of polarization field. As a result velocity and Debye frequency of phonons get enhanced. The various scattering rates of phonons are suppressed by the effect of polarization field, which implies an enhanced combined relaxation time. Thus phonons travel freely for a longer distance between two successive scatterings. This would enhance the thermal transport properties of the material when built-in-polarization field taken into account. Hence by themore » application of electric field the transport properties of such materials can be controlled as and when desired.« less

  10. Rainbow trapping of ultrasonic guided waves in chirped phononic crystal plates

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Tian, Zhenhua; Yu, Lingyu

    The rainbow trapping effect has been demonstrated in electromagnetic and acoustic waves. In this study, rainbow trapping of ultrasonic guided waves is achieved in chirped phononic crystal plates that spatially modulate the dispersion, group velocity, and stopband. The rainbow trapping is related to the progressively slowing group velocity, and the extremely low group velocity near the lower boundary of a stopband that gradually varies in chirped phononic crystal plates. As guided waves propagate along the phononic crystal plate, waves gradually slow down and finally stop forward propagating. The energy of guided waves is concentrated at the low velocity region nearmore » the stopband. Moreover, the guided wave energy of different frequencies is concentrated at different locations, which manifests as rainbow guided waves. We believe implementing the rainbow trapping will open new paradigms for guiding and focusing of guided waves. Furthermore, the rainbow guided waves with energy concentration and spatial separation of frequencies may have potential applications in nondestructive evaluation, spatial wave filtering, energy harvesting, and acoustofluidics.« less

  11. Rainbow trapping of ultrasonic guided waves in chirped phononic crystal plates

    DOE PAGES

    Tian, Zhenhua; Yu, Lingyu

    2017-01-05

    The rainbow trapping effect has been demonstrated in electromagnetic and acoustic waves. In this study, rainbow trapping of ultrasonic guided waves is achieved in chirped phononic crystal plates that spatially modulate the dispersion, group velocity, and stopband. The rainbow trapping is related to the progressively slowing group velocity, and the extremely low group velocity near the lower boundary of a stopband that gradually varies in chirped phononic crystal plates. As guided waves propagate along the phononic crystal plate, waves gradually slow down and finally stop forward propagating. The energy of guided waves is concentrated at the low velocity region nearmore » the stopband. Moreover, the guided wave energy of different frequencies is concentrated at different locations, which manifests as rainbow guided waves. We believe implementing the rainbow trapping will open new paradigms for guiding and focusing of guided waves. Furthermore, the rainbow guided waves with energy concentration and spatial separation of frequencies may have potential applications in nondestructive evaluation, spatial wave filtering, energy harvesting, and acoustofluidics.« less

  12. Four-phonon scattering reduces intrinsic thermal conductivity of graphene and the contributions from flexural phonons

    NASA Astrophysics Data System (ADS)

    Feng, Tianli; Ruan, Xiulin

    2018-01-01

    We have developed a formalism of the exact solution to linearized phonon Boltzmann transport equation (BTE) for thermal conductivity calculation including three- and four-phonon scattering. We find strikingly high four-phonon scattering rates in single-layer graphene (SLG) based on the optimized Tersoff potential. The reflection symmetry in graphene, which forbids the three-ZA (out-of-plane acoustic) scattering, allows the four-ZA processes ZA +ZA ⇌ZA +ZA and ZA ⇌ZA +ZA + ZA. As a result, the large phonon population of the low-energy ZA branch originated from the quadratic phonon dispersion leads to high four-phonon scattering rates, even much higher than the three-phonon scattering rates at room temperature. These four-phonon processes are dominated by the normal processes, which lead to a failure of the single mode relaxation time approximation. Therefore, we have solved the exact phonon BTE using an iterative scheme and then calculated the length- and temperature-dependent thermal conductivities. We find that the predicted thermal conductivity of SLG is lower than the previously predicted value from the three-phonon scattering only. The relative contribution of the ZA branch is reduced from 70% to 30% when four-phonon scattering is included. Furthermore, we have demonstrated that the four-phonon scattering in multilayer graphene and graphite is not strong due to the ZA splitting by interlayer van der Waals interaction. We also demonstrate that the five-phonon process in SLG is not strong due to the restriction of reflection symmetry.

  13. Isotopic effects on phonon anharmonicity in layered van der Waals crystals: Isotopically pure hexagonal boron nitride

    NASA Astrophysics Data System (ADS)

    Cuscó, Ramon; Artús, Luis; Edgar, James H.; Liu, Song; Cassabois, Guillaume; Gil, Bernard

    2018-04-01

    Hexagonal boron nitride (h -BN) is a layered crystal that is attracting a great deal of attention as a promising material for nanophotonic applications. The strong optical anisotropy of this crystal is key to exploit polaritonic modes for manipulating light-matter interactions in 2D materials. h -BN has also great potential for solid-state neutron detection and neutron imaging devices, given the exceptionally high thermal neutron capture cross section of the boron-10 isotope. A good knowledge of phonons in layered crystals is essential for harnessing long-lived phonon-polariton modes for nanophotonic applications and may prove valuable for developing solid-state 10BN neutron detectors with improved device architectures and higher detection efficiencies. Although phonons in graphene and isoelectronic materials with a similar hexagonal layer structure have been studied, the effect of isotopic substitution on the phonons of such lamellar compounds has not been addressed yet. Here we present a Raman scattering study of the in-plane high-energy Raman active mode on isotopically enriched single-crystal h -BN. Phonon frequency and lifetime are measured in the 80-600-K temperature range for 10B-enriched, 11B-enriched, and natural composition high quality crystals. Their temperature dependence is explained in the light of perturbation theory calculations of the phonon self-energy. The effects of crystal anisotropy, isotopic disorder, and anharmonic phonon-decay channels are investigated in detail. The isotopic-induced changes in the phonon density of states are shown to enhance three-phonon anharmonic decay channels in 10B-enriched crystals, opening the possibility of isotope tuning of the anharmonic phonon decay processes.

  14. Phonon-Mediated Exciton Stark Effect Enhanced by a Static Electric Field

    NASA Astrophysics Data System (ADS)

    Ivanov, A. L.

    1997-03-01

    The optical properties of semiconductor QW's change in the presence of coherent pump light. The exciton (phonon-mediated, biexciton-mediated, etc.) optical Stark effect is an effective shift of the exciton level that follow dynamically the intensity I0 ~= 0.1 div 1 GW/cm^2 of the pump light. In the present work we develop a theory of a low-intensity electric-field enhanced phonon-mediated optical Stark effect in polar semiconductors and semiconductor microstructures. The main point is that the exciton - LO-phonon Fröhlich interaction can be strongly enhanced by a (quasi-) static electric field F which polarizes the exciton in the geometry F | k | p, where k and p are the wavevectors of the pump and probe light, respectively. The electric field enhancement of spontaneous Raman scattering has been already analyzed (E. Burstein et al., 1971). Even a moderate electric field F ~= 10^3 V/cm reduces the intensity of the pump light to I0 ~= 1 div 10 MW/cm^2. Moreover, the phonon-mediated Stark effect enhanced by a static electric field F allow us to realize the both red and blue dynamical shifts of the exciton level.

  15. Coupling of phonons with excitons bound to different donors and acceptors in hexagonal GaN

    NASA Astrophysics Data System (ADS)

    Korona, K. P.; Wysmoek, A.; Kuhl, J.; Kamiska, M.; Baranowski, J. M.; Look, D. C.; Park, S. S.

    2006-06-01

    Time-resolved measurements of GaN with different donors (oxygen or silicon) and acceptors (zinc or magnesium) showed pronounced bound exciton lines and their phonon replicas. The analysis included three phonon modes characteristic for the wurtzite (hexagonal) phase: A1(LO), E1(TO) and E2H. It was shown that relative amplitudes of replicas depended upon the chemical nature of the defects that the bind excitons. The replicas were stronger for acceptor- than for donor-related features. Huang-Rhys factors S = 0.06 +/- 0.02 and S = 0.025 +/- 0.01, were found for the A0X and the D0X LO replicas, respectively. A significant difference in phonon coupling to silicon and oxygen donor bound excitons has been observed.

  16. Phonon group velocity and thermal conduction in superlattices

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Tamura, S.; Tanaka, Y.; Maris, H.J.

    1999-07-01

    With the use of a face-centered cubic model of lattice dynamics we calculate the group velocity of acoustic phonons in the growth direction of periodic superlattices. Comparing with the case of bulk solids, this component of the phonon group velocity is reduced due to the flattening of the dispersion curves associated with Brillouin-zone folding. The results are used to estimate semiquantitatively the effects on the lattice thermal conductivity in Si/Ge and GaAs/AlAs superlattices. For a Si/Ge superlattice an order of magnitude reduction is predicted in the ratio of superlattice thermal conductivity to phonon relaxation time [consistent with the results ofmore » P. Hyldgaard and G. D. Mahan, Phys. Rev. B {bold 56}, 10&hthinsp;754 (1997)]. For a GaAs/AlAs superlattice the corresponding reduction is rather small, i.e., a factor of 2{endash}3. These effects are larger for the superlattices with larger unit period, contrary to the recent measurements of thermal conductivity in superlattices. {copyright} {ital 1999} {ital The American Physical Society}« less

  17. Hydrodynamic phonon drift and second sound in a (20,20) single-wall carbon nanotube

    NASA Astrophysics Data System (ADS)

    Lee, Sangyeop; Lindsay, Lucas

    2017-05-01

    Two hydrodynamic features of phonon transport, phonon drift and second sound, in a (20,20) single-wall carbon nanotube (SWCNT) are discussed using lattice dynamics calculations employing an optimized Tersoff potential for atomic interactions. We formally derive a formula for the contribution of drift motion of phonons to total heat flux at steady state. It is found that the drift motion of phonons carries more than 70 % and 90 % of heat at 300 and 100 K, respectively, indicating that phonon flow can be reasonably approximated as hydrodynamic if the SWCNT is long enough to avoid ballistic phonon transport. The dispersion relation of second sound is derived from the Peierls-Boltzmann transport equation with Callaway's scattering model and quantifies the speed of second sound and its relaxation. The speed of second sound is around 4000 m/s in a (20,20) SWCNT and the second sound can propagate more than 10 µm in an isotopically pure (20,20) SWCNT for frequency around 1 GHz at 100 K.

  18. Zero-phonon line and fine structure of the yellow luminescence band in GaN

    NASA Astrophysics Data System (ADS)

    Reshchikov, M. A.; McNamara, J. D.; Zhang, F.; Monavarian, M.; Usikov, A.; Helava, H.; Makarov, Yu.; Morkoç, H.

    2016-07-01

    The yellow luminescence band was studied in undoped and Si-doped GaN samples by steady-state and time-resolved photoluminescence. At low temperature (18 K), the zero-phonon line (ZPL) for the yellow band is observed at 2.57 eV and attributed to electron transitions from a shallow donor to a deep-level defect. At higher temperatures, the ZPL at 2.59 eV emerges, which is attributed to electron transitions from the conduction band to the same defect. In addition to the ZPL, a set of phonon replicas is observed, which is caused by the emission of phonons with energies of 39.5 meV and 91.5 meV. The defect is called the YL1 center. The possible identity of the YL1 center is discussed. The results indicate that the same defect is responsible for the strong YL1 band in undoped and Si-doped GaN samples.

  19. Phonon optimized interatomic potential for aluminum

    NASA Astrophysics Data System (ADS)

    Muraleedharan, Murali Gopal; Rohskopf, Andrew; Yang, Vigor; Henry, Asegun

    2017-12-01

    We address the problem of generating a phonon optimized interatomic potential (POP) for aluminum. The POP methodology, which has already been shown to work for semiconductors such as silicon and germanium, uses an evolutionary strategy based on a genetic algorithm (GA) to optimize the free parameters in an empirical interatomic potential (EIP). For aluminum, we used the Vashishta functional form. The training data set was generated ab initio, consisting of forces, energy vs. volume, stresses, and harmonic and cubic force constants obtained from density functional theory (DFT) calculations. Existing potentials for aluminum, such as the embedded atom method (EAM) and charge-optimized many-body (COMB3) potential, show larger errors when the EIP forces are compared with those predicted by DFT, and thus they are not particularly well suited for reproducing phonon properties. Using a comprehensive Vashishta functional form, which involves short and long-ranged interactions, as well as three-body terms, we were able to better capture interactions that reproduce phonon properties accurately. Furthermore, the Vashishta potential is flexible enough to be extended to Al2O3 and the interface between Al-Al2O3, which is technologically important for combustion of solid Al nano powders. The POP developed here is tested for accuracy by comparing phonon thermal conductivity accumulation plots, density of states, and dispersion relations with DFT results. It is shown to perform well in molecular dynamics (MD) simulations as well, where the phonon thermal conductivity is calculated via the Green-Kubo relation. The results are within 10% of the values obtained by solving the Boltzmann transport equation (BTE), employing Fermi's Golden Rule to predict the phonon-phonon relaxation times.

  20. Giant plasmonic mode splitting in THz metamaterials mediated by coupling with Lorentz phonon mode

    NASA Astrophysics Data System (ADS)

    Yu, Leilei; Huang, Yuanyuan; Liu, Changji; Hu, Fangrong; Jin, Yanping; Yan, Yi; Xu, Xinlong

    2018-04-01

    Giant plasmonic mode splitting has been observed in THz metamaterials due to the mediation by the Lorentz phonon dielectric material. This splitting mode is confirmed by the surface current distribution, indicating that plasmonic modes behave like dipole resonances, while the phonon mode behaves like multipole resonance due to coupling. The splitting of the plasmonic modes demonstrates an anti-crossing behavior with the change in Lorentz central frequency, which suggests that there is energy redistribution between plasmon and phonon modes. Similar to the Stark effect, the splitting frequency difference increases with the increasing direct current dielectric function. We also propose an interaction Hamiltonian to understand the physical mechanism of the plasmonic splitting. Furthermore, the splitting is convincible for small Lorentz dielectrics such as sugar and amino acid in the THz region, which could be used for biomolecular sensing applications.

  1. Phase analysis of coherent radial-breathing-mode phonons in carbon nanotubes: Implications for generation and detection processes

    NASA Astrophysics Data System (ADS)

    Shimura, Akihiko; Yanagi, Kazuhiro; Yoshizawa, Masayuki

    2018-01-01

    In time-resolved pump-probe spectroscopy of carbon nanotubes, the fundamental understanding of the optical generation and detection processes of radial-breathing-mode (RBM) phonons has been inconsistent among the previous reports. In this study, the tunable-pumping/broadband-probing scheme was used to fully reveal the amplitude and phase of the phonon-modulated signals. We observed that signals detected off resonantly to excitonic transitions are delayed by π /2 radians with respect to resonantly detected signals, which demonstrates that RBM phonons are detected through dynamically modulating the linear response, not through adiabatically modulating the light absorption. Furthermore, we found that the initial phases are independent of the pump detuning across the first (E11) and the second (E22) excitonic resonances, evidencing that the RBM phonons are generated by the displacive excitation rather than stimulated Raman process.

  2. Designing Phononic Crystals with Wide and Robust Band Gaps

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Jia, Zian; Chen, Yanyu; Yang, Haoxiang

    Here, phononic crystals (PnCs) engineered to manipulate and control the propagation of mechanical waves have enabled the design of a range of novel devices, such as waveguides, frequency modulators, and acoustic cloaks, for which wide and robust phononic band gaps are highly preferable. While numerous PnCs have been designed in recent decades, to the best of our knowledge, PnCs that possess simultaneous wide and robust band gaps (to randomness and deformations) have not yet been reported. Here, we demonstrate that by combining the band-gap formation mechanisms of Bragg scattering and local resonances (the latter one is dominating), PnCs with widemore » and robust phononic band gaps can be established. The robustness of the phononic band gaps are then discussed from two aspects: robustness to geometric randomness (manufacture defects) and robustness to deformations (mechanical stimuli). Analytical formulations further predict the optimal design parameters, and an uncertainty analysis quantifies the randomness effect of each designing parameter. Moreover, we show that the deformation robustness originates from a local resonance-dominant mechanism together with the suppression of structural instability. Importantly, the proposed PnCs require only a small number of layers of elements (three unit cells) to obtain broad, robust, and strong attenuation bands, which offer great potential in designing flexible and deformable phononic devices.« less

  3. Designing Phononic Crystals with Wide and Robust Band Gaps

    DOE PAGES

    Jia, Zian; Chen, Yanyu; Yang, Haoxiang; ...

    2018-04-16

    Here, phononic crystals (PnCs) engineered to manipulate and control the propagation of mechanical waves have enabled the design of a range of novel devices, such as waveguides, frequency modulators, and acoustic cloaks, for which wide and robust phononic band gaps are highly preferable. While numerous PnCs have been designed in recent decades, to the best of our knowledge, PnCs that possess simultaneous wide and robust band gaps (to randomness and deformations) have not yet been reported. Here, we demonstrate that by combining the band-gap formation mechanisms of Bragg scattering and local resonances (the latter one is dominating), PnCs with widemore » and robust phononic band gaps can be established. The robustness of the phononic band gaps are then discussed from two aspects: robustness to geometric randomness (manufacture defects) and robustness to deformations (mechanical stimuli). Analytical formulations further predict the optimal design parameters, and an uncertainty analysis quantifies the randomness effect of each designing parameter. Moreover, we show that the deformation robustness originates from a local resonance-dominant mechanism together with the suppression of structural instability. Importantly, the proposed PnCs require only a small number of layers of elements (three unit cells) to obtain broad, robust, and strong attenuation bands, which offer great potential in designing flexible and deformable phononic devices.« less

  4. Effect of magnon-phonon interactions on magnon squeezed states in ferromagnets

    NASA Astrophysics Data System (ADS)

    Mikhail, I. F. I.; Ismail, I. M. M.; Ameen, M.

    2018-02-01

    The squeezed states of dressed magnons in ferromagnets have been investigated. No effective Debye cutoff frequency has been assumed unlike what has been done hitherto. Instead, the results have been expressed throughout in terms of the reduced temperature. The effect of dressed magnon-phonon interactions on the formulation of these states has been studied. It has been shown that the magnon-phonon interactions play a significant role in determining the squeeze factor and the variation of the dressed magnon effective mass with temperature.

  5. Phonon limited electronic transport in Pb

    NASA Astrophysics Data System (ADS)

    Rittweger, F.; Hinsche, N. F.; Mertig, I.

    2017-09-01

    We present a fully ab initio based scheme to compute electronic transport properties, i.e. the electrical conductivity σ and thermopower S, in the presence of electron-phonon interaction. We explicitly investigate the \

  6. Electron-phonon interactions in semiconductor nanostructures

    NASA Astrophysics Data System (ADS)

    Yu, Segi

    In this dissertation, electron-phonon interactions are studied theoretically in semiconductor nanoscale heterostructures. Interactions of electrons with interface optical phonons dominate over other electron-phonon interactions in narrow width heterostructures. Hence, a transfer matrix method is used to establish a formalism for determining the dispersion relations and electrostatic potentials of the interface phonons for multiple-interface heterostructure within the macroscopic dielectric continuum model. This method facilitates systematic calculations for complex structures where the conventional method is difficult to implement. Several specific cases are treated to illustrate advantages of the formalism. Electrophonon resonance (EPR) is studied in cylindrical quantum wires using the confined/interface optical phonons representation and bulk phonon representation. It has been found that interface phonon contribution to EPR is small compared with confined phonon. Different selection rules for bulk phonons and confined phonons result in different EPR behaviors as the radius of cylindrical wire changes. Experiment is suggested to test which phonon representation is appropriate for EPR. The effects of phonon confinement on elect ron-acoustic-phonon scattering is studied in cylindrical and rectangular quantum wires. In the macroscopic elastic continuum model, the confined-phonon dispersion relations are obtained for several crystallographic directions with free-surface and clamped-surface boundary conditions in cylindrical wires. The scattering rates due to the deformation potential are obtained for these confined phonons and are compared with those of bulk-like phonons. The results show that the inclusion of acoustic phonon confinement may be crucial for calculating accurate low-energy electron scattering rates. Furthermore, it has been found that there is a scaling rule governing the directional dependence of the scattering rates. The Hamiltonian describing the

  7. Layer-dependent second-order Raman intensity of Mo S2 and WS e2 : Influence of intervalley scattering

    NASA Astrophysics Data System (ADS)

    Qian, Qingkai; Zhang, Zhaofu; Chen, Kevin J.

    2018-04-01

    Acoustic-phonon Raman scattering, as a defect-induced second-order Raman scattering process (with incident photon scattered by one acoustic phonon at the Brillouin-zone edge and the momentum conservation fulfilled by defect scattering), is used as a sensitive tool to study the defects of transition-metal dichalcogenides (TMDs). Moreover, second-order Raman scattering processes are closely related to the valley depolarization of single-layer TMDs in potential valleytronic applications. Here, the layer dependence of second-order Raman intensity of Mo S2 and WS e2 is studied. The electronic band structures of Mo S2 and WS e2 are modified by the layer thicknesses; hence, the resonance conditions for both first-order and second-order Raman scattering processes are tuned. In contrast to the first-order Raman scattering, second-order Raman scattering of Mo S2 and WS e2 involves additional intervalley scattering of electrons by phonons with large momenta. As a result, the electron states that contribute most to the second-order Raman intensity are different from that to first-order process. A weaker layer-tuned resonance enhancement of second-order Raman intensity is observed for both Mo S2 and WS e2 . Specifically, when the incident laser has photon energy close to the optical band gap and the Raman spectra are normalized by the first-order Raman peaks, single-layer Mo S2 or WS e2 has the strongest second-order Raman intensity. This layer-dependent second-order Raman intensity can be further utilized as an indicator to identify the layer number of Mo S2 and WS e2 .

  8. Control of coherent information via on-chip photonic–phononic emitter–receivers

    DOE PAGES

    Shin, Heedeuk; Cox, Jonathan A.; Jarecki, Robert; ...

    2015-03-05

    We report that rapid progress in integrated photonics has fostered numerous chip-scale sensing, computing and signal processing technologies. However, many crucial filtering and signal delay operations are difficult to perform with all-optical devices. Unlike photons propagating at luminal speeds, GHz-acoustic phonons moving at slower velocities allow information to be stored, filtered and delayed over comparatively smaller length-scales with remarkable fidelity. Hence, controllable and efficient coupling between coherent photons and phonons enables new signal processing technologies that greatly enhance the performance and potential impact of integrated photonics. Here we demonstrate a mechanism for coherent information processing based on travelling-wave photon–phonon transduction,more » which achieves a phonon emit-and-receive process between distinct nanophotonic waveguides. Using this device, physics—which supports GHz frequencies—we create wavelength-insensitive radiofrequency photonic filters with frequency selectivity, narrow-linewidth and high power-handling in silicon. More generally, this emit-receive concept is the impetus for enabling new signal processing schemes.« less

  9. Control of coherent information via on-chip photonic–phononic emitter–receivers

    PubMed Central

    Shin, Heedeuk; Cox, Jonathan A.; Jarecki, Robert; Starbuck, Andrew; Wang, Zheng; Rakich, Peter T.

    2015-01-01

    Rapid progress in integrated photonics has fostered numerous chip-scale sensing, computing and signal processing technologies. However, many crucial filtering and signal delay operations are difficult to perform with all-optical devices. Unlike photons propagating at luminal speeds, GHz-acoustic phonons moving at slower velocities allow information to be stored, filtered and delayed over comparatively smaller length-scales with remarkable fidelity. Hence, controllable and efficient coupling between coherent photons and phonons enables new signal processing technologies that greatly enhance the performance and potential impact of integrated photonics. Here we demonstrate a mechanism for coherent information processing based on travelling-wave photon–phonon transduction, which achieves a phonon emit-and-receive process between distinct nanophotonic waveguides. Using this device, physics—which supports GHz frequencies—we create wavelength-insensitive radiofrequency photonic filters with frequency selectivity, narrow-linewidth and high power-handling in silicon. More generally, this emit-receive concept is the impetus for enabling new signal processing schemes. PMID:25740405

  10. Acoustic-optical phonon up-conversion and hot-phonon bottleneck in lead-halide perovskites

    PubMed Central

    Yang, Jianfeng; Wen, Xiaoming; Xia, Hongze; Sheng, Rui; Ma, Qingshan; Kim, Jincheol; Tapping, Patrick; Harada, Takaaki; Kee, Tak W.; Huang, Fuzhi; Cheng, Yi-Bing; Green, Martin; Ho-Baillie, Anita; Huang, Shujuan; Shrestha, Santosh; Patterson, Robert; Conibeer, Gavin

    2017-01-01

    The hot-phonon bottleneck effect in lead-halide perovskites (APbX3) prolongs the cooling period of hot charge carriers, an effect that could be used in the next-generation photovoltaics devices. Using ultrafast optical characterization and first-principle calculations, four kinds of lead-halide perovskites (A=FA+/MA+/Cs+, X=I−/Br−) are compared in this study to reveal the carrier-phonon dynamics within. Here we show a stronger phonon bottleneck effect in hybrid perovskites than in their inorganic counterparts. Compared with the caesium-based system, a 10 times slower carrier-phonon relaxation rate is observed in FAPbI3. The up-conversion of low-energy phonons is proposed to be responsible for the bottleneck effect. The presence of organic cations introduces overlapping phonon branches and facilitates the up-transition of low-energy modes. The blocking of phonon propagation associated with an ultralow thermal conductivity of the material also increases the overall up-conversion efficiency. This result also suggests a new and general method for achieving long-lived hot carriers in materials. PMID:28106061

  11. Universal exchange-driven phonon splitting

    NASA Astrophysics Data System (ADS)

    Deisenhofer, Joachim; Kant, Christian; Schmidt, Michael; Wang, Zhe; Mayr, Franz; Tsurkan, Vladimir; Loidl, Alois

    2012-02-01

    We report on a linear dependence of the phonon splitting on the non-dominant exchange coupling Jnd in the antiferromagnetic monoxides MnO, Fe0.92O, CoO and NiO, and in the highly frustrated antiferromagnetic spinels CdCr2O4, MgCr2O4 and ZnCr2O4. For the monoxides our results directly confirm the theoretical prediction of a predominantly exchange induced splitting of the zone-centre optical phonon [1,2]. We find the linear relation δφ= βJndS^2 with slope β = 3.7. This relation also holds for a very different class of systems, namely the highly frustrated chromium spinels. Our finding suggests a universal dependence of the exchange-induced phonon splitting at the antiferromagnetic transition on the non-dominant exchange coupling [3].[4pt] [1] S. Massidda et al., Phys. Rev. Lett. 82, 430 (1999).[0pt] [2] W. Luo et al., Solid State Commun. 142, 504 (2007).[0pt] [3] Ch. Kant et al., arxiv:1109.4809.

  12. Phonon Surface Scattering and Thermal Energy Distribution in Superlattices.

    PubMed

    Kothari, Kartik; Maldovan, Martin

    2017-07-17

    Thermal transport at small length scales has attracted significant attention in recent years and various experimental and theoretical methods have been developed to establish the reduced thermal conductivity. The fundamental understanding of how phonons move and the physical mechanisms behind nanoscale thermal transport, however, remains poorly understood. Here we move beyond thermal conductivity calculations and provide a rigorous and comprehensive physical description of thermal phonon transport in superlattices by solving the Boltzmann transport equation and using the Beckman-Kirchhoff surface scattering theory with shadowing to precisely describe phonon-surface interactions. We show that thermal transport in superlattices can be divided in two different heat transport modes having different physical properties at small length scales: layer-restricted and extended heat modes. We study how interface conditions, periodicity, and composition can be used to manipulate the distribution of thermal energy flow among such layer-restricted and extended heat modes. From predicted frequency and mean free path spectra of superlattices, we also investigate the existence of wave effects. The results and insights in this paper advance the fundamental understanding of heat transport in superlattices and the prospects of rationally designing thermal systems with tailored phonon transport properties.

  13. Effect of 10B isotope and vacancy defects on the phonon modes of two-dimensional hexagonal boron nitride

    NASA Astrophysics Data System (ADS)

    Sherajul Islam, Md.; Anindya, Khalid N.; Bhuiyan, Ashraful G.; Tanaka, Satoru; Makino, Takayuki; Hashimoto, Akihiro

    2018-02-01

    We report the details of the effects of the 10B isotope and those of B and N vacancies combined with the isotope on the phonon modes of two-dimensional hexagonal boron nitride (h-BN). The phonon density of states and localization problems are solved using the forced vibrational method, which is suitable for an intricate and disordered system. We observe an upward shift of Raman-active E2g-mode optical phonons (32 cm-1) for a 100% 10B isotope, which matches well with the experiment and simple harmonic oscillator model. However, a downward shift of E2g-mode phonons is observed for B or N vacancies and the combination of the isotope and vacancy-type disordered BN. Strong localized eigenmodes are found for all types of defects, and a typical localization length is on the order of ˜7 nm for naturally occurring BN samples. These results are very important for understanding the heat dissipation and electron transport properties of BN-based nanoelectronics.

  14. Ab-intio study of phonon and thermodynamic properties of Znic-blende ZnSe

    NASA Astrophysics Data System (ADS)

    Khatta, Swati; Kaur, Veerpal; Tripathi, S. K.; Prakash, Satya

    2018-04-01

    The Phonon and thermodynamic properties of ZnSe are investigated using density functional perturbation theory (DFPT) and quasi-harmonic approximation (QHA) implemented in Quantum espresso code. The phonon dispersion curve and phonon density of states of ZnSe are obtained. It is shown that high symmetries D→X and D→L directions, there are four branches of dispersion curves which split into six branches along the X→W, W→X and X→D directions. The LO-TO splitting frequencies (in cm-1) at the zone center (D point) are LO=255 and TO=215. The total and partial phonon density of states is used to compute the entropy and specific heat capacity of ZnSe. The computed values are in reasonable agreement with experimental data and other with available theoretical calculations.

  15. Electron phonon couplings in 2D perovskite probed by ultrafast photoinduced absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Huynh, Uyen; Ni, Limeng; Rao, Akshay

    We use the time-resolved photoinduced absorption (PIA) spectroscopy with 20fs time resolution to investigate the electron phonon coupling in the self-assembled hybrid organic layered perovskite, the hexyl ammonium lead iodide compound (C6H13NH3)2 (PbI4) . The coupling results in the broadening and asymmetry of its temperature-dependence photoluminescence spectra. The exact time scale of this coupling, however, wasn't reported experimentally. Here we show that using an ultrashort excitation pulse allows us to resolve from PIA kinetics the oscillation of coherent longitudinal optical phonons that relaxes and self-traps electrons to lower energy states within 200 fs. The 200fs relaxation time is equivalent to a coupling strength of 40meV. Two coupled phonon modes are also identified as about 100 cm-1 and 300 cm-1 from the FFT spectrum of the PIA kinetics. The lower energy mode is consistent with previous reports and Raman spectrum but the higher energy one hasn't been observed before.

  16. Optical phonon behavior of columbite MgNb2O6 single crystals

    NASA Astrophysics Data System (ADS)

    Xu, Dapeng; Liu, Wenqiang; Zhou, Qiang; Cui, Tian; Yuan, Hongming; Wang, Wenquan; Liu, Ying; Shi, Zhan; Li, Liang

    2014-08-01

    To explore potential applications, MgNb2O6 single crystal grown previously by optical floating zone method was used as a prototype for optical phonon behavior investigation. Polarized Raman spectra obtained in adequate parallel and crossed polarization were presented. All the obtained Raman modes were identified for the MgNb2O6, in good agreement with previous theory analysis. The selection rules of Raman for the columbite group were validated. Additionally, in-site temperature-dependent Raman spectra of MgNb2O6 were also investigated in the range from 83 to 803 K. The strong four Ag phonon modes all exhibits red shift with the temperature increasing. But thermal expansion of spectra is sectional linear with inflection points at about 373 K. And the absolute value of dω/dT at high temperature is higher than the one at lower temperature.

  17. Potential and kinetic energetic analysis of phonon modes in varied molecular solids

    NASA Astrophysics Data System (ADS)

    Kraczek, Brent

    2015-03-01

    We calculate partitioned kinetic and potential energies of the phonon modes in molecular solids to illuminate the dynamical behavior of the constituent molecules. This enables analysis of the relationship between the characteristics of sets of phonon modes, molecular structure and chemical reactivity by partitioning the kinetic energy into the translational, rotational and vibrational motions of groups of atoms (including molecules), and the potential energy into the energy contained within interatomic interactions. We consider three solids of differing size and rigidity: naphthalene (C1 0 H6), nitromethane (CH3NO2)andα-HMX(C4H8N8O8). Naphthalene and nitromethane mostly act in the semi-rigid manner often expected in molecular solids. HMX exhibits behavior that is significantly less-rigid. While there are definite correlations between the kinetic and potential energetic analyses, there are also differences, particularly in the excitation of chemical bonds by low-frequency lattice modes. This suggests that in many cases computational and experimental methods dependent on atomic displacements may not identify phonon modes active in chemical reactivity.

  18. Raman spectroscopy of KxCo2-ySe2 single crystals near the ferromagnet-paramagnet transition

    DOE PAGES

    Opacic, M.; Lazarevic, N.; Radonjic, M. M.; ...

    2016-10-05

    Polarized Raman scattering spectra of the K xCo 2-ySe 2 (x = :::; y = :::) single crystals reveal the presence of two phonon modes, assigned as of the A1g and B1g symmetry. Absence of additional modes excludes the possibility of vacancy ordering, unlike in K xCo 2-ySe 2 . The ferromagnetic (FM) phase transition at Tc 74 K leaves a clear fingerprint on the temperature dependence of the Raman mode energy and linewidth. For T > Tc the temperature dependence looks conventional, driven by the thermal expansion and anharmonicity. The Raman modes are rather broad due to the electron-phononmore » coupling increased by the disorder and spin fluctuation e ects. In the FM phase the phonon frequency of both modes increases, while an opposite trend is seen in their linewidth: the A1g mode narrows in the FM phase, whereas the B 1g mode broadens. We argue that the large asymmetry and anomalous frequency shift of the B 1g mode is due to the coupling of spin fluctuations and vibration. Our density functional theory (DFT) calculations for the phonon frequencies agree rather well with the Raman measurements, with some discrepancy being expected since the DFT calculations neglect the spin fluctuations.« less

  19. Role of low-energy phonons with mean-free-paths >0.8 μm in heat conduction in silicon

    DOE PAGES

    Jiang, Puqing; Lindsay, Lucas R.; Koh, Yee Kan

    2016-06-30

    Despite recent progress in the first-principles calculations and measurements of phonon mean-free-paths (ℓ), contribution of low-energy phonons to heat conduction in silicon is still inconclusive, as exemplified by the discrepancies as large as 30% between different first-principles calculations. In this study, we investigate the contribution of low-energy phonons with ℓ>0.8 μm by accurately measuring the cross-plane thermal conductivity (Λ cross) of crystalline silicon films by time-domain thermoreflectance (TDTR), over a wide range of film thicknesses 1≤ h f ≤ 10 μm and temperatures 100 ≤ T ≤ 300 K. We employ a dual-frequency TDTR approach to improve the accuracy ofmore » our Λ cross measurements. We find from our Λ cross measurements that phonons with ℓ>0.8 μm contribute 53 W m -1 K -1 (37%) to heat conduction in natural Si at 300 K while phonons with ℓ>3 μm contribute 523 W m -1 K -1 (61%) at 100 K, >20% lower than first-principles predictions of 68 W m -1 K -1 (47%) and 717 W m -1 K -1 (76%), respectively. Using a relaxation time approximation (RTA) model, we demonstrate that macroscopic damping (e.g., Akhieser s damping) eliminates the contribution of phonons with mean-free-paths >20 μm at 300 K, which contributes 15 W m -1 K -1 (10%) to calculated heat conduction in Si. Thus, we propose that omission of the macroscopic damping for low-energy phonons in the first-principles calculations could be one of the possible explanations for the observed differences between our measurements and calculations. Finally, our work provides an important benchmark for future measurements and calculations of the distribution of phonon mean-free-paths in crystalline silicon.« less

  20. Evolution of the phonon density of states of LaCoO3 over the spin state transition

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Golosova, N. O.; Kozlenko, D. P.; Kolesnikov, Alexander I

    2011-01-01

    The phonon spectra of LaCoO3 were studied by inelastic neutron scattering in the temperature range of 4 120 K. The DFT calculations of the lattice dynamics have been made for interpretation of the experimental data. The observed and calculated phonon frequencies were found to be in a reasonable agreement. The evolution of the phonon density of states over the spin state transition was analyzed. In the low-temperature range (T < 50 K), an increase in the energy of resolved breathing, stretching, and bending phonon modes was found, followed by their softening and broadening at higher temperatures due to the spinmore » state transition and relevant orbital-phonon coupling.« less

  1. Seeing the invisible plasma with transient phonons in cuprous oxide

    DOE PAGES

    Frazer, Laszlo; Schaller, Richard D.; Chang, Kelvin B.; ...

    2016-12-12

    Here, the emission of phonons from electron–hole plasma is the primary limit on the efficiency of photovoltaic devices operating above the bandgap. In cuprous oxide (Cu 2O) there is no luminescence from electron–hole plasma. Therefore, we searched for optical phonons emitted by energetic charge carriers using phonon-to-exciton upconversion transitions. We found 14 meV phonons with a lifetime of 0.916 ± 0.008 ps and 79 meV phonons that are longer lived and overrepresented. It is surprising that the higher energy phonon has a longer lifetime.

  2. Terahertz and infrared spectroscopic evidence of phonon-paramagnon coupling in hexagonal piezomagnetic YMnO3

    NASA Astrophysics Data System (ADS)

    Kadlec, C.; Goian, V.; Rushchanskii, K. Z.; Kužel, P.; Ležaić, M.; Kohn, K.; Pisarev, R. V.; Kamba, S.

    2011-11-01

    Terahertz and far-infrared electric and magnetic responses of hexagonal piezomagnetic YMnO3 single crystals are investigated. Antiferromagnetic resonance is observed in the spectra of magnetic permeability μa [H(ω) oriented within the hexagonal plane] below the Néel temperature TN. This excitation softens from 41 to 32 cm-1 upon heating and finally disappears above TN. An additional weak and heavily-damped excitation is seen in the spectra of complex dielectric permittivity ɛc within the same frequency range. This excitation contributes to the dielectric spectra in both antiferromagnetic and paramagnetic phases. Its oscillator strength significantly increases upon heating toward room temperature, thus providing evidence of piezomagnetic or higher-order couplings to polar phonons. Other heavily-damped dielectric excitations are detected near 100 cm-1 in the paramagnetic phase in both ɛc and ɛa spectra, and they exhibit similar temperature behavior. These excitations appearing in the frequency range of magnon branches well below polar phonons could remind electromagnons, however their temperature dependence is quite different. We have used density functional theory for calculating phonon dispersion branches in the whole Brillouin zone. A detailed analysis of these results and of previously published magnon dispersion branches brought us to the conclusion that the observed absorption bands stem from phonon-phonon and phonon-paramagnon differential absorption processes. The latter is enabled by strong short-range in-plane spin correlations in the paramagnetic phase.

  3. Phonon-assisted optical absorption in BaSnO 3 from first principles

    NASA Astrophysics Data System (ADS)

    Monserrat, Bartomeu; Dreyer, Cyrus E.; Rabe, Karin M.

    2018-03-01

    The perovskite BaSnO3 provides a promising platform for the realization of an earth-abundant n -type transparent conductor. Its optical properties are dominated by a dispersive conduction band of Sn 5 s states and by a flatter valence band of O 2 p states, with an overall indirect gap of about 2.9 eV . Using first-principles methods, we study the optical properties of BaSnO3 and show that both electron-phonon interactions and exact exchange, included using a hybrid functional, are necessary to obtain a qualitatively correct description of optical absorption in this material. In particular, the electron-phonon interaction drives phonon-assisted optical absorption across the minimum indirect gap and therefore determines the absorption onset, and it also leads to the temperature dependence of the absorption spectrum. Electronic correlations beyond semilocal density functional theory are key to determine the dynamical stability of the cubic perovskite structure, as well as the correct energies of the conduction bands that dominate absorption. Our work demonstrates that phonon-mediated absorption processes should be included in the design of novel transparent conductor materials.

  4. Phonon structures of GaN-based random semiconductor alloys

    NASA Astrophysics Data System (ADS)

    Zhou, Mei; Chen, Xiaobin; Li, Gang; Zheng, Fawei; Zhang, Ping

    2017-12-01

    Accurate modeling of thermal properties is strikingly important for developing next-generation electronics with high performance. Many thermal properties are closely related to phonon dispersions, such as sound velocity. However, random substituted semiconductor alloys AxB1-x usually lack translational symmetry, and simulation with periodic boundary conditions often requires large supercells, which makes phonon dispersion highly folded and hardly comparable with experimental results. Here, we adopt a large supercell with randomly distributed A and B atoms to investigate substitution effect on the phonon dispersions of semiconductor alloys systematically by using phonon unfolding method [F. Zheng, P. Zhang, Comput. Mater. Sci. 125, 218 (2016)]. The results reveal the extent to which phonon band characteristics in (In,Ga)N and Ga(N,P) are preserved or lost at different compositions and q points. Generally, most characteristics of phonon dispersions can be preserved with indium substitution of gallium in GaN, while substitution of nitrogen with phosphorus strongly perturbs the phonon dispersion of GaN, showing a rapid disintegration of the Bloch characteristics of optical modes and introducing localized impurity modes. In addition, the sound velocities of both (In,Ga)N and Ga(N,P) display a nearly linear behavior as a function of substitution compositions. Supplementary material in the form of one pdf file available from the Journal web page at http://https://doi.org/10.1140/epjb/e2017-80481-0.

  5. Phonon Effects on Charge Transport Through a Two State Molecule

    NASA Astrophysics Data System (ADS)

    Ulloa, Sergio E.; Yudiarsah, Efta

    2008-03-01

    We study the effect of local and non-local phonon on the transport properties of a molecule model described by two- electronic states. The local phonon interaction is tackled by means of a Lang Firsov transformation [1,2]. The interaction with non-local phonons (phonon-assisted hopping) is considered perturbatively up to the first nonzero order in the self energy. The presence of different kinds of electron-phonon interaction open new transmission channels. In addition to the polaron shift and replicas due to local phonons, non-local phonons cause the appearance of new satellite states around the initial states. In the weak coupling regime of non-local phonon and electrons, states are shifted an amount proportional to square of the interaction. However, in the strong coupling regime, the non-linear effects emerge and display more interesting features on transport properties. Additional features on transport properties due to new transmission channel are shown to appear at finite temperatures. [1] G. D. Mahan, Many-particle physics, 3rd ed. (Plenum Publishers, New York, 2000). [2] R. Gutierrez et al., Phys. Rev. B. 74, 235105 (2006).

  6. Hydrodynamic phonon drift and second sound in a (20,20) single-wall carbon nanotube

    DOE PAGES

    Lee, Sangyeop; Lindsay, Lucas

    2017-05-18

    Here, two hydrodynamic features of phonon transport, phonon drift and second sound, in a (20,20) single wall carbon nanotube (SWCNT) are discussed using lattice dynamics calculations employing an optimized Tersoff potential for atomic interactions. We formally derive a formula for the contribution of drift motion of phonons to total heat flux at steady state. It is found that the drift motion of phonons carry more than 70% and 90% of heat at 300 K and 100 K, respectively, indicating that phonon flow can be reasonably approximated as hydrodynamic if the SWCNT is long enough to avoid ballistic phonon transport. Themore » dispersion relation of second sound is derived from the Peierls-Boltzmann transport equation with Callaway s scattering model and quantifies the speed of second sound and its relaxation. The speed of second sound is around 4000 m/s in a (20,20) SWCNT and the second sound can propagate more than 10 m in an isotopically pure (20,20) SWCNT for frequency around 1 GHz at 100 K.« less

  7. Hydrodynamic phonon drift and second sound in a (20,20) single-wall carbon nanotube

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lee, Sangyeop; Lindsay, Lucas

    Here, two hydrodynamic features of phonon transport, phonon drift and second sound, in a (20,20) single wall carbon nanotube (SWCNT) are discussed using lattice dynamics calculations employing an optimized Tersoff potential for atomic interactions. We formally derive a formula for the contribution of drift motion of phonons to total heat flux at steady state. It is found that the drift motion of phonons carry more than 70% and 90% of heat at 300 K and 100 K, respectively, indicating that phonon flow can be reasonably approximated as hydrodynamic if the SWCNT is long enough to avoid ballistic phonon transport. Themore » dispersion relation of second sound is derived from the Peierls-Boltzmann transport equation with Callaway s scattering model and quantifies the speed of second sound and its relaxation. The speed of second sound is around 4000 m/s in a (20,20) SWCNT and the second sound can propagate more than 10 m in an isotopically pure (20,20) SWCNT for frequency around 1 GHz at 100 K.« less

  8. Raman spectroscopy of magneto-phonon resonances in graphene and graphite

    NASA Astrophysics Data System (ADS)

    Goler, Sarah; Yan, Jun; Pellegrini, Vittorio; Pinczuk, Aron

    2012-08-01

    The magneto-phonon resonance or MPR occurs in semiconductor materials when the energy spacing between Landau levels is continuously tuned to cross the energy of an optical phonon mode. MPRs have been largely explored in bulk semiconductors, in two-dimensional systems and in quantum dots. Recently there has been significant interest in the MPR interactions of the Dirac fermion magneto-excitons in graphene, and a rich splitting and anti-crossing phenomena of the even parity E2g long wavelength optical phonon mode have been theoretically proposed and experimentally observed. The MPR has been found to crucially depend on disorder in the graphene layer. This is a feature that creates new venues for the study of interplays between disorder and interactions in the atomic layers. We review here the fundamentals of MRP in graphene and the experimental Raman scattering works that have led to the observation of these phenomena in graphene and graphite.

  9. Effect of the Lattice and Spin-Phonon Contributions on the Temperature Behavior of the Ground State Splitting of Gd3+ in SrMoO4

    NASA Astrophysics Data System (ADS)

    Gorlov, A. D.

    2018-02-01

    The temperature behavior of the EPR spectra of the Gd3+ impurity center in single crystals of SrMoO4 in the temperature range T = 99-375 K is studied. The analysis of the temperature dependences of the spin Hamiltonian b 2 0 ( T) = b 2( F) + b 2( L) and P 2 0 ( T) = P 2( F) + P 2( L) (for Gd157) describing the EPR spectrum and contributing to the Gd3+ ground state splitting Δ E is carried out. In terms of the Newman model, the values of b 2( L) and P 2( L) depending on the thermal expansion of the static lattice are estimated; the b 2( F) and P 2( F) spin-phonon contributions determined by the lattice ion oscillations are separated. The analysis of b 2 0 ( T) and P 2 0 ( T) is evidence of the positive contribution of the spin-phonon interaction; the model of the local oscillations of the impurity cluster with close frequencies ω describes well the temperature behavior of b 2( F) and P 2( F).

  10. Surface induced phonon decay rates in thin film nano-structures

    NASA Astrophysics Data System (ADS)

    Photiadis, D. M.

    2007-12-01

    Nano-scale structure significantly impacts phonon transport and related phonon relaxation rates, with order of magnitude effects on the thermal conductivity of dielectric thin films and quantum wires, and even larger effects on the lifetimes of ultrasonic phonons of micro- (nano-) oscillators. In both cases, efforts to explain the data have been hampered by our lack of knowledge of the effects of confined dimensionality on phonon-phonon scattering rates. Using a phonon Boltzmann equation with appropriate boundary conditions on the free surfaces to take surface roughness into account, we have obtained an expression yielding phonon lifetimes in 2-D dielectric nanostructures(thin films) resulting from phonon-phonon scattering in conjunction with phonon-surface scattering. We present these theoretical results and, in the limit in which surface induced losses dominate, obtain explicit predictions for the phonon lifetimes. The predicted temperature dependence of the ultrason! ic loss does not explain the observed saturation of the loss at low temperatures(τ(T) → const), but does give results of the order of magnitude of measured ultrasonic lifetimes.

  11. Phonon anomalies in FeS

    DOE PAGES

    Baum, A.; Milosavljevic, A.; Lazarevic, N.; ...

    2018-02-12

    Here, we present results from light scattering experiments on tetragonal FeS with the focus placed on lattice dynamics. We identify the Raman active A 1g and B 1g phonon modes, a second order scattering process involving two acoustic phonons, and contributions from potentially defect-induced scattering. The temperature dependence between 300 and 20 K of all observed phonon energies is governed by the lattice contraction. Below 20 K the phonon energies increase by 0.5–1 cm -1 , thus indicating putative short range magnetic order. Additionally, along with the experiments we performed lattice-dynamical simulations and a symmetry analysis for the phonons andmore » potential overtones and find good agreement with the experiments. In particular, we argue that the two-phonon excitation observed in a gap between the optical branches becomes observable due to significant electron-phonon interaction.« less

  12. Phonon anomalies in FeS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Baum, A.; Milosavljevic, A.; Lazarevic, N.

    Here, we present results from light scattering experiments on tetragonal FeS with the focus placed on lattice dynamics. We identify the Raman active A 1g and B 1g phonon modes, a second order scattering process involving two acoustic phonons, and contributions from potentially defect-induced scattering. The temperature dependence between 300 and 20 K of all observed phonon energies is governed by the lattice contraction. Below 20 K the phonon energies increase by 0.5–1 cm -1 , thus indicating putative short range magnetic order. Additionally, along with the experiments we performed lattice-dynamical simulations and a symmetry analysis for the phonons andmore » potential overtones and find good agreement with the experiments. In particular, we argue that the two-phonon excitation observed in a gap between the optical branches becomes observable due to significant electron-phonon interaction.« less

  13. Phonon impedance matching: minimizing interfacial thermal resistance of thin films

    NASA Astrophysics Data System (ADS)

    Polanco, Carlos; Zhang, Jingjie; Ghosh, Avik

    2014-03-01

    The challenge to minimize interfacial thermal resistance is to allow a broad band spectrum of phonons, with non-linear dispersion and well defined translational and rotational symmetries, to cross the interface. We explain how to minimize this resistance using a frequency dependent broadening matrix that generalizes the notion of acoustic impedance to the whole phonon spectrum including symmetries. We show how to ``match'' two given materials by joining them with a single atomic layer, with a multilayer material and with a graded superlattice. Atomic layer ``matching'' requires a layer with a mass close to the arithmetic mean (or spring constant close to the harmonic mean) to favor high frequency phonon transmission. For multilayer ``matching,'' we want a material with a broadening close to the geometric mean to maximize transmission peaks. For graded superlattices, a continuous sequence of geometric means translates to an exponentially varying broadening that generates a wide-band antireflection coating for both the coherent and incoherent limits. Our results are supported by ``first principles'' calculations of thermal conductance for GaAs / Gax Al1 - x As / AlAs thin films using the Non-Equilibrium Greens Function formalism coupled with Density Functional Perturbation Theory. NSF-CAREER (QMHP 1028883), NSF-IDR (CBET 1134311), XSEDE.

  14. High mobility In0.75Ga0.25As quantum wells in an InAs phonon lattice

    NASA Astrophysics Data System (ADS)

    Chen, C.; Holmes, S. N.; Farrer, I.; Beere, H. E.; Ritchie, D. A.

    2018-03-01

    InGaAs based devices are great complements to silicon for CMOS, as they provide an increased carrier saturation velocity, lower operating voltage and reduced power dissipation (International technology roadmap for semiconductors (www.itrs2.net)). In this work we show that In0.75Ga0.25As quantum wells with a high mobility, 15 000 to 20 000 cm2 V-1 s-1 at ambient temperature, show an InAs-like phonon with an energy of 28.8 meV, frequency of 232 cm-1 that dominates the polar-optical mode scattering from  ˜70 K to 300 K. The measured optical phonon frequency is insensitive to the carrier density modulated with a surface gate or LED illumination. We model the electron scattering mechanisms as a function of temperature and identify mechanisms that limit the electron mobility in In0.75Ga0.25As quantum wells. Background impurity scattering starts to dominate for temperatures  <100 K. In the high mobility In0.75Ga0.25As quantum well, GaAs-like phonons do not couple to the electron gas unlike the case of In0.53Ga0.47As quantum wells.

  15. Polymorphisms of alcohol metabolizing enzymes in indigenous Mexican population: unusual high frequency of CYP2E1*c2 allele.

    PubMed

    Gordillo-Bastidas, Elizabeth; Panduro, Arturo; Gordillo-Bastidas, Daniela; Zepeda-Carrillo, Eloy A; García-Bañuelos, Jesús J; Muñoz-Valle, José F; Bastidas-Ramírez, Blanca E

    2010-01-01

    Alcohol abuse represents the major identified etiological factor of cirrhosis in México. ADH1B, ALDH2, and CYP2E1 have been considered candidate genes in alcohol-related diseases. Controversial results probably due to ethnic differences, among other factors, have been reported. Mexican Mestizos (MES) derive from the combination of indigenous, Spaniard, and African genes. Huichols (HUI) constitute an indigenous group from western Mexico with no racial admixture. We determined ADH1B*2, ALDH2*2, and CYP2E1*c2 allele frequencies in healthy HUI and MES from western Mexico. Lipid and hepatic profile were also carried out. One hundred and one HUI and 331 MES subjects were studied. Genotype and allele frequency were assessed through polymerase chain reaction-restriction fragment length polymorphism after DNA isolation from peripheral leukocytes. Commercial kits for lipid and hepatic determinations were used. Polymorphic allele distribution in HUI was: 0%ADH1B*2, 0.5%ALDH2*2, 51.5%CYP2E1*c2; in MES: 3.4%ADH1B*2, 0%ALDH2*2, 16.1%CYP2E1*c2. Frequency of ADH1B*2 was statistically (p < 0.001) lower in HUI than MES. CYP2E1*c2 polymorphic allele was significantly higher (p < 0.0001) in HUI than MES. Hepatic profile was normal in both groups. HUI showed a better lipid profile than MES independently of genotype. Huichols exhibited the highest CYP2E1*c2 allele frequency of the world documented up to this date; meanwhile, ADH1B*2 and ALDH2*2 were practically absent. This feature could be useful in the understanding of Mexican population gene composition, alcohol metabolism, and alcoholic liver disease development. However, further association studies are necessary. The heterogeneity of Mexican population was evidenced by the significantly different distribution of CYP2E1*c2 allele observed among different regions of the country. Lipid and hepatic values were not associated to genotype. This report constitutes the first study dealing with gene polymorphisms of alcohol metabolizing

  16. Circularly polarized zero-phonon transitions of vacancies in diamond at high magnetic fields

    NASA Astrophysics Data System (ADS)

    Braukmann, D.; Glaser, E. R.; Kennedy, T. A.; Bayer, M.; Debus, J.

    2018-05-01

    We study the circularly polarized photoluminescence of negatively charged (NV-) and neutral (NV0) nitrogen-vacancy ensembles and neutral vacancies (V0) in diamond crystals exposed to magnetic fields of up to 10 T. We determine the orbital and spin Zeeman splitting as well as the energetic ordering of their ground and first-excited states. The spin-triplet and -singlet states of the NV- are described by an orbital Zeeman splitting of about 9 μ eV /T , which corresponds to a positive orbital g -factor of gL=0.164 under application of the magnetic field along the (001) and (111) crystallographic directions, respectively. The zero-phonon line (ZPL) of the NV- singlet is defined as a transition from the 1E' states, which are split by gLμBB , to the 1A1 state. The energies of the zero-phonon triplet transitions show a quadratic dependence on intermediate magnetic field strengths, which we attribute to a mixing of excited states with nonzero orbital angular momentum. Moreover, we identify slightly different spin Zeeman splittings in the ground (gs) and excited (es) triplet states, which can be expressed by a deviation between their spin g -factors: gS ,es=gS ,gs+Δ g with values of Δ g =0.014 and 0.029 in the (001) and (111) geometries, respectively. The degree of circular polarization of the NV- ZPLs depends significantly on the temperature, which is explained by an efficient spin-orbit coupling of the excited states mediated through acoustic phonons. We further demonstrate that the sign of the circular polarization degree is switched under rotation of the diamond crystal. A weak Zeeman splitting similar to Δ g μBB measured for the NV- ZPLs is also obtained for the NV0 zero-phonon lines, from which we conclude that the ground state is composed of two optically active states with compensated orbital contributions and opposite spin-1/2 momentum projections. The zero-phonon lines of the V0 show Zeeman splittings and degrees of the circular polarization with opposite

  17. Vacuum phonon tunneling.

    PubMed

    Altfeder, Igor; Voevodin, Andrey A; Roy, Ajit K

    2010-10-15

    Field-induced phonon tunneling, a previously unknown mechanism of interfacial thermal transport, has been revealed by ultrahigh vacuum inelastic scanning tunneling microscopy (STM). Using thermally broadened Fermi-Dirac distribution in the STM tip as in situ atomic-scale thermometer we found that thermal vibrations of the last tip atom are effectively transmitted to sample surface despite few angstroms wide vacuum gap. We show that phonon tunneling is driven by interfacial electric field and thermally vibrating image charges, and its rate is enhanced by surface electron-phonon interaction.

  18. Dominant phonon wave vectors and strain-induced splitting of the 2D Raman mode of graphene

    NASA Astrophysics Data System (ADS)

    Narula, Rohit; Bonini, Nicola; Marzari, Nicola; Reich, Stephanie

    2012-03-01

    The dominant phonon wave vectors q* probed by the 2D Raman mode of pristine and uniaxially strained graphene are determined via a combination of ab initio calculations and a full two-dimensional integration of the transition matrix. We show that q* are highly anisotropic and rotate about K with the polarizer and analyzer condition relative to the lattice. The corresponding phonon-mediated electronic transitions show a finite component along K-Γ that sensitively determines q*. We invalidate the notion of “inner” and “outer” processes. The characteristic splitting of the 2D mode of graphene under uniaxial tensile strain and given polarizer and analyzer setting is correctly predicted only if the strain-induced distortion and red-shift of the in-plane transverse optical (iTO) phonon dispersion as well as the changes in the electronic band structure are taken into account.

  19. Phonon thermal transport in 2H, 4H and 6H silicon carbide from first principles

    DOE PAGES

    Protik, Nakib Haider; Katre, Ankita; Lindsay, Lucas R.; ...

    2017-06-07

    Here, silicon carbide (SiC) is a wide band gap semiconductor with a variety of industrial applications. Among its many useful properties is its high thermal conductivity, which makes it advantageous for thermal management applications. In this paper we present ab initio calculations of the in-plane and cross-plane thermal conductivities, κ in and κ out, of three common hexagonal polytypes of SiC: 2H, 4H and 6H. The phonon Boltzmann transport equation is solved iteratively using as input interatomic force constants determined from density functional theory. Both κ in and κ out decrease with increasing n in nH SiC because of additionalmore » low-lying optic phonon branches. These optic branches are characterized by low phonon group velocities, and they increase the phase space for phonon-phonon scattering of acoustic modes. Also, for all n, κ in is found to be larger than κ out in the temperature range considered. At electron concentrations present in experimental samples, scattering of phonons by electrons is shown to be negligible except well below room temperature where it can lead to a significant reduction of the lattice thermal conductivity. This work highlights the power of ab initio approaches in giving quantitative, predictive descriptions of thermal transport in materials. It helps explain the qualitative disagreement that exists among different sets of measured thermal conductivity data and provides information of the relative quality of samples from which measured data was obtained.« less

  20. Phonon thermal transport in 2H, 4H and 6H silicon carbide from first principles

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Protik, Nakib Haider; Katre, Ankita; Lindsay, Lucas R.

    Here, silicon carbide (SiC) is a wide band gap semiconductor with a variety of industrial applications. Among its many useful properties is its high thermal conductivity, which makes it advantageous for thermal management applications. In this paper we present ab initio calculations of the in-plane and cross-plane thermal conductivities, κ in and κ out, of three common hexagonal polytypes of SiC: 2H, 4H and 6H. The phonon Boltzmann transport equation is solved iteratively using as input interatomic force constants determined from density functional theory. Both κ in and κ out decrease with increasing n in nH SiC because of additionalmore » low-lying optic phonon branches. These optic branches are characterized by low phonon group velocities, and they increase the phase space for phonon-phonon scattering of acoustic modes. Also, for all n, κ in is found to be larger than κ out in the temperature range considered. At electron concentrations present in experimental samples, scattering of phonons by electrons is shown to be negligible except well below room temperature where it can lead to a significant reduction of the lattice thermal conductivity. This work highlights the power of ab initio approaches in giving quantitative, predictive descriptions of thermal transport in materials. It helps explain the qualitative disagreement that exists among different sets of measured thermal conductivity data and provides information of the relative quality of samples from which measured data was obtained.« less

  1. Probing Phonon Dynamics in Individual Single-Walled Carbon Nanotubes.

    PubMed

    Jiang, Tao; Hong, Hao; Liu, Can; Liu, Wei-Tao; Liu, Kaihui; Wu, Shiwei

    2018-04-11

    Interactions between elementary excitations, such as carriers, phonons, and plasmons, are critical for understanding the optical and electronic properties of materials. The significance of these interactions is more prominent in low-dimensional materials and can dominate their physical properties due to the enhanced interactions between these excitations. One-dimensional single-walled carbon nanotubes provide an ideal system for studying such interactions due to their perfect physical structures and rich electronic properties. Here we investigated G-mode phonon dynamics in individual suspended chirality-resolved single-walled carbon nanotubes by time-resolved anti-Stokes Raman spectroscopy. The improved technique allowed us to probe the intrinsic phonon information on a single-tube level and exclude the influences of tube-tube and tube-substrate interactions. We found that the G-mode phonon lifetime ranges from 0.75-2.25 ps and critically depends on whether the tube is metallic or semiconducting. In comparison with the phonon lifetimes in graphene and graphite, we revealed structure-dependent carrier-phonon and phonon-phonon interactions in nanotubes. Our results provide new information for optimizing the design of nanotube electronic/optoelectronic devices by better understanding and utilizing their phonon decay channels.

  2. Phonon properties of lutetium pnictides

    NASA Astrophysics Data System (ADS)

    Arya, Balwant Singh; Aynyas, Mahendra; Sanyal, Sankar P.

    2018-05-01

    Phonon properties of Lutetium pnictides (LuX : X = P, As) have been studied by using breathing shell model (BSM) which includes breathing motion of electrons of the Lu atoms due to f-d hybridization to establish their predominant ionic nature. The calculated phonon dispersion curves of these compounds are presented follow the same trend as observed in ytterbium pnictides (YbP and YbAs). We also report one phonon density of states and specific heat for these compounds. We discuss the significance of this approach in predicting the phonon dispersion curves and examine the role of electron-phonon interaction.

  3. Magnon and phonon dispersion, lifetime, and thermal conductivity of iron from spin-lattice dynamics simulations

    NASA Astrophysics Data System (ADS)

    Wu, Xufei; Liu, Zeyu; Luo, Tengfei

    2018-02-01

    In recent years, the fundamental physics of spin-lattice (e.g., magnon-phonon) interaction has attracted significant experimental and theoretical interests given its potential paradigm-shifting impacts in areas like spin-thermoelectrics, spin-caloritronics, and spintronics. Modelling studies of the transport of magnons and phonons in magnetic crystals are very rare. In this paper, we use spin-lattice dynamics (SLD) simulations to model ferromagnetic crystalline iron, where the spin and lattice systems are coupled through the atomic position-dependent exchange function, and thus the interaction between magnons and phonons is naturally considered. We then present a method combining SLD simulations with spectral energy analysis to calculate the magnon and phonon harmonic (e.g., dispersion, specific heat, and group velocity) and anharmonic (e.g., scattering rate) properties, based on which their thermal conductivity values are calculated. This work represents an example of using SLD simulations to understand the transport properties involving coupled magnon and phonon dynamics.

  4. Estimation of electron–phonon coupling and Urbach energy in group-I elements doped ZnO nanoparticles and thin films by sol–gel method

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Vettumperumal, R.; Kalyanaraman, S., E-mail: mayura_priya2003@yahoo.co.in; Santoshkumar, B.

    Highlights: • Comparison of group-I elements doped ZnO nanoparticles and thin films. • Calculation of electron–phonon coupling and phonon lifetime from Raman spectroscopy. • Estimation of interband states from Urbach energy. - Abstract: Group-I (Li, Na, K & Cs) elements doped ZnO nanoparticles (NPs) and thin films were prepared using sol–gel method. XRD data and TEM images confirm the absence of any other secondary phase different from wurtzite type ZnO. Spherical shapes of grains are observed from the surfaces of doped ZnO films by atomic force microscope images (AFM) and presences of dopants are confirmed from energy dispersive X-ray spectra.more » The Raman active E{sub 2} (high), E{sub 2} (low), E{sub 1} and A{sub 1} (LO) modes are observed from both ZnO NPs and thin films. First-order longitudinal optical (LO) phonon is found to have contributions from direct band transition and localized excitons. Electron–phonon coupling, phonon lifetime and deformation energy of ZnO are calculated based on the effect of dopants with respect to the multiple Raman LO phonon scattering. Presence of localized interbands states in doped ZnO NPs and thin films are found from the Urbach energy calculations.« less

  5. Phonoconductivity measurements of the electron-phonon interaction in quantum wire structures

    NASA Astrophysics Data System (ADS)

    Naylor, A. J.; Strickland, K. R.; Kent, A. J.; Henini, M.

    1996-07-01

    We have used a phonoconductivity technique to investigate the electron-phonon interaction in quantum wires. This interaction has important consequences for certain aspects of device behaviour. The 10 μm long wires were formed in GaAs/AlGaAs heterojunctions using split-gates. Ballistic phonon pulses, with an approximately Planckian frequency spectrum, were generated by a resistive film heater on the opposite side of the substrate. The interaction of the phonons with the quantum wire was detected via changes in conductance of the device. Oscillations in the phonoconductivity were observed with increasing (negative) gate bias. These oscillations were related to the Fermi level position relative to the one-dimensional subband structure which was determined from electrical transport measurements. We give a qualitative explanation of the results in terms of phonon induced inter- and intra- 1D subband electronic transitions leading to changes in the electron temperature which in turn affect the conductance. From our results we obtain a value for the effective width of the quantum wire.

  6. Structure, phonons and related properties in zinc-IV-nitride (IV = silicon, germanium, tin), scandium nitride, and rare-earth nitrides

    NASA Astrophysics Data System (ADS)

    Paudel, Tula R.

    various types of derivatives of the total energy versus perturbation parameters. Essentially, the long-range forces have to be treated explicitly in terms of the Born effective charge tensors which are the mixed second derivatives of the total energy of the system with respect to static electric fields and atomic displacements whereas the short-range part of the force constants is obtained from second derivatives versus atomic displacements. The second derivatives versus electrostatic field give the high-frequency dielectric function. The longitudinal and transverse response of the solid is then obtained from the calculation of the frequency dependent dielectric response function in the frequency range of the phonons. We thus present as results: first the equilibrium structure, i.e. the optimized lattice constants and internal coordinates which form the starting point for any study of the vibrational modes; second the vibrational modes at Gamma including their LO-TO splittings, third, the Born effective charges and the dielectric functions which are directly related to the experimental infrared spectra. In order to obtain the Raman intensities, one needs the derivatives of the electric susceptibility versus atomic displacements. (Abstract shortened by UMI.)

  7. Effect of Al doping on thermoelectric power of Mg1-xAlxB2 phonon drag and carrier diffusion contribution

    NASA Astrophysics Data System (ADS)

    Singh, Namita; Sharma, Roopam; Khenata, R.; Varshney, Dinesh

    2018-05-01

    The carrier diffusion contribution to the thermoelectric power (Scdiff) is calculated for MgB2, Mg0.9A10.1B2 and drag Mg0.8Al0.2B2 within two energy gap method. The phonon drag thermoelectric power (Sphdrag) in normal state dominate and is an artifact of strong phonon-impurity and phonon scattering mechanism. The conductivity within the relaxation time approximation for π and σ band carriers has been taken into account ignoring a possible energy dependence of the scattering rates. Both these channels for heat transfer are clubbed to get total thermoelectric power (Stotal) which starts departing from linear temperature dependence at about 150 K, before increasing at higher temperatures weakly. The anomalies reported are well accounted in terms of the scattering mechanism by phonon drag and carrier scattering with impurities, shows similar results as those revealed from experiments.

  8. A first-principles density functional theory study of the electronic structural and thermodynamic properties of M2ZrO3 and M2CO3 (M=Na, K) and their capabilities for CO2 capture

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yuhua Duan

    2012-01-01

    Alkali metal zirconates could be used as solid sorbents for CO{sub 2} capture. The structural, electronic, and phonon properties of Na{sub 2}ZrO{sub 3}, K{sub 2}ZrO{sub 3}, Na{sub 2}CO{sub 3}, and K{sub 2}CO{sub 3} are investigated by combining the density functional theory with lattice phonon dynamics. The thermodynamics of CO{sub 2} absorption/desorption reactions of these two zirconates are analyzed. The calculated results show that their optimized structures are in a good agreement with experimental measurements. The calculated band gaps are 4.339 eV (indirect), 3.641 eV (direct), 3.935 eV (indirect), and 3.697 eV (direct) for Na{sub 2}ZrO{sub 3}, K{sub 2}ZrO{sub 3}, Na{submore » 2}CO{sub 3}, and K{sub 2}CO{sub 3}, respectively.The calculated phonon dispersions and phonon density of states for M{sub 2}ZrO{sub 3} and M{sub 2}CO{sub 3} (M = K, Na, Li) revealed that from K to Na to Li, their frequency peaks are shifted to high frequencies due to the molecular weight decreased from K to Li. From the calculated reaction heats and relationships of free energy change versus temperatures and CO{sub 2} pressures of the M{sub 2}ZrO{sub 3} (M = K, Na, Li) reacting with CO{sub 2}, we found that the performance of Na{sub 2}ZrO{sub 3} capturing CO{sub 2} is similar to that of Li{sub 2}ZrO{sub 3} and is better than that of K{sub 2}ZrO{sub 3}. Therefore, Na{sub 2}ZrO{sub 3} and Li{sub 2}ZrO{sub 3} are good candidates of high temperature CO{sub 2} sorbents and could be used for post combustion CO{sub 2} capture technologies.« less

  9. Phonon localization transition in relaxor ferroelectric PZN-5%PT

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Manley, Michael E.; Christianson, Andrew D.; Abernathy, Douglas L.

    Relaxor ferroelectric behavior occurs in many disordered ferroelectric materials but is not well understood at the atomic level. Recent experiments and theoretical arguments indicate that Anderson localization of phonons instigates relaxor behavior by driving the formation of polar nanoregions (PNRs). Here, we use inelastic neutron scattering to observe phonon localization in relaxor ferroelectric PZN-5%PT (0.95[Pb(Zn 1/3 Nb 2/3)O 3]–0.05PbTiO 3) and detect additional features of the localization process. In the lead, up to phonon localization on cooling, the local resonant modes that drive phonon localization increase in number. The increase in resonant scattering centers is attributed to a known increasemore » in the number of locally off centered Pb atoms on cooling. The transition to phonon localization occurs when these random scattering centers increase to a concentration where the Ioffe-Regel criterion is satisfied for localizing the phonon. Finally, we also model the effects of damped mode coupling on the observed phonons and phonon localization structure.« less

  10. Phonon localization transition in relaxor ferroelectric PZN-5%PT

    DOE PAGES

    Manley, Michael E.; Christianson, Andrew D.; Abernathy, Douglas L.; ...

    2017-03-27

    Relaxor ferroelectric behavior occurs in many disordered ferroelectric materials but is not well understood at the atomic level. Recent experiments and theoretical arguments indicate that Anderson localization of phonons instigates relaxor behavior by driving the formation of polar nanoregions (PNRs). Here, we use inelastic neutron scattering to observe phonon localization in relaxor ferroelectric PZN-5%PT (0.95[Pb(Zn 1/3 Nb 2/3)O 3]–0.05PbTiO 3) and detect additional features of the localization process. In the lead, up to phonon localization on cooling, the local resonant modes that drive phonon localization increase in number. The increase in resonant scattering centers is attributed to a known increasemore » in the number of locally off centered Pb atoms on cooling. The transition to phonon localization occurs when these random scattering centers increase to a concentration where the Ioffe-Regel criterion is satisfied for localizing the phonon. Finally, we also model the effects of damped mode coupling on the observed phonons and phonon localization structure.« less

  11. Pressure-enabled phonon engineering in metals

    PubMed Central

    Lanzillo, Nicholas A.; Thomas, Jay B.; Watson, Bruce; Washington, Morris; Nayak, Saroj K.

    2014-01-01

    We present a combined first-principles and experimental study of the electrical resistivity in aluminum and copper samples under pressures up to 2 GPa. The calculations are based on first-principles density functional perturbation theory, whereas the experimental setup uses a solid media piston–cylinder apparatus at room temperature. We find that upon pressurizing each metal, the phonon spectra are blue-shifted and the net electron–phonon interaction is suppressed relative to the unstrained crystal. This reduction in electron–phonon scattering results in a decrease in the electrical resistivity under pressure, which is more pronounced for aluminum than for copper. We show that density functional perturbation theory can be used to accurately predict the pressure response of the electrical resistivity in these metals. This work demonstrates how the phonon spectra in metals can be engineered through pressure to achieve more attractive electrical properties. PMID:24889627

  12. Bulk-like-phonon polaritons in one-dimensional photonic superlattices

    NASA Astrophysics Data System (ADS)

    Gómez-Urrea, H. A.; Duque, C. A.; Mora-Ramos, M. E.

    2017-05-01

    We investigate the properties of a one-dimensional photonic superlattice made of alternating layers of air and wurtzite aluminum nitride. The Maxwell equations are solved for any admissible values of the angle of incidence by means of the transfer matrix formalism. The band structure of the frequency spectrum is obtained, as well as the density of states and transmittance associated to both the TM and TE modes. The dispersion relations indicate that for oblique incidence and TM modes there is a component of the electric field oriented along the growth direction of the structure that couples with the longitudinal optical phonon oscillations of the aluminum nitride thus leading to the appearance of longitudinal phonon polaritons in the system.

  13. Coherent excitations and electron-phonon coupling in Ba/EuFe2As2 compounds investigated by femtosecond time- and angle-resolved photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Avigo, I.; Cortés, R.; Rettig, L.; Thirupathaiah, S.; Jeevan, H. S.; Gegenwart, P.; Wolf, T.; Ligges, M.; Wolf, M.; Fink, J.; Bovensiepen, U.

    2013-03-01

    We employed femtosecond time- and angle-resolved photoelectron spectroscopy to analyze the response of the electronic structure of the 122 Fe-pnictide parent compounds Ba/EuFe2As2 and optimally doped BaFe1.85Co0.15As2 near the Γ point to optical excitation by an infrared femtosecond laser pulse. We identify pronounced changes of the electron population within several 100 meV above and below the Fermi level, which we explain as a combination of (i) coherent lattice vibrations, (ii) a hot electron and hole distribution, and (iii) transient modifications of the chemical potential. The responses of the three different materials are very similar. In the coherent response we identify three modes at 5.6, 3.3, and 2.6 THz. While the highest frequency mode is safely assigned to the A1g mode, the other two modes require a discussion in comparison to the literature. Employing a transient three temperature model we deduce from the transient evolution of the electron distribution a rather weak, momentum-averaged electron-phonon coupling quantified by values for λ<ω2> between 30 and 70 meV2. The chemical potential is found to present pronounced transient changes reaching a maximum of 15 meV about 0.6 ps after optical excitation and is modulated by the coherent phonons. This change in the chemical potential is particularly strong in a multiband system like the 122 Fe-pnictide compounds investigated here due to the pronounced variation of the electron density of states close to the equilibrium chemical potential.

  14. Soft phononic crystals with deformation-independent band gaps

    PubMed Central

    2017-01-01

    Soft phononic crystals have the advantages over their stiff counterparts of being flexible and reconfigurable. Normally, the band gaps of soft phononic crystals will be modified after deformation due to both geometric and constitutive nonlinearity. Indeed these are important properties that can be exploited to tune the dynamic properties of the material. However, in some instances, it may be that one wishes to deform the medium while retaining the band gap structure. A special class of soft phononic crystals is described here with band gaps that are independent or almost-independent of the imposed mechanical deformation, which enables the design of phononic crystals with robust performance. This remarkable behaviour originates from transformation elasticity theory, which leaves the wave equation and the eigenfrequencies invariant after deformation. The necessary condition to achieve such a property is that the Lagrangian elasticity tensor of the hyperelastic material should be constant, i.e. independent of deformation. It is demonstrated that incompressible neo-Hookean materials exhibit such a unique property. Semilinear materials also possess this property under special loading conditions. Phononic crystals composed of these two materials are studied theoretically and the predictions of invariance, or the manner in which the response deviates from invariance, are confirmed via numerical simulation. PMID:28484331

  15. Direct observation of mode-specific phonon-band gap coupling in methylammonium lead halide perovskites.

    PubMed

    Kim, Heejae; Hunger, Johannes; Cánovas, Enrique; Karakus, Melike; Mics, Zoltán; Grechko, Maksim; Turchinovich, Dmitry; Parekh, Sapun H; Bonn, Mischa

    2017-09-25

    Methylammonium lead iodide perovskite is an outstanding semiconductor for photovoltaics. One of its intriguing peculiarities is that the band gap of this perovskite increases with increasing lattice temperature. Despite the presence of various thermally accessible phonon modes in this soft material, the understanding of how precisely these phonons affect macroscopic material properties and lead to the peculiar temperature dependence of the band gap has remained elusive. Here, we report a strong coupling of a single phonon mode at the frequency of ~ 1 THz to the optical band gap by monitoring the transient band edge absorption after ultrafast resonant THz phonon excitation. Excitation of the 1 THz phonon causes a blue shift of the band gap over the temperature range of 185 ~ 300 K. Our results uncover the mode-specific coupling between one phonon and the optical properties, which contributes to the temperature dependence of the gap in the tetragonal phase.Methylammonium lead iodide perovskite, a promising material for efficient photovoltaics, shows a unique temperature dependence of its optical properties. Kim et al. quantify the coupling between the optical gap and a lattice phonon at 1 THz, which favorably contributes to the thermal variation of the gap.

  16. Anharmonic, dimensionality and size effects in phonon transport

    NASA Astrophysics Data System (ADS)

    Thomas, Iorwerth O.; Srivastava, G. P.

    2017-12-01

    We have developed and employed a numerically efficient semi- ab initio theory, based on density-functional and relaxation-time schemes, to examine anharmonic, dimensionality and size effects in phonon transport in three- and two-dimensional solids of different crystal symmetries. Our method uses third- and fourth-order terms in crystal Hamiltonian expressed in terms of a temperature-dependent Grüneisen’s constant. All input to numerical calculations are generated from phonon calculations based on the density-functional perturbation theory. It is found that four-phonon processes make important and measurable contribution to lattice thermal resistivity above the Debye temperature. From our numerical results for bulk Si, bulk Ge, bulk MoS2 and monolayer MoS2 we find that the sample length dependence of phonon conductivity is significantly stronger in low-dimensional solids.

  17. Preface to special topic: Selected articles from phononics 2013: The second international conference on phononic crystals/metamaterials, phonon transport and optomechanics, 2-7 June 2013, Sharm El-Sheikh, Egypt

    DOE PAGES

    Hussein, Mahmoud I.; El-Kady, Ihab; Li, Baowen; ...

    2014-12-31

    “Phononics” is an interdisciplinary branch of physics and engineering that deals with the behavior of phonons, and more broadly elastic and acoustic waves in similar context, and their manipulation in solids and/or fluids to benefit technological applications. Compared to resembling disciplines, such as electronics and photonics, phononics is a youthful field. It is growing at a remarkable rate, especially when viewed liberally with no limiting constraints on any particular length scale, discipline or application.

  18. Preface to special topic: Selected articles from phononics 2013: The second international conference on phononic crystals/metamaterials, phonon transport and optomechanics, 2-7 June 2013, Sharm El-Sheikh, Egypt

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hussein, Mahmoud I.; El-Kady, Ihab; Li, Baowen

    “Phononics” is an interdisciplinary branch of physics and engineering that deals with the behavior of phonons, and more broadly elastic and acoustic waves in similar context, and their manipulation in solids and/or fluids to benefit technological applications. Compared to resembling disciplines, such as electronics and photonics, phononics is a youthful field. It is growing at a remarkable rate, especially when viewed liberally with no limiting constraints on any particular length scale, discipline or application.

  19. Phonon Dispersion Measurements of YBa 2Cu 3O 6.15 and YBa 2Cu 3O 6.95 by Time-of-Flight Neutron Spectroscopy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chung, J.-H.; Egami, T.; McQueeny, R. J.

    We measured the phonon dispersions of YBa{sub 2}Cu{sub 3}O{sub 6.15} and YBa{sub 2}Cu{sub 3}O{sub 6.95} by time-of-flight inelastic neutron scattering. The in-plane bond-stretching modes in the metallic phase showed a distinct a-b plane anisotropy beyond what is expected for structural origin. Such anisotropy in the longitudinal optical modes, which is absent in the TO, suggests strong in-plane anisotropy in the underlying electronic structure. Apical oxygen bond-stretching modes showed a large frequency change between the insulating and the metallic phases. This large softening also is beyond structural origin, and suggests the effect of local electronic environment.

  20. Optimal design of tunable phononic bandgap plates under equibiaxial stretch

    NASA Astrophysics Data System (ADS)

    Hedayatrasa, Saeid; Abhary, Kazem; Uddin, M. S.; Guest, James K.

    2016-05-01

    Design and application of phononic crystal (PhCr) acoustic metamaterials has been a topic with tremendous growth of interest in the last decade due to their promising capabilities to manipulate acoustic and elastodynamic waves. Phononic controllability of waves through a particular PhCr is limited only to the spectrums located within its fixed bandgap frequency. Hence the ability to tune a PhCr is desired to add functionality over its variable bandgap frequency or for switchability. Deformation induced bandgap tunability of elastomeric PhCr solids and plates with prescribed topology have been studied by other researchers. Principally the internal stress state and distorted geometry of a deformed phononic crystal plate (PhP) changes its effective stiffness and leads to deformation induced tunability of resultant modal band structure. Thus the microstructural topology of a PhP can be altered so that specific tunability features are met through prescribed deformation. In the present study novel tunable PhPs of this kind with optimized bandgap efficiency-tunability of guided waves are computationally explored and evaluated. Low loss transmission of guided waves throughout thin walled structures makes them ideal for fabrication of low loss ultrasound devices and structural health monitoring purposes. Various tunability targets are defined to enhance or degrade complete bandgaps of plate waves through macroscopic tensile deformation. Elastomeric hyperelastic material is considered which enables recoverable micromechanical deformation under tuning finite stretch. Phononic tunability through stable deformation of phononic lattice is specifically required and so any topology showing buckling instability under assumed deformation is disregarded. Nondominated sorting genetic algorithm (GA) NSGA-II is adopted for evolutionary multiobjective topology optimization of hypothesized tunable PhP with square symmetric unit-cell and relevant topologies are analyzed through finite

  1. The effect of hot phonons and coupled phonon-plasmon modes on scattering-induced NDR in quantum wells

    NASA Astrophysics Data System (ADS)

    Ridley, B. K.; Al-Mudares, M.

    1988-04-01

    We have extended our Monte Carlo simulation of scattering-induced NDR in Al. 8Ga 2As/GaAs quantum wells by including (a) the effect of hot phonons (b) coupled phonon-plasmon modes (c) degeneracy. Hot phonons were modelled using a phenomenological lifetime which we ranged from 3ps to 10ps. Coupled modes were modelled in the antiscreening approximation. Bulk-like modes were assumed in both cases. NDR is quenched if the phonon lifetime exceeds 7ps, but is little affected if the lifetime is 3ps. The effect of coupled modes is appreciable at a doping density of 10 18cm -3, virtually eliminating NDR, but at 10 17cm -3 the effect is much smaller. Including degeneracy has only a small effect on the results. We conclude that NDR is still possible at electron densities around 10 17cm -3.

  2. Ballistic phonon transport in holey silicon.

    PubMed

    Lee, Jaeho; Lim, Jongwoo; Yang, Peidong

    2015-05-13

    When the size of semiconductors is smaller than the phonon mean free path, phonons can carry heat with no internal scattering. Ballistic phonon transport has received attention for both theoretical and practical aspects because Fourier's law of heat conduction breaks down and the heat dissipation in nanoscale transistors becomes unpredictable in the ballistic regime. While recent experiments demonstrate room-temperature evidence of ballistic phonon transport in various nanomaterials, the thermal conductivity data for silicon in the length scale of 10-100 nm is still not available due to experimental challenges. Here we show ballistic phonon transport prevails in the cross-plane direction of holey silicon from 35 to 200 nm. The thermal conductivity scales linearly with the length (thickness) even though the lateral dimension (neck) is as narrow as 20 nm. We assess the impact of long-wavelength phonons and predict a transition from ballistic to diffusive regime using scaling models. Our results support strong persistence of long-wavelength phonons in nanostructures and are useful for controlling phonon transport for thermoelectrics and potential phononic applications.

  3. Scaling theory of tunneling diffusion of a heavy particle interacting with phonons

    NASA Astrophysics Data System (ADS)

    Itai, K.

    1988-05-01

    The author discusses motion of a heavy particle in a d-dimensional lattice interacting with phonons by different couplings. The models discussed are characterized by the dimension (d) and the set of two indices (λ,ν) which specify the momentum dependence of the dispersion of phonon energy (ω~kν) and of the particle-phonon coupling (~kλ). Scaling equations are derived by eliminating the short-time behavior in a renormalization-group scheme using Feynman's path-integral method, and the technique developed by Anderson, Yuval, and Hamann for the Kondo problem. The scaling equations show that the particle is localized in the strict sense when (2λ+d+2)/ν<2 and is not localized when (2λ+d+2)/ν>2. In the marginal case, i.e., (2λ+d+2)/ν=2, localization occurs for couplings larger than a critical value. This marginal case shows Ohmic dissipation and is a close analogy to the Caldeira-Leggett model for macroscopic quantum tunneling and the hopping models of Schmid's type. For large-enough (2λ+d+2)/ν, the particle is considered practically localized, but the origin of the localization is quite different from that for (2λ+d+2)/ν<=2. .AE

  4. Thermoelectric properties of SnSe2 monolayer.

    PubMed

    Li, Guanpeng; Ding, Guangqian; Gao, Guoying

    2017-01-11

    The 2H (MoS 2 -type) phase of 2D transition metal dichalcogenides (TMDCs) has been extensively studied and exhibits excellent electronic and optoelectronic properties, but the high phonon thermal conductivity is detrimental to the thermoelectric performances. Here, we use first-principles methods combined with Boltzmann transport theory to calculate the electronic and phononic transport properties of 1T (CdI 2 -type) SnSe 2 monolayer, a recently realized 2D metal dichalcogenide semiconductor. The calculated band gap is 0.85 eV, which is a little larger than the bulk value. Lower phonon thermal conductivity and higher power factor are obtained in 1T-SnSe 2 monolayer compared to 2H-TMDCs monolayers. The low phonon thermal conductivity (3.27 W mK -1 at room temperature) is mainly due to the low phonon frequency of acoustic modes and the coupling of acoustic modes with optical modes. We also find that the p-type has better thermoelectric performance than the n-type, and the figure of merit within p-type can reach 0.94 at 600 K for 1T-SnSe 2 monolayer, which is higher than those of most 2H-TMDCs monolayers, making 1T-SnSe 2 monolayer a promising candidate for thermoelectric applications.

  5. Phonon-mediated nuclear spin relaxation in H2O

    NASA Astrophysics Data System (ADS)

    Yamakawa, Koichiro; Azami, Shinya; Arakawa, Ichiro

    2017-03-01

    A theoretical model of the phonon-mediated nuclear spin relaxation in H2O trapped by cryomatrices has been established for the first time. In order to test the validity of this model, we measured infrared spectra of H2O trapped in solid Ar, which showed absorption peaks due to rovibrational transitions of ortho- and para-H2O in the spectral region of the bending vibration. We monitored the time evolution of the spectra and analyzed the rotational relaxation associated with the nuclear spin flip to obtain the relaxation rates of H2O at temperatures of 5-15 K. Temperature dependence of the rate is discussed in terms of the devised model.

  6. Phonon anomalies in intermediate valent TmXSe and TmSe1 - yTey

    NASA Astrophysics Data System (ADS)

    Boppart, H.; Treindl, A.; Wachter, P.

    1981-03-01

    In TmxSe and TmSe1-yTey the degree of valence mixing can be adjusted between nearly 3+ for Tm0.87Se and 2.55+ for TmSe0.7Te0.3. The measurement of sound velocities vL, vTl and vT2 and the evaluation of the Raman effect for various compositions permit the derivation of LA [111] phonon dispersion at critical points in the Brillouin zone. vL decreases with increasing valence mixing. Near the middle of the zone the LA branch gets a dip for intermediate valent compositions, resulting in a characteristic peak in the Ramn spectrum at about 60 cm-1. The elastic constant c12 has been found negative for Tm0.99Se, also at 4.2 K. For uniaxial pressures c12 exhibits strong nonlinearities and even changes sign with pressure in an intermediate valent composition. The optical phonon frequencies, LO (L) also soften proportional with the degree of valence mixing.

  7. Evolution of molecular crystal optical phonons near structural phase transitions

    NASA Astrophysics Data System (ADS)

    Michki, Nigel; Niessen, Katherine; Xu, Mengyang; Markelz, Andrea

    Molecular crystals are increasingly important photonic and electronic materials. For example organic semiconductors are lightweight compared to inorganic semiconductors and have inexpensive scale up processing with roll to roll printing. However their implementation is limited by their environmental sensitivity, in part arising from the weak intermolecular interactions of the crystal. These weak interactions result in optical phonons in the terahertz frequency range. We examine the evolution of intermolecular interactions near structural phase transitions by measuring the optical phonons as a function of temperature and crystal orientation using terahertz time-domain spectroscopy. The measured orientation dependence of the resonances provides an additional constraint for comparison of the observed spectra with the density functional calculations, enabling us to follow specific phonon modes. We observe crystal reorganization near 350 K for oxalic acid as it transforms from dihydrate to anhydrous form. We also report the first THz spectra for the molecular crystal fructose through its melting point.

  8. Molecular Solid EOS based on Quasi-Harmonic Oscillator approximation for phonons

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Menikoff, Ralph

    2014-09-02

    A complete equation of state (EOS) for a molecular solid is derived utilizing a Helmholtz free energy. Assuming that the solid is nonconducting, phonon excitations dominate the specific heat. Phonons are approximated as independent quasi-harmonic oscillators with vibrational frequencies depending on the specific volume. The model is suitable for calibrating an EOS based on isothermal compression data and infrared/Raman spectroscopy data from high pressure measurements utilizing a diamond anvil cell. In contrast to a Mie-Gruneisen EOS developed for an atomic solid, the specific heat and Gruneisen coefficient depend on both density and temperature.

  9. Lamb waves in plates covered by a two-dimensional phononic film

    NASA Astrophysics Data System (ADS)

    Bonello, Bernard; Charles, Christine; Ganot, François

    2007-01-01

    The propagation of Lamb waves in silicon plates coated by a very thin two-dimensional phononic film is studied experimentally. The dispersion curves are measured using a laser ultrasonics technique. The data are then compared to the calculated dispersion curves of the uncoated silicon plate. The overall shapes of the lower-order symmetric and antisymmetric Lamb modes are not altered by the thin phononic film, except by the appearing of frequency band gaps at the edges of both the first and the second Brillouin zone. The influence of the filling fraction on the magnitude of the gaps is investigated experimentally.

  10. Dispersion of folded phonons in {Si}/{Si xGe1- x} superlattices

    NASA Astrophysics Data System (ADS)

    Brugger, H.; Reiner, H.; Abstreiter, G.; Jorke, H.; Herzog, H. J.; Kasper, E.

    Zone folding effects on acoustic phonons in {Si}/{Si xGe1- x} strained layer superlattices are studied by Raman spectroscopy. A quantitative explanation of the measured frequencies is given in terms of the elastic continuum theory. The scattering wavevector q s is varied by use of different laser lines to probe directly the phonon dispersion curve in the superlattices. For large period samples q s can be shifted through the new Brillouin zone boundary. We report on observation of a finite doublet splitting corresponding to the first zone-edge gap.

  11. Optic phonon bandwidth and lattice thermal conductivity: The case of L i2X (X =O , S, Se, Te)

    NASA Astrophysics Data System (ADS)

    Mukhopadhyay, S.; Lindsay, L.; Parker, D. S.

    2016-06-01

    We examine the lattice thermal conductivities (κl) of L i2X (X =O ,S ,Se ,Te ) using a first-principles Peierls-Boltzmann transport methodology. We find low κl values ranging between 12 and 30 W m-1K-1 despite light Li atoms, a large mass difference between constituent atoms, and tightly bunched acoustic branches, all features that give high κl in other materials including BeSe (630 W m-1K-1 ), BeTe (370 W m-1K-1 ), and cubic BAs (3170 W m-1K-1 ). Together these results suggest a missing ingredient in the basic guidelines commonly used to understand and predict κl. Unlike typical simple systems (e.g., Si, GaAs, SiC), the dominant resistance to heat-carrying acoustic phonons in L i2Se and L i2Te comes from interactions of these modes with two optic phonons. These interactions require significant bandwidth and dispersion of the optic branches, both present in L i2X materials. These considerations are important for the discovery and design of new materials for thermal management applications and give a more comprehensive understanding of thermal transport in crystalline solids.

  12. Optic phonon bandwidth and lattice thermal conductivity: The case of L i 2 X ( X = O , S, Se, Te)

    DOE PAGES

    Mukhopadhyay, S.; Lindsay, L.; Parker, D. S.

    2016-06-07

    Here, we examine the lattice thermal conductivities ( l) of Li 2X (X=O, S, Se, Te) using a first-principles Peierls-Boltzmann transport methodology. We find low l values ranging between 12 and 30 W/m-K despite light Li atoms, a large mass difference between constituent atoms and tightly bunched acoustic branches, all features that give high l in other materials including BeSe (630 W/m -1K -1), BeTe (370 W/m -1K -1) and cubic BAs (3150 W/m -1K -1). Together these results suggest a missing ingredient in the basic guidelines commonly used to understand and predict l. Unlike typical simple systems (e.g., Si,more » GaAs, SiC), the dominant resistance to heat-carrying acoustic phonons in Li 2Se and Li 2Te comes from interactions of these modes with two optic phonons. These interactions require significant bandwidth and dispersion of the optic branches, both present in Li 2X materials. Finally, these considerations are important for the discovery and design of new materials for thermal management applications, and give a more comprehensive understanding of thermal transport in crystalline solids.« less

  13. Phonon coupling to dynamic short-range polar order in a relaxor ferroelectric near the morphotropic phase boundary

    DOE PAGES

    John A. Schneeloch; Xu, Zhijun; Winn, B.; ...

    2015-12-28

    We report neutron inelastic scattering experiments on single-crystal PbMg 1/3Nb 2/3O 3 doped with 32% PbTiO 3, a relaxor ferroelectric that lies close to the morphotropic phase boundary. When cooled under an electric field E∥ [001] into tetragonal and monoclinic phases, the scattering cross section from transverse acoustic (TA) phonons polarized parallel to E weakens and shifts to higher energy relative to that under zero-field-cooled conditions. Likewise, the scattering cross section from transverse optic (TO) phonons polarized parallel to E weakens for energy transfers 4 ≤ ℏω ≤ 9 meV. However, TA and TO phonons polarized perpendicular to E showmore » no change. This anisotropic field response is similar to that of the diffuse scattering cross section, which, as previously reported, is suppressed when polarized parallel to E but not when polarized perpendicular to E. Lastly, our findings suggest that the lattice dynamics and dynamic short-range polar correlations that give rise to the diffuse scattering are coupled.« less

  14. Anisotropic phonon coupling in the relaxor ferroelectric (Na1/2Bi1/2)TiO3 near its high-temperature phase transition

    NASA Astrophysics Data System (ADS)

    Cai, Ling; Toulouse, Jean; Luo, Haosu; Tian, Wei

    2014-08-01

    The lead free relaxor Na1/2Bi1/2TiO3 (NBT) undergoes a structural cubic-to-tetragonal transition near 800 K which is caused by the cooperative rotations of O6 octahedra. These rotations are also accompanied by the displacements of the cations and the formation of the polar nanodomains (PNDs) that are responsible for the characteristic dielectric dispersion of relaxor ferroelectrics. Because of their intrinsic properties, spontaneous polarization, and lack of inversion symmetry, these PNDs are also piezoelectric and can mediate an interaction between polarization and strain or couple the optic and acoustic phonons. Because PNDs introduce a local tetragonal symmetry, the phonon coupling they mediate is found to be anisotropic. In this paper we present inelastic neutron scattering results on coupled transverse acoustic (TA) and transverse optic (TO) phonons in the [110] and [001] directions and across the cubic-tetragonal phase transition at TC˜800 K. The phonon spectra are analyzed using a mode coupling model. In the [110] direction, as in other relaxors and some ferroelectric perovskites, a precipitous drop of the TO phonon into the TA branch or "waterfall" is observed at a certain qwf˜0.14 r.l.u. In the [001] direction, the highly overdamped line shape can be fitted with closely positioned bare mode energies which are largely overlapping along the dispersion curves. Two competing lattice coupling mechanism are proposed to explain these observations.

  15. Wide-Stopband Aperiodic Phononic Filters

    NASA Technical Reports Server (NTRS)

    Rostem, Karwan; Chuss, David; Denis, K. L.; Wollack, E. J.

    2016-01-01

    We demonstrate that a phonon stopband can be synthesized from an aperiodic structure comprising a discrete set of phononic filter stages. Each element of the set has a dispersion relation that defines a complete bandgap when calculated under a Bloch boundary condition. Hence, the effective stopband width in an aperiodic phononic filter (PnF) may readily exceed that of a phononic crystal with a single lattice constant or a coherence scale. With simulations of multi-moded phononic waveguides, we discuss the effects of finite geometry and mode-converting junctions on the phonon transmission in PnFs. The principles described may be utilized to form a wide stopband in acoustic and surface wave media. Relative to the quantum of thermal conductance for a uniform mesoscopic beam, a PnF with a stopband covering 1.6-10.4 GHz is estimated to reduce the thermal conductance by an order of magnitude at 75 mK.

  16. Level repulsion and band sorting in phononic crystals

    NASA Astrophysics Data System (ADS)

    Lu, Yan; Srivastava, Ankit

    2018-02-01

    In this paper we consider the problem of avoided crossings (level repulsion) in phononic crystals and suggest a computationally efficient strategy to distinguish them from normal cross points. This process is essential for the correct sorting of the phononic bands and, subsequently, for the accurate determination of mode continuation, group velocities, and emergent properties which depend on them such as thermal conductivity. Through explicit phononic calculations using generalized Rayleigh quotient, we identify exact locations of exceptional points in the complex wavenumber domain which results in level repulsion in the real domain. We show that in the vicinity of the exceptional point the relevant phononic eigenvalue surfaces resemble the surfaces of a 2 by 2 parameter-dependent matrix. Along a closed loop encircling the exceptional point we show that the phononic eigenvalues are exchanged, just as they are for the 2 by 2 matrix case. However, the behavior of the associated eigenvectors is shown to be more complex in the phononic case. Along a closed loop around an exceptional point, we show that the eigenvectors can flip signs multiple times unlike a 2 by 2 matrix where the flip of sign occurs only once. Finally, we exploit these eigenvector sign flips around exceptional points to propose a simple and efficient method of distinguishing them from normal crosses and of correctly sorting the band-structure. Our proposed method is roughly an order-of-magnitude faster than the zoom-in method and correctly identifies > 96% of the cases considered. Both its speed and accuracy can be further improved and we suggest some ways of achieving this. Our method is general and, as such, would be directly applicable to other eigenvalue problems where the eigenspectrum needs to be correctly sorted.

  17. The effect of driven electron-phonon coupling on the electronic conductance of a polar nanowire

    NASA Astrophysics Data System (ADS)

    Mardaani, Mohammad; Rabani, Hassan; Esmaili, Esmat; Shariati, Ashrafalsadat

    2015-08-01

    A semi-classical model is proposed to explore the effect of electron-phonon coupling on the coherent electronic transport of a polar chain which is confined between two rigid leads in the presence of an external electric field. To this end, we construct the model by means of Green's function technique within the nearest neighbor tight-binding and harmonic approximations. For a time-periodic electric field, the atomic displacements from the equilibrium positions are obtained precisely. The result is then used to compute the electronic transport properties of the chain within the Peierls-type model. The numerical results indicate that the conductance of the system shows interesting behavior in some special frequencies. For each special frequency, there is an electronic quasi-state in which the scattering of electrons by vibrating atoms reaches maximum. The system electronic conductance decreases dramatically at the strong electron-phonon couplings and low electron energies. In the presence of damping forces, the electron-phonon interaction has a less significant effect on the conductance.

  18. Self-consistency in the phonon space of the particle-phonon coupling model

    NASA Astrophysics Data System (ADS)

    Tselyaev, V.; Lyutorovich, N.; Speth, J.; Reinhard, P.-G.

    2018-04-01

    In the paper the nonlinear generalization of the time blocking approximation (TBA) is presented. The TBA is one of the versions of the extended random-phase approximation (RPA) developed within the Green-function method and the particle-phonon coupling model. In the generalized version of the TBA the self-consistency principle is extended onto the phonon space of the model. The numerical examples show that this nonlinear version of the TBA leads to the convergence of results with respect to enlarging the phonon space of the model.

  19. Ultralow Thermal Conductivity in Diamond-Like Semiconductors: Selective Scattering of Phonons from Antisite Defects

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gorai, Prashun; Stevanovic, Vladan; Toberer, Eric

    In this work, we discover anomalously low lattice thermal conductivity (<0.25 W/mK at 300 degrees C) in the Hg-containing quaternary diamond-like semiconductors within the Cu2IIBIVTe4 (IIB: Zn, Cd, Hg) (IV: Si, Ge, Sn) set of compositions. Using high-temperature X-ray diffraction, resonant ultrasound spectroscopy, and transport properties, we uncover the critical role of the antisite defects HgCu and CuHg on phonon transport within the Hg-containing systems. Despite the differences in chemistry between Hg and Cu, the high concentration of these antisite defects emerges from the energetic proximity of the kesterite and stannite cation motifs. Our phonon calculations reveal that heavier groupmore » IIB elements not only introduce low-lying optical modes, but the subsequent antisite defects also possess unusually strong point defect phonon scattering power. The scattering strength stems from the fundamentally different vibrational modes supported by the constituent elements (e.g., Hg and Cu). Despite the significant impact on the thermal properties, antisite defects do not negatively impact the mobility (>50 cm2/(Vs) at 300 degrees C) in Hg-containing systems, leading to predicted zT > 1.5 in Cu2HgGeTe4 and Cu2HgSnTe4 under optimized doping. In addition to introducing a potentially new p-type thermoelectric material, this work provides (1) a strategy to use the proximity of phase transitions to increase point defect phonon scattering, and (2) a means to quantify the power of a given point defect through inexpensive phonon calculations.« less

  20. Anomalous Phase Change in [(GeTe)2/(Sb2Te3)]20 Superlattice Observed by Coherent Phonon Spectroscopy

    NASA Astrophysics Data System (ADS)

    Makino, K.; Saito, Y.; Mitrofanov, K.; Tominaga, J.; Kolobov, A. V.; Nakano, T.; Fons, P.; Hase, M.

    The temperature-dependent ultrafast coherent phonon dynamics of topological (GeTe)2/(Sb2Te3) super lattice phase change memory material was investigated. By comparing with Ge-Sb-Te alloy, a clear contrast suggesting the unique phase change behavior was found.

  1. Phonon characteristics of high {Tc} superconductors from neutron Doppler broadening measurements

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Trela, W.J.; Kwei, G.H.; Lynn, J.E.

    Statistical information on the phonon frequency spectrum of materials can be measured by neutron transmission techniques if they contain nuclei with low energy resonances, narrow enough to be Doppler-broadened, in their neutron cross sections. The authors have carried out some measurements using this technique for materials of the lanthanum barium cuprate class, La{sub 2{minus}x}Ba{sub x}CuO{sub 4}. Two samples with slightly different concentrations of oxygen, one being superconductive, the other not, were examined. Pure lanthanum cuprate was also measured. Lanthanum, barium and copper all have relatively low energy narrow resonances. Thus it should be possible to detect differences in the phononsmore » carried by different kinds of atom in the lattice. Neutron cross section measurements have been made with high energy resolution and statistical precision on the 59m flight path of LANSCE, the pulsed spallation neutron source at Los Alamos National Laboratory. Measurements on all three materials were made over a range of temperatures from 15K to 300K, with small steps through the critical temperature region near 27K. No significant changes in the mean phonon energy of the lanthanum atoms were observed near the critical temperature of the super-conducting material. It appears however that the mean phonon energy of lanthanum in the superconductor is considerably higher than that in the non-superconductors. The samples used in this series of experiments were too thin in barium and copper to determine anything significant about their phonon spectra.« less

  2. Dielectric and phonon properties of the multiferroic ferrimagnet Cu{sub 2}OSeO{sub 3}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Apostolova, I. N., E-mail: inaapos@abv.bg

    2014-02-14

    We propose a microscopic model in order to study the multiferroic properties of Cu{sub 2}OSeO{sub 3} taking into account the ferrimagnetic interaction, frustration, linear magnetoelectric (ME) coupling, and anharmonic spin-phonon interaction. We have shown that the dielectric constant and the phonon energy and damping have a kink near the magnetic phase transition T{sub C} = 58 K which disappears with increasing of an external magnetic field. This behavior is an evidence for a strong ME coupling and in qualitative agreement with the experimental data.

  3. Size-Dependent Coherent-Phonon Plasmon Modulation and Deformation Characterization in Gold Bipyramids and Nanojavelins

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kirschner, Matthew S.; Lethiec, Clotilde M.; Lin, Xiao-Min

    2016-04-04

    Localized surface plasmon resonances (LSPRs) arising from metallic nanoparticles offer an array of prospective applications that range from chemical sensing to biotherapies. Bipyramidal particles exhibit particularly narrow ensemble LSPR resonances that reflect small dispersity of size and shape but until recently were only synthetically accessible over a limited range of sizes with corresponding aspect ratios. Narrow size dispersion offers the opportunity to examine ensemble dynamical phenomena such as coherent phonons that induce periodic oscillations of the LSPR energy. Here, we characterize transient optical behavior of a large range of gold bipyramid sizes, as well as higher aspect ratio nanojavelin ensemblesmore » with specific attention to the lowest-order acoustic phonon mode of these nanoparticles. We report coherent phonon-driven oscillations of the LSPR position for particles with resonances spanning 670 to 1330 nm. Nanojavelins were shown to behave similarly to bipyramids but offer the prospect of separate control over LSPR energy and coherent phonon oscillation period. We develop a new methodology for quantitatively measuring mechanical expansion caused by photogenerated coherent phonons. Using this method, we find an elongation of approximately 1% per photon absorbed per unit cell and that particle expansion along the lowest frequency acoustic phonon mode is linearly proportional to excitation fluence for the fluence range studied. These characterizations provide insight regarding means to manipulate phonon period and transient mechanical deformation.« less

  4. Electrons and phonons in layered and monolayer vanadium pentoxide

    NASA Astrophysics Data System (ADS)

    Lambrecht, Walter R. L.

    Vanadium pentoxide (V2O5) is a layered material with the potential for interesting new properties when made in 2D mono- or few-layer form. Its band structure is characterized by a split-off conduction band. The lowest conduction band is separated from the rest of the conduction bands by about 1 eV and consists of V-dxy orbitals, non-bonding to the oxygens by symmetry. This narrow band has dispersion essentially along the direction of chains occurring in the layer. When this band becomes half-filled by doping, spin-splitting occurs accompanied by an antiferromagnetic coupling between nearest neighbors along the chain direction. This situation is well known to occur in the so-called ladder compound NaV2O5 , which was extensively studied in the late 90s as a potential spin-Peierls or charge ordering compound. However, the monolayer form of V2O5 may allow for other ways to control the doping by gating, removing vanadyl oxygens, adsorption of alkali metals, nanoribbon formation, etc. Our calculations predict a switch from antiferromagnetic to ferromagnetic coupling for doping slightly less than half filling of the split-off band. In this talk we will discuss our recent work on the electronic band structure of both bulk and monolayer V2O5 as well as the phonons. We find that the quasi-particle self-consistent GW method strongly overestimates the band gap. Lattice polarization corrections of the screening are required because of the large LO/TO phonon frequency ratios. Excitonic effects may also be expected to be fairly large. We find that some of the vibrational modes, notably the vanadyl-oxygen bond stretch perpendicular to the layer, unexpectedly shows a strong blue shift. This is explained in terms of reduced screening affecting the long-range dipole components of the force constants. Supported by AFOSR and DOE. Work done with Churna Bhandari, Mark van Schilfgaarde and Andre Schleiffe.

  5. Metric for strong intrinsic fourth-order phonon anharmonicity

    NASA Astrophysics Data System (ADS)

    Yue, Sheng-Ying; Zhang, Xiaoliang; Qin, Guangzhao; Phillpot, Simon R.; Hu, Ming

    2017-05-01

    Under the framework of Taylor series expansion for potential energy, we propose a simple and robust metric, dubbed "regular residual analysis," to measure the fourth-order phonon anharmonicity in crystals. The method is verified by studying the intrinsic strong higher-order anharmonic effects in UO2 and CeO2. Comparison of the thermal conductivity results, which calculated by the anharmonic lattice dynamics method coupled with the Boltzmann transport equation and the spectral energy density method coupled with ab initio molecular dynamics simulation further validates our analysis. Analysis of the bulk Si and Ge systems confirms that the fourth-order phonon anharmonicity is enhanced and cannot be neglected at high enough temperatures, which agrees with a previous study where the four-phonon scattering was explicitly determined. This metric will facilitate evaluating and interpreting the lattice thermal conductivity of crystals with strong fourth-order phonon anharmonicity.

  6. The influence of charge and magnetic order on polaron and acoustic phonon dynamics in LuFe 2O 4

    DOE PAGES

    Lee, J.; Trugman, S. A.; Zhang, C. L.; ...

    2015-07-27

    Femtosecond optical pump-probe spectroscopy is used to reveal the influence of charge and magnetic order on polarondynamics and coherent acoustic phonon oscillations in single crystals of charge-ordered, ferrimagnetic LuFe 2O 4. We experimentally observed the influence of magnetic order on polarondynamics. We also observed a correlation between charge order and the amplitude of the acoustic phonon oscillations, due to photoinduced changes in the lattice constant that originate from the photoexcited electrons. As a result, this provides insight into the general behavior of coherent acoustic phonon oscillations in charge-ordered materials.

  7. Vibrational properties, phonon spectrum and related thermal parameters of β-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine: a theoretical study.

    PubMed

    Qian, Wen; Zhang, Weibin; Zong, Hehou; Gao, Guofang; Zhou, Yang; Zhang, Chaoyang

    2016-01-01

    The vibrational spectrum, phonon dispersion curve, and phonon density of states (DOS) of β-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (β-HMX) crystal were obtained by molecular simulation and calculations. As results, it was found that the peaks at low frequency (0-2.5 THz) are comparable with the experimental Terahertz absorption and the molecular vibrational modes are in agreement with previous reports. Thermodynamic properties including Gibbs free energy, enthalpy, and heat capacity as functions of temperature were obtained based on the calculated phonon spectrum. The heat capacity at normal temperature was calculated using linear fitting method, with a result consistent with experiments. Graphical Abstract Phonon spectrum and heat capacity of β-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine from DFT calculation.

  8. Layer-Dependent Ultrafast Carrier and Coherent Phonon Dynamics in Black Phosphorus.

    PubMed

    Miao, Xianchong; Zhang, Guowei; Wang, Fanjie; Yan, Hugen; Ji, Minbiao

    2018-05-09

    Black phosphorus is a layered semiconducting material, demonstrating strong layer-dependent optical and electronic properties. Probing the photophysical properties on ultrafast time scales is of central importance in understanding many-body interactions and nonequilibrium quasiparticle dynamics. Here, we applied temporally, spectrally, and spatially resolved pump-probe microscopy to study the transient optical responses of mechanically exfoliated few-layer black phosphorus, with layer numbers ranging from 2 to 9. We have observed layer-dependent resonant transient absorption spectra with both photobleaching and red-shifted photoinduced absorption features, which could be attributed to band gap renormalization of higher subband transitions. Surprisingly, coherent phonon oscillations with unprecedented intensities were observed when the probe photons were in resonance with the optical transitions, which correspond to the low-frequency layer-breathing mode. Our results reveal strong Coulomb interactions and electron-phonon couplings in photoexcited black phosphorus, providing important insights into the ultrafast optical, nanomechanical, and optoelectronic properties of this novel two-dimensional material.

  9. Vibrational mode frequencies of H2S and H2O adsorbed on Ge(0 0 1)-(2 × 1) surfaces

    NASA Astrophysics Data System (ADS)

    Hartnett, M.; Fahy, S.

    2015-02-01

    The equilibrium geometry and vibrational modes of H2S and H2O-terminated Ge(0 0 1)-(2 × 1) surfaces are calculated in a supercell approach using first-principles density functional theory in the local density (LDA), generalized gradient (GGA) approximations and van der Waals (vdW) interactions. Mode frequencies are found using the frozen phonon method. For the H2S-passivated surface, the calculated frequencies in LDA (GGA) are 2429 cm-1 (2490) for the Hsbnd S stretch mode, 712 cm-1 (706) for the Hsbnd S bond bending mode, 377 cm-1 (36) for the Gesbnd S stretch mode and 328 cm-1 (337) for Hsbnd S wag mode. Frequencies for the H2O passivated surface are 3590 cm-1 (3600) for the Hsbnd O stretch mode, 921 cm-1 (947) for the bending mode, 609 cm-1 (559) for the Gesbnd O stretch, 1995 cm-1 (1991) for the Gesbnd H stretch mode, 498 cm-1 (478) for the Gesbnd H bending mode and 342 cm-1 (336) for the Hsbnd O wag mode. The differences between the functionals including vdW terms and the LDA or GGA are less than the differences between LDA and GGA for the vibrational mode frequencies.

  10. Evidence for anisotropic polar nanoregions in relaxor Pb(Mg1/3Nb2/3)O3: A neutron study of the elastic constants and anomalous TA phonon damping in PMN

    NASA Astrophysics Data System (ADS)

    Stock, C.; Gehring, P. M.; Hiraka, H.; Swainson, I.; Xu, Guangyong; Ye, Z.-G.; Luo, H.; Li, J.-F.; Viehland, D.

    2012-09-01

    We use neutron inelastic scattering to characterize the acoustic phonons in the relaxor Pb(Mg1/3Nb2/3)O3 (PMN) and demonstrate the presence of a highly anisotropic damping mechanism that is directly related to short-range polar correlations. For a large range of temperatures above Tc˜210 K, where dynamic, short-range polar correlations are present, acoustic phonons propagating along [11¯0] and polarized along [110] (TA2 phonons) are overdamped and softened across most of the Brillouin zone. By contrast, acoustic phonons propagating along [100] and polarized along [001] (TA1 phonons) are overdamped and softened for a more limited range of wave vectors q. The anisotropy and temperature dependence of the acoustic phonon energy linewidth Γ are directly correlated with neutron diffuse scattering cross section, indicating that polar nanoregions are the cause of the anomalous behavior. The damping and softening vanish for q→0, i.e., for long-wavelength acoustic phonons near the zone center, which supports the notion that the anomalous damping is a result of the coupling between the relaxational component of the diffuse scattering and the harmonic TA phonons. Therefore, these effects are not due to large changes in the elastic constants with temperature because the elastic constants correspond to the long-wavelength limit. We compare the elastic constants we measure to those from Brillouin scattering experiments and to values reported for pure PbTiO3. We show that while the values of C44 are quite similar, those for C11 and C12 are significantly less in PMN and result in a softening of (C11-C12) over PbTiO3. The elastic constants also show an increased elastic anisotropy [2C44/(C11-C12)] in PMN versus that in PbTiO3. These results are suggestive of an instability to TA2 acoustic fluctuations in PMN and other relaxor ferroelectrics. We discuss our results in the context of the current debate over the “waterfall” effect and show that they are inconsistent with

  11. Sound and heat revolutions in phononics

    NASA Astrophysics Data System (ADS)

    Maldovan, Martin

    2013-11-01

    The phonon is the physical particle representing mechanical vibration and is responsible for the transmission of everyday sound and heat. Understanding and controlling the phononic properties of materials provides opportunities to thermally insulate buildings, reduce environmental noise, transform waste heat into electricity and develop earthquake protection. Here I review recent progress and the development of new ideas and devices that make use of phononic properties to control both sound and heat. Advances in sonic and thermal diodes, optomechanical crystals, acoustic and thermal cloaking, hypersonic phononic crystals, thermoelectrics, and thermocrystals herald the next technological revolution in phononics.

  12. Low-energy phonon dispersion in LaFe4Sb12

    NASA Astrophysics Data System (ADS)

    Leithe-Jasper, Andreas; Boehm, Martin; Mutka, Hannu; Koza, Michael M.

    We studied the vibrational dynamics of a single crystal of LaFe4Sb12 by three-axis inelastic neutron spectroscopy. The dispersion of phonons with wave vectors q along [ xx 0 ] and [ xxx ] directions in the energy range of eigenmodes with high amplitudes of lanthanum vibrations, i.e., at ℏω < 12 meV is identified. Symmetry-avoided anticrossing dispersion of phonons is established in both monitored directions and distinct eigenstates at high-symmetry points and at the Brillouin-zone center are discriminated. The experimentally derived phonon dispersion and intensities are compared with and backed up by ab initio lattice dynamics calculations. results of the computer model match well with the experimental data.

  13. Coherent Manipulation of Phonons at the Nanoscale

    NASA Astrophysics Data System (ADS)

    Yu, Shangjie; Ouyang, Min

    Phonons play a key role in almost every physical process, including for example dephasing phenomena of electronic quantum states, electric and heat transports. Therefore, understanding and even manipulating phonons represent a pre-requisite for tailoring phonons-mediated physical processes. In this talk, we will first present how to employ ultrafast optical spectroscopy to probe acoustic phonon modes in colloidal metallic nanoparticles. Furthermore, we have developed various phonon manipulation schemes that can be achieved by a train of optical pulses in time domain to allow selective control of phonon modes. Our theoretical modeling and simulation demonstrates an excellent agreement with experimental results, thus providing a future guideline on more complex phononic control at the nanoscale.

  14. Phonon-assisted indirect transitions in angle-resolved photoemission spectra of graphite and graphene

    NASA Astrophysics Data System (ADS)

    Ayria, Pourya; Tanaka, Shin-ichiro; Nugraha, Ahmad R. T.; Dresselhaus, Mildred S.; Saito, Riichiro

    2016-08-01

    Indirect transitions of electrons in graphene and graphite are investigated by means of angle-resolved photoemission spectroscopy (ARPES) with several different incident photon energies and light polarizations. The theoretical calculations of the indirect transition for graphene and for a single crystal of graphite are compared with the experimental measurements for highly-oriented pyrolytic graphite and a single crystal of graphite. The dispersion relations for the transverse optical (TO) and the out-of-plane longitudinal acoustic (ZA) phonon modes of graphite and the TO phonon mode of graphene can be extracted from the inelastic ARPES intensity. We find that the TO phonon mode for k points along the Γ -K and K -M -K' directions in the Brillouin zone can be observed in the ARPES spectra of graphite and graphene by using a photon energy ≈11.1 eV. The relevant mechanism in the ARPES process for this case is the resonant indirect transition. On the other hand, the ZA phonon mode of graphite can be observed by using a photon energy ≈6.3 eV through a nonresonant indirect transition, while the ZA phonon mode of graphene within the same mechanism should not be observed.

  15. Ordinary dielectric function of corundumlike α -Ga2O3 from 40 meV to 20 eV

    NASA Astrophysics Data System (ADS)

    Feneberg, Martin; Nixdorf, Jakob; Neumann, Maciej D.; Esser, Norbert; Artús, Lluis; Cuscó, Ramon; Yamaguchi, Tomohiro; Goldhahn, Rüdiger

    2018-04-01

    The linear optical response of metastable α -Ga2O3 is investigated by spectroscopic ellipsometry. We determine the ordinary dielectric function from lattice vibrations up to the vacuum ultraviolet spectral range at room temperature for a sample with a (0001 ) surface. Three out of four Eu infrared-active phonon modes are unambiguously determined, and their frequencies are in good agreement with density functional theory calculations. The dispersion of the refractive index in the visible and ultraviolet part of the spectrum is determined. High-energy interband transitions are characterized up to 20 eV . By comparison with the optical response of α -Al2O3 and with theoretical results, a tentative assignment of interband transitions is proposed.

  16. Phonon-assisted changes in charge states of deep level defects in germanium

    NASA Astrophysics Data System (ADS)

    Markevich, A. V.; Litvinov, V. V.; Emtsev, V. V.; Markevich, V. P.; Peaker, A. R.

    2006-04-01

    Electronic processes associated with changes in the charge states of the vacancy-oxygen center (VO or A center) and vacancy-group-V-impurity atom (P, As, Sb or Bi) pairs (E centers) in irradiated germanium crystals have been studied using deep level transient spectroscopy (DLTS), high-resolution Laplace DLTS and Hall effect measurements. It is found that the electron emission and capture processes related to transitions between the doubly and the singly negatively charged states of the A center and the E centers in Ge are phonon-assisted, i.e., they are accompanied by significant vibrations and re-arrangements of atoms in the vicinity of the defects. Manifestations of the phonon involvements are: (i) temperature-dependent electron capture cross-sections which are well described in the frame of the multi-phonon-assisted capture model; (ii) large changes in entropy related to the ionization of the defects and, associated with these, temperature-dependent positions of energy levels; and (iii) electron emission via phonon-assisted tunneling upon the application of electric field. These effects have been considered in detail for the vacancy-oxygen and the vacancy-donor complexes. On the basis of a combined analysis of the electronic processes a configuration-coordinate diagram of the acceptor states of the A and E centers is plotted. It is found that changes in the entropy of ionization and the energy for electron emission for these traps follow the empirical Meyer-Neldel rule. A model based on multi-phonon-assisted carrier emission from defects is adapted for the explanation of the origin of this rule for the case of electronic processes in Ge.

  17. On the interplay between phonon-boundary scattering and phonon-point-defect scattering in SiGe thin films

    NASA Astrophysics Data System (ADS)

    Iskandar, A.; Abou-Khalil, A.; Kazan, M.; Kassem, W.; Volz, S.

    2015-03-01

    This paper provides theoretical understanding of the interplay between the scattering of phonons by the boundaries and point-defects in SiGe thin films. It also provides a tool for the design of SiGe-based high-efficiency thermoelectric devices. The contributions of the alloy composition, grain size, and film thickness to the phonon scattering rate are described by a model for the thermal conductivity based on the single-mode relaxation time approximation. The exact Boltzmann equation including spatial dependence of phonon distribution function is solved to yield an expression for the rate at which phonons scatter by the thin film boundaries in the presence of the other phonon scattering mechanisms. The rates at which phonons scatter via normal and resistive three-phonon processes are calculated by using perturbation theories with taking into account dispersion of confined acoustic phonons in a two dimensional structure. The vibrational parameters of the model are deduced from the dispersion of confined acoustic phonons as functions of temperature and crystallographic direction. The accuracy of the model is demonstrated with reference to recent experimental investigations regarding the thermal conductivity of single-crystal and polycrystalline SiGe films. The paper describes the strength of each of the phonon scattering mechanisms in the full temperature range. Furthermore, it predicts the alloy composition and film thickness that lead to minimum thermal conductivity in a single-crystal SiGe film, and the alloy composition and grain size that lead to minimum thermal conductivity in a polycrystalline SiGe film.

  18. Excellent Thermoelectric Properties in monolayer WSe2 Nanoribbons due to Ultralow Phonon Thermal Conductivity.

    PubMed

    Wang, Jue; Xie, Fang; Cao, Xuan-Hao; An, Si-Cong; Zhou, Wu-Xing; Tang, Li-Ming; Chen, Ke-Qiu

    2017-01-25

    By using first-principles calculations combined with the nonequilibrium Green's function method and phonon Boltzmann transport equation, we systematically investigate the influence of chirality, temperature and size on the thermoelectric properties of monolayer WSe 2 nanoribbons. The results show that the armchair WSe 2 nanoribbons have much higher ZT values than zigzag WSe 2 nanoribbons. The ZT values of armchair WSe 2 nanoribbons can reach 1.4 at room temperature, which is about seven times greater than that of zigzag WSe 2 nanoribbons. We also find that the ZT values of WSe 2 nanoribbons increase first and then decrease with the increase of temperature, and reach a maximum value of 2.14 at temperature of 500 K. It is because the total thermal conductance reaches the minimum value at 500 K. Moreover, the impact of width on the thermoelectric properties in WSe 2 nanoribbons is not obvious, the overall trend of ZT value decreases lightly with the increasing temperature. This trend of ZT value originates from the almost constant power factor and growing phonon thermal conductance.

  19. almaBTE : A solver of the space-time dependent Boltzmann transport equation for phonons in structured materials

    NASA Astrophysics Data System (ADS)

    Carrete, Jesús; Vermeersch, Bjorn; Katre, Ankita; van Roekeghem, Ambroise; Wang, Tao; Madsen, Georg K. H.; Mingo, Natalio

    2017-11-01

    almaBTE is a software package that solves the space- and time-dependent Boltzmann transport equation for phonons, using only ab-initio calculated quantities as inputs. The program can predictively tackle phonon transport in bulk crystals and alloys, thin films, superlattices, and multiscale structures with size features in the nm- μm range. Among many other quantities, the program can output thermal conductances and effective thermal conductivities, space-resolved average temperature profiles, and heat-current distributions resolved in frequency and space. Its first-principles character makes almaBTE especially well suited to investigate novel materials and structures. This article gives an overview of the program structure and presents illustrative examples for some of its uses. PROGRAM SUMMARY Program Title:almaBTE Program Files doi:http://dx.doi.org/10.17632/8tfzwgtp73.1 Licensing provisions: Apache License, version 2.0 Programming language: C++ External routines/libraries: BOOST, MPI, Eigen, HDF5, spglib Nature of problem: Calculation of temperature profiles, thermal flux distributions and effective thermal conductivities in structured systems where heat is carried by phonons Solution method: Solution of linearized phonon Boltzmann transport equation, Variance-reduced Monte Carlo

  20. Formation of Bragg band gaps in anisotropic phononic crystals analyzed with the empty lattice model

    DOE PAGES

    Wang, Yan -Feng; Maznev, Alexei; Laude, Vincent

    2016-05-11

    Bragg band gaps of phononic crystals generally, but not always, open at Brillouin zone boundaries. The commonly accepted explanation stems from the empty lattice model: assuming a small material contrast between the constituents of the unit cell, avoided crossings in the phononic band structure appear at frequencies and wavenumbers corresponding to band intersections; for scalar waves the lowest intersections coincide with boundaries of the first Brillouin zone. However, if a phononic crystal contains elastically anisotropic materials, its overall symmetry is not dictated solely by the lattice symmetry. We construct an empty lattice model for phononic crystals made of isotropic andmore » anisotropic materials, based on their slowness curves. We find that, in the anisotropic case, avoided crossings generally do not appear at the boundaries of traditionally defined Brillouin zones. Furthermore, the Bragg "planes" which give rise to phononic band gaps, are generally not flat planes but curved surfaces. Lastly, the same is found to be the case for avoided crossings between shear (transverse) and longitudinal bands in the isotropic case.« less

  1. Formation of Bragg band gaps in anisotropic phononic crystals analyzed with the empty lattice model

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wang, Yan -Feng; Maznev, Alexei; Laude, Vincent

    Bragg band gaps of phononic crystals generally, but not always, open at Brillouin zone boundaries. The commonly accepted explanation stems from the empty lattice model: assuming a small material contrast between the constituents of the unit cell, avoided crossings in the phononic band structure appear at frequencies and wavenumbers corresponding to band intersections; for scalar waves the lowest intersections coincide with boundaries of the first Brillouin zone. However, if a phononic crystal contains elastically anisotropic materials, its overall symmetry is not dictated solely by the lattice symmetry. We construct an empty lattice model for phononic crystals made of isotropic andmore » anisotropic materials, based on their slowness curves. We find that, in the anisotropic case, avoided crossings generally do not appear at the boundaries of traditionally defined Brillouin zones. Furthermore, the Bragg "planes" which give rise to phononic band gaps, are generally not flat planes but curved surfaces. Lastly, the same is found to be the case for avoided crossings between shear (transverse) and longitudinal bands in the isotropic case.« less

  2. Unusual exciton–phonon interactions at van der Waals engineered interfaces

    DOE PAGES

    Chow, Colin M.; Yu, Hongyi; Jones, Aaron M.; ...

    2017-01-13

    Raman scattering is a ubiquitous phenomenon in light–matter interactions, which reveals a material’s electronic, structural, and thermal properties. Controlling this process would enable new ways of studying and manipulating fundamental material properties. Here, we report a novel Raman scattering process at the interface between different van der Waals (vdW) materials as well as between a monolayer semiconductor and 3D crystalline substrates. We find that interfacing a WSe 2 monolayer with materials such as SiO 2, sapphire, and hexagonal boron nitride (hBN) enables Raman transitions with phonons that are either traditionally inactive or weak. This Raman scattering can be amplified bymore » nearly 2 orders of magnitude when a foreign phonon mode is resonantly coupled to the A exciton in WSe 2 directly or via an A 1' optical phonon from WSe 2. We further showed that the interfacial Raman scattering is distinct between hBN-encapsulated and hBN-sandwiched WSe 2 sample geometries. Finally, this cross-platform electron–phonon coupling, as well as the sensitivity of 2D excitons to their phononic environments, will prove important in the understanding and engineering of optoelectronic devices based on vdW heterostructures.« less

  3. Unusual exciton–phonon interactions at van der Waals engineered interfaces

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chow, Colin M.; Yu, Hongyi; Jones, Aaron M.

    Raman scattering is a ubiquitous phenomenon in light–matter interactions, which reveals a material’s electronic, structural, and thermal properties. Controlling this process would enable new ways of studying and manipulating fundamental material properties. Here, we report a novel Raman scattering process at the interface between different van der Waals (vdW) materials as well as between a monolayer semiconductor and 3D crystalline substrates. We find that interfacing a WSe 2 monolayer with materials such as SiO 2, sapphire, and hexagonal boron nitride (hBN) enables Raman transitions with phonons that are either traditionally inactive or weak. This Raman scattering can be amplified bymore » nearly 2 orders of magnitude when a foreign phonon mode is resonantly coupled to the A exciton in WSe 2 directly or via an A 1' optical phonon from WSe 2. We further showed that the interfacial Raman scattering is distinct between hBN-encapsulated and hBN-sandwiched WSe 2 sample geometries. Finally, this cross-platform electron–phonon coupling, as well as the sensitivity of 2D excitons to their phononic environments, will prove important in the understanding and engineering of optoelectronic devices based on vdW heterostructures.« less

  4. Superradiance-Driven Phonon Laser

    NASA Astrophysics Data System (ADS)

    Jiang, Ya-Jing; Lü, Hao; Jing, Hui

    2018-04-01

    We propose to enhance the generation of a phonon laser by exploiting optical superradiance. In our scheme, the optomechanical cavity contains a movable membrane, which supports a mechanical mode, and the superradiance cavity can generate the coherent collective light emissions by applying a transverse pump to an ultracold intracavity atomic gas. The superradiant emission turns out to be capable of enhancing the phonon laser performance. This indicates a new way to operate a phonon laser with the assistance of coherent atomic gases trapped in a cavity or lattice potentials.

  5. Electron-Phonon Systems on a Universal Quantum Computer

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Macridin, Alexandru; Spentzouris, Panagiotis; Amundson, James

    We present an algorithm that extends existing quantum algorithms forsimulating fermion systems in quantum chemistry and condensed matter physics toinclude phonons. The phonon degrees of freedom are represented with exponentialaccuracy on a truncated Hilbert space with a size that increases linearly withthe cutoff of the maximum phonon number. The additional number of qubitsrequired by the presence of phonons scales linearly with the size of thesystem. The additional circuit depth is constant for systems with finite-rangeelectron-phonon and phonon-phonon interactions and linear for long-rangeelectron-phonon interactions. Our algorithm for a Holstein polaron problem wasimplemented on an Atos Quantum Learning Machine (QLM) quantum simulatoremployingmore » the Quantum Phase Estimation method. The energy and the phonon numberdistribution of the polaron state agree with exact diagonalization results forweak, intermediate and strong electron-phonon coupling regimes.« less

  6. Ab initio study of structural, elastic, and vibrational properties of transition-metal disilicides NbSi2 and TaSi2 in hexagonal C40 structure

    NASA Astrophysics Data System (ADS)

    Ertürk, Esra; Gürel, Tanju

    2018-05-01

    We present an ab initio study of structural, elastic and vibrational properties of transition-metal disilicides NbSi2 and TaSi2. The calculations have been carried out within the density-functional theory and linear-response formalism using norm-conserving pseudopotentials and a plane-wave basis. The calculated lattice parameters, bulk moduli, and elastic constants agree well with previous theoretical and experimental results. The calculated phonon frequencies at the Brillouin zone center are in good agreement with the reported Raman spectra and provide reference values for the future infrared and neutron phonon measurements. Phonon dispersion relations, mode Grüneisen parameters, and total and partial phonon density of states are also discussed. Mode Grüneisen parameters of NbSi2 and TaSi2 at Brillouin zone center show similar trends and all values are found to be positive. From phonon dispersion relations and phonon density of states, we have found a gap around 200 cm-1 for TaSi2, where the frequencies below this gap mainly belong to Ta vibrations and frequencies above the gap is mainly related with Si vibrations. In the case of NbSi2, there is no such gap and both Nb and Si atoms contribute to the phonon density of states in an energy range of 150-270 cm-1.

  7. Exploring the effect of hole localization on the charge-phonon dynamics of hole doped delafossite

    NASA Astrophysics Data System (ADS)

    Mazumder, Nilesh; Mandal, Prasanta; Roy, Rajarshi; Ghorai, Uttam Kumar; Saha, Subhajit; Chattopadhyay, Kalyan Kumar

    2017-09-01

    For weak or moderate doping, electrical measurement is not suitable for detecting changes in the charge localization inside a semiconductor. Here, to investigate the nature of charge-phonon coupling in the presence of gradually delocalized holes within a weak doping regime (~1016 cm-3), we examine the temperature dependent Raman spectra (303-817 K) of prototype hole doped delafossite CuC{{r}1-x}M{{g}x}{{O}2-y}{{S}y} (x  =  0/0.03, y  =  0/0.01). For both {{E}g} and {{A}1g} phonons, negative lineshape asymmetry and relative thermal hardening are distinctly observed upon SO× and (MgCr\\bullet+SO×) doping. Using Allen formalism, charge density of states at the Fermi level per spin and molecule, and charge delocalization associated to a - b plane, are estimated to increase appreciably upon codoping compared to the c -axis. We delineate the interdependence between charge-phonon coupling constant (λ ) and anharmonic phonon lifetime ({τanh} ), and deduce that excitation of delocalized holes weakly coupled with phonons of larger {τanh} is the governing feature of observed Fano asymmetry (q ) reversal.

  8. Enhanced spin-phonon-electronic coupling in a 5d oxide

    DOE PAGES

    Calder, Stuart A.; Yamaura, K.; Tsujimoto, Y.; ...

    2015-11-26

    Enhanced coupling of material properties offers new fundamental insights and routes to multifunctional devices. In this context 5d oxides provide new paradigms of cooperative interactions that drive novel emergent behaviour. This is exemplified in osmates that host metal insulator transitions where magnetic order appears intimately entwined. Here we consider such a material, the 5d perovskite NaOsO 3, and observe a coupling between spin and phonon manifested in a frequency shift of 40 cm 1, the largest measured in any material. The anomalous modes are shown to involve solely Os O interactions and magnetism is revealed as the driving microscopic mechanismmore » for the phonon renormalization. The magnitude of the coupling in NaOsO 3 is primarily due to a property common to all 5d materials: the large spatial extent of the ion. This allows magnetism to couple to phonons on an unprecedented scale and in general offers multiple new routes to enhanced coupled phenomena in 5d materials.« less

  9. Phonon transport in single-layer boron nanoribbons

    NASA Astrophysics Data System (ADS)

    Zhang, Zhongwei; Xie, Yuee; Peng, Qing; Chen, Yuanping

    2016-11-01

    Inspired by the successful synthesis of three two-dimensional (2D) allotropes, the boron sheet has recently been one of the hottest 2D materials around. However, to date, phonon transport properties of these new materials are still unknown. By using the non-equilibrium Green’s function (NEGF) combined with the first principles method, we study ballistic phonon transport in three types of boron sheets; two of them correspond to the structures reported in the experiments, while the third one is a stable structure that has not been synthesized yet. At room temperature, the highest thermal conductance of the boron nanoribbons is comparable with that of graphene, while the lowest thermal conductance is less than half of graphene’s. Compared with graphene, the three boron sheets exhibit diverse anisotropic transport characteristics. With an analysis of phonon dispersion, bonding charge density, and simplified models of atomic chains, the mechanisms of the diverse phonon properties are discussed. Moreover, we find that many hybrid patterns based on the boron allotropes can be constructed naturally without doping, adsorption, and defects. This provides abundant nanostructures for thermal management and thermoelectric applications.

  10. Exciton-phonon cooperative mechanism of the triple-q charge-density-wave and antiferroelectric electron polarization in TiSe2

    NASA Astrophysics Data System (ADS)

    Kaneko, Tatsuya; Ohta, Yukinori; Yunoki, Seiji

    2018-04-01

    We investigate the microscopic mechanisms of the charge-density-wave (CDW) formation in a monolayer TiSe2 using a realistic multiorbital d -p model with electron-phonon coupling and intersite Coulomb (excitonic) interactions. First, we estimate the tight-binding bands of Ti 3 d and Se 4 p orbitals in the monolayer TiSe2 on the basis of the first-principles band-structure calculations. We thereby show orbital textures of the undistorted band structure near the Fermi level. Next, we derive the electron-phonon coupling using the tight-binding approximation and show that the softening occurs in the transverse phonon mode at the M point of the Brillouin zone. The stability of the triple-q CDW state is thus examined to show that the transverse phonon modes at the M1, M2, and M3 points are frozen simultaneously. Then, we introduce the intersite Coulomb interactions between the nearest-neighbor Ti and Se atoms that lead to the excitonic instability between the valence Se 4 p and conduction Ti 3 d bands. Treating the intersite Coulomb interactions in the mean-field approximation, we show that the electron-phonon and excitonic interactions cooperatively stabilize the triple-q CDW state in TiSe2. We also calculate a single-particle spectrum in the CDW state and reproduce the band folding spectra observed in photoemission spectroscopies. Finally, to clarify the nature of the CDW state, we examine the electronic charge density distribution and show that the CDW state in TiSe2 is of a bond type and induces a vortexlike antiferroelectric polarization in the kagome network of Ti atoms.

  11. Phonon Confinement Effect in TiO2 Nanoparticles as Thermosensor Materials

    DTIC Science & Technology

    2018-01-24

    TiO2 or ZnO nanoparticles (NPs) have a very strong finite-size dependency in their Raman spectra or photoluminescence (PL) spectra due to the phonon...spectrometers were used to establish the particle size versus the Raman/PL peak position master curves. Systematic isothermal and temperature- dependent heat...Thermosensor Materials", Workshop on Time- Dependent Temperature Measurements in Energy Release Processes, Chicago, IL, 2012. 11 3) Ashish Kumar Mishra

  12. The conflicting role of buckled structure in phonon transport of 2D group-IV and group-V materials.

    PubMed

    Peng, Bo; Zhang, Dequan; Zhang, Hao; Shao, Hezhu; Ni, Gang; Zhu, Yongyuan; Zhu, Heyuan

    2017-06-08

    Controlling heat transport through material design is one important step toward thermal management in 2D materials. To control heat transport, a comprehensive understanding of how structure influences heat transport is required. It has been argued that a buckled structure is able to suppress heat transport by increasing the flexural phonon scattering. Using a first principles approach, we calculate the lattice thermal conductivity of 2D mono-elemental materials with a buckled structure. Somewhat counterintuitively, we find that although 2D group-V materials have a larger mass and higher buckling height than their group-IV counterparts, the calculated κ of blue phosphorene (106.6 W mK -1 ) is nearly four times higher than that of silicene (28.3 W mK -1 ), while arsenene (37.8 W mK -1 ) is more than fifteen times higher than germanene (2.4 W mK -1 ). We report for the first time that a buckled structure has three conflicting effects: (i) increasing the Debye temperature by increasing the overlap of the p z orbitals, (ii) suppressing the acoustic-optical scattering by forming an acoustic-optical gap, and (iii) increasing the flexural phonon scattering. The former two, corresponding to the harmonic phonon part, tend to enhance κ, while the last one, corresponding to the anharmonic part, suppresses it. This relationship between the buckled structure and phonon behaviour provides insight into how to control heat transport in 2D materials.

  13. Observation of cyclotron resonance and electron-phonon coupling in surface states of the bulk-insulating topological insulator Cu 0.02Bi 2Se 3

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wu, Liang; Tse, Wang-Kong; Morris, C. M.

    2015-02-05

    We have utilized magneto-optical time-domain spectroscopy to investigate the low frequency optical response of topological insulator Cu 0.02Bi 2Se 3 and Bi 2Se 3 films. With both field and frequency depedence, such experiments give sufficient information to measure the mobility and carrier density of multiple conduction channels simultaneously. We observe sharp cyclotron resonances (CRs) in both samples. The small amount of Cu substitution into the Cu 0.02Bi 2Se 3 induces a true bulk insulator with only a single conduction channel with total sheet carrier density 4.9 x 10 12/cm 2 and mobility as large as 4000 cm 2/V s. Thismore » is consistent with pure topological surface state (TSSs) conduction with a chemical potential 150 meV above the Dirac point. Hence, a true topological insulator with an insulating bulk is realized. The CR broadens at high fields, an e ect that we attribute to an electron-phonon interaction. This assignment is supported by an extended Drude model analysis on the zero field data. In contrast to Cu 0.02Bi 2Se 3, two charge channels were observed in normal Bi 2Se 3 films. We demonstrate a method to distinguish between the dominant TSSs and trivial bulk/2DEG states. The dominant channel exhibits a CR with a carrier density of ~2.0 x 10 13/cm 2 and mobility ~3200 cm 2/V s, consistent with TSSs with a chemical potential ~350meV above the Dirac point.« less

  14. Lattice vibrations in the Frenkel-Kontorova model. I. Phonon dispersion, number density, and energy

    NASA Astrophysics Data System (ADS)

    Meng, Qingping; Wu, Lijun; Welch, David O.; Zhu, Yimei

    2015-06-01

    We studied the lattice vibrations of two interpenetrating atomic sublattices via the Frenkel-Kontorova (FK) model of a linear chain of harmonically interacting atoms subjected to an on-site potential using the technique of thermodynamic Green's functions based on quantum field-theoretical methods. General expressions were deduced for the phonon frequency-wave-vector dispersion relations, number density, and energy of the FK model system. As the application of the theory, we investigated in detail cases of linear chains with various periods of the on-site potential of the FK model. Some unusual but interesting features for different amplitudes of the on-site potential of the FK model are discussed. In the commensurate structure, the phonon spectrum always starts at a finite frequency, and the gaps of the spectrum are true ones with a zero density of modes. In the incommensurate structure, the phonon spectrum starts from zero frequency, but at a nonzero wave vector; there are some modes inside these gap regions, but their density is very low. In our approximation, the energy of a higher-order commensurate state of the one-dimensional system at a finite temperature may become indefinitely close to the energy of an incommensurate state. This finding implies that the higher-order incommensurate-commensurate transitions are continuous ones and that the phase transition may exhibit a "devil's staircase" behavior at a finite temperature.

  15. Raman scattering from phonons and magnons in magnetic semiconductors, MnTe

    NASA Technical Reports Server (NTRS)

    Mobasser, S. R.; Hart, T. R.

    1985-01-01

    Comparisons are made between theoretical and experimental data on laser Raman scattering by phonons and two-magnons in antiferromagnetic and paramagnetic phases of MnTe. The study was performed specifically to characterize the magnetic exchange coupling constants of the Mn ions in the samples. Crystal MnTe samples were bombarded with an Ar ion laser beam to obtain spectrometer and photon counter data. One E(2g) phonon with a room temperature energy of 178/cm and a two-magnon peak of 360/cm were observed in the Raman spectrum. A spin wave dispersion relation is presented for the spectrum. Finally, a Monte Carlo technique was used to calculate the two-magnon joint density of states that best fits the experimental data.

  16. Thermoelectric transport coefficients in mono-layer MoS{sub 2} and WSe{sub 2}: Role of substrate, interface phonons, plasmon, and dynamic screening

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ghosh, Krishnendu, E-mail: kghosh3@buffalo.edu; Singisetti, Uttam, E-mail: uttamsin@buffalo.edu

    2015-10-07

    The thermoelectric transport coefficients of electrons in two recently emerged transition metal di-chalcogenides (TMD), MoS{sub 2} and WSe{sub 2}, are calculated by solving Boltzmann transport equation using Rode's iterative technique in the diffusive transport regime and the coupled current (electrical and heat) equations. Scattering from remote phonons along with the hybridization of TMD plasmon with remote phonon modes and dynamic screening under linear polarization response are investigated in TMDs sitting on a dielectric environment. The transport coefficients are obtained for a varying range of temperature and doping density for three different types of substrates—SiO{sub 2}, Al{sub 2}O{sub 3}, and HfO{submore » 2}. The Seebeck co-efficient for MoS{sub 2} and WSe{sub 2} is found to be higher than 3D semiconductors even with diffusive transport. The electronic thermal conductivity is found to be low, however, the thermoelectric figure of merit is limited by the high phonon thermal conductivity. It is found that judicious selection of a dielectric environment based on temperature of operation and carrier density is crucial to optimize the thermoelectric performance of TMD materials.« less

  17. Splash, pop, sizzle: Information processing with phononic computing

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sklan, Sophia R.

    2015-05-15

    Phonons, the quanta of mechanical vibration, are important to the transport of heat and sound in solid materials. Recent advances in the fundamental control of phonons (phononics) have brought into prominence the potential role of phonons in information processing. In this review, the many directions of realizing phononic computing and information processing are examined. Given the relative similarity of vibrational transport at different length scales, the related fields of acoustic, phononic, and thermal information processing are all included, as are quantum and classical computer implementations. Connections are made between the fundamental questions in phonon transport and phononic control and themore » device level approach to diodes, transistors, memory, and logic. .« less

  18. Phonon anharmonicity of monoclinic zirconia and yttrium-stabilized zirconia

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Li, Chen W.; Smith, Hillary L.; Lan, Tian

    2015-04-13

    Inelastic neutron scattering measurements on monoclinic zirconia (ZrO 2) and 8 mol% yttrium-stabilized zirconia were performed at temperatures from 300 to 1373 ωK. We reported temperature-dependent phonon densities of states (DOS) and Raman spectra obtained at elevated temperatures. First-principles lattice dynamics calculations with density functional theory gave total and partial phonon DOS curves and mode Grüneisen parameters. These mode Grüneisen parameters were used to predict the experimental temperature dependence of the phonon DOS with partial success. However, substantial anharmonicity was found at elevated temperatures, especially for phonon modes dominated by the motions of oxygen atoms. Yttrium-stabilized zirconia (YSZ) was somewhatmore » more anharmonic and had a broader phonon spectrum at low temperatures, owing in part to defects in its structure. YSZ also has a larger vibrational entropy than monoclinic zirconia.« less

  19. Brillouin light scattering as a probe for low frequency quasiparticles in solids

    NASA Astrophysics Data System (ADS)

    Klimovich, Nikita; Olson, Kevin; An, Kyongmo; Sullivan, Sean; Weathers, Annie; Shi, Li; Li, Xiaoqin

    2015-03-01

    In increasingly small electronic and spintronic devices, electrons, optical phonons, acoustic phonons, and magnons are often driven out of local thermal equilibrium. Thermal transport based on equilibrium dynamics does not adequately describe these systems necessitating a better understanding of non-equilibrium transport processes. Measuring the specific temperatures of the different energy carriers is therefore crucial in understanding the thermal transport. Brillouin light scattering (BLS) has recently been explored as a temperature sensor for low frequency acoustic phonons in glass, and also magnons in metallic and insulating ferromagnetic materials. We report the measured BLS spectra of acoustic phonons in Silicon at different temperatures. The temperature dependence of the BLS peak frequency, linewidth, and integrated intensity are examined to evaluate their potential uses as temperature sensors of acoustic phonons. We also observe a large nonequilibrium in phonon-magnon temperature in YIG under the effects of laser heating and thereby extract a value for the phonon-magnon coupling coefficient. This work is funded by the National Science Foundation and the Army Research Office.

  20. Raman Scattering Study of the Soft Phonon Mode in the Hexagonal Ferroelectric Crystal KNiCl 3

    NASA Astrophysics Data System (ADS)

    Machida, Ken-ichi; Kato, Tetsuya; Chao, Peng; Iio, Katsunori

    1997-10-01

    Raman spectra of some phonon modes of the hexagonal ferroelectriccrystal KNiCl3are obtained in the temperature range between 290 K and 590 K, which includes the structural phase transition point T2(=561 K) at which previous measurements of dielectric constant and spontaneouspolarization as a function of temperature had shown that KNiCl3 undergoes a transition between polar phases II and III. An optical birefringence measurement carried outas a complement to the present Raman scattering revealed that this transition is of second order. Towards this transition point, the totally symmetric phonon mode with the lowest frequency observed in the room-temperature phasewas found to soften with increasing temperature.The present results provide new information on the phase-transitionmechanism and the space groups of thehigher (II)- and lower (III)-symmetric phases around T2.

  1. Observation of Raman active phonon with Fano lineshape in quasi-one-dimensional superconductor K2Cr3As3

    NASA Astrophysics Data System (ADS)

    Zhang, W.-L.; Li, H.; Dai, X.; L, H. W.; Shi, Y.-G.; Luo, J. L.; Hu, Jiangping; Richard, P.; Ding, H.; Extreme Condition Team; Condensed Matter Theory Team

    We study the polarization-resolved phononic Raman scattering in the recent discovered quasi-one-dimensional superconductor K2Cr3As3. With support from first-principles calculations, we characterize several phonons, among which one mode has a Fano lineshape, indicative of an electron-phonon coupling. While the common expectation of an electron-phonon coupling is the conventional superconducting mechanism, we show that this mode is related to the in-plane Cr vibration, which modulates the exchange coupling between the first nearest Cr neighbors. Our result support the presence of magnetic fluctuations coupled to the electrons via the lattice. We acknowledge MOST (2010CB923000, 2011CBA001000, 2011CBA00102, 2012CB821403 and 2013CB921703), NSFC (11004232, 11034011/A0402, 11234014, 11274362 and 11474330) of China and by the Strategic Priority Research Program (B) of the Chinese Academy of Sciences, Grant No. XDB07020100.

  2. Heating-frequency-dependent thermal conductivity: An analytical solution from diffusive to ballistic regime and its relevance to phonon scattering measurements

    NASA Astrophysics Data System (ADS)

    Yang, Fan; Dames, Chris

    2015-04-01

    The heating-frequency dependence of the apparent thermal conductivity in a semi-infinite body with periodic planar surface heating is explained by an analytical solution to the Boltzmann transport equation. This solution is obtained using a two-flux model and gray mean free time approximation and verified numerically with a lattice Boltzmann method and numerical results from the literature. Extending the gray solution to the nongray regime leads to an integral transform and accumulation-function representation of the phonon scattering spectrum, where the natural variable is mean free time rather than mean free path, as often used in previous work. The derivation leads to an approximate cutoff conduction similar in spirit to that of Koh and Cahill [Phys. Rev. B 76, 075207 (2007), 10.1103/PhysRevB.76.075207] except that the most appropriate criterion involves the heater frequency rather than thermal diffusion length. The nongray calculations are consistent with Koh and Cahill's experimental observation that the apparent thermal conductivity shows a stronger heater-frequency dependence in a SiGe alloy than in natural Si. Finally these results are demonstrated using a virtual experiment, which fits the phase lag between surface temperature and heat flux to obtain the apparent thermal conductivity and accumulation function.

  3. Strong magnon-phonon coupling in NaFeAs studied by neutron scattering

    NASA Astrophysics Data System (ADS)

    Li, Yu; Yamani, Zahra; Song, Yu; Zhang, Chenglin; Dai, Pengcheng

    We carried on inelastic neutron scattering experiment on the triple axis spectrometer in CNBC in Chalk River. We measured both the phonon and magnon in NaFeAs single crystals and their temperature dependence. Since structural transition temperature (TS) and the magnetic transition temperature (T N) are well separated in NaFeAs, it provides us an unique chance to exclude the consequence or magnetic order and focus on the so called nematic phase. As the previous paper on BaFe2As2, we observed the strong phonon softening nearby the structural transition temperature at very small q (q<0.1). This makes the phonon in NaFeAs deviate from the classical linear dispersion relationship for acoustic phonons. Besides the phonon softening, we also observe phonon hardening at a larger q range when the temperature goes down. This is accompanied by the stiffening of the magnons which can be represented by the linewidth of the low energy magnetic peaks. Our results suggest that there is strong coupling between the phonons and magnons in NaFeAs.

  4. Giant suppression of phononic heat transport in a quantum magnet BiCu2PO6

    NASA Astrophysics Data System (ADS)

    Jeon, Byung-Gu; Koteswararao, B.; Park, C. B.; Shu, G. J.; Riggs, S. C.; Moon, E. G.; Chung, S. B.; Chou, F. C.; Kim, Kee Hoon

    2016-11-01

    Thermal transport of quantum magnets has elucidated the nature of low energy elementary excitations and complex interplay between those excited states via strong scattering of thermal carriers. BiCu2PO6 is a unique frustrated spin-ladder compound exhibiting highly anisotropic spin excitations that contain both itinerant and localized dispersion characters along the b- and a-axes respectively. Here, we investigate thermal conductivity κ of BiCu2PO6 under high magnetic fields (H) of up to 30 tesla. A dip-feature in κ, located at ~15 K at zero-H along all crystallographic directions, moves gradually toward lower temperature (T) with increasing H, thus resulting in giant suppression by a factor of ~30 near the critical magnetic field of Hc ≅ 23.5 tesla. The giant H- and T-dependent suppression of κ can be explained by the combined result of resonant scattering of phononic heat carriers with magnetic energy levels and increased phonon scattering due to enhanced spin fluctuation at Hc, unequivocally revealing the existence of strong spin-phonon coupling. Moreover, we find an experimental indication that the remaining magnetic heat transport along the b-axis becomes almost gapless at the magnetic quantum critical point realized at Hc.

  5. Giant suppression of phononic heat transport in a quantum magnet BiCu2PO6.

    PubMed

    Jeon, Byung-Gu; Koteswararao, B; Park, C B; Shu, G J; Riggs, S C; Moon, E G; Chung, S B; Chou, F C; Kim, Kee Hoon

    2016-11-15

    Thermal transport of quantum magnets has elucidated the nature of low energy elementary excitations and complex interplay between those excited states via strong scattering of thermal carriers. BiCu 2 PO 6 is a unique frustrated spin-ladder compound exhibiting highly anisotropic spin excitations that contain both itinerant and localized dispersion characters along the b- and a-axes respectively. Here, we investigate thermal conductivity κ of BiCu 2 PO 6 under high magnetic fields (H) of up to 30 tesla. A dip-feature in κ, located at ~15 K at zero-H along all crystallographic directions, moves gradually toward lower temperature (T) with increasing H, thus resulting in giant suppression by a factor of ~30 near the critical magnetic field of H c  ≅ 23.5 tesla. The giant H- and T-dependent suppression of κ can be explained by the combined result of resonant scattering of phononic heat carriers with magnetic energy levels and increased phonon scattering due to enhanced spin fluctuation at H c , unequivocally revealing the existence of strong spin-phonon coupling. Moreover, we find an experimental indication that the remaining magnetic heat transport along the b-axis becomes almost gapless at the magnetic quantum critical point realized at H c .

  6. Giant suppression of phononic heat transport in a quantum magnet BiCu2PO6

    PubMed Central

    Jeon, Byung-Gu; Koteswararao, B.; Park, C. B.; Shu, G. J.; Riggs, S. C.; Moon, E. G.; Chung, S. B.; Chou, F. C.; Kim, Kee Hoon

    2016-01-01

    Thermal transport of quantum magnets has elucidated the nature of low energy elementary excitations and complex interplay between those excited states via strong scattering of thermal carriers. BiCu2PO6 is a unique frustrated spin-ladder compound exhibiting highly anisotropic spin excitations that contain both itinerant and localized dispersion characters along the b- and a-axes respectively. Here, we investigate thermal conductivity κ of BiCu2PO6 under high magnetic fields (H) of up to 30 tesla. A dip-feature in κ, located at ~15 K at zero-H along all crystallographic directions, moves gradually toward lower temperature (T) with increasing H, thus resulting in giant suppression by a factor of ~30 near the critical magnetic field of Hc ≅ 23.5 tesla. The giant H- and T-dependent suppression of κ can be explained by the combined result of resonant scattering of phononic heat carriers with magnetic energy levels and increased phonon scattering due to enhanced spin fluctuation at Hc, unequivocally revealing the existence of strong spin-phonon coupling. Moreover, we find an experimental indication that the remaining magnetic heat transport along the b-axis becomes almost gapless at the magnetic quantum critical point realized at Hc. PMID:27845377

  7. Giant suppression of phononic heat transport in a quantum magnet BiCu 2PO 6

    DOE PAGES

    Jeon, Byung-Gu; Koteswararao, B.; Park, C. B.; ...

    2016-11-15

    Thermal transport of quantum magnets has elucidated the nature of low energy elementary excitations and complex interplay between those excited states via strong scattering of thermal carriers. BiCu 2PO 6 is a unique frustrated spin-ladder compound exhibiting highly anisotropic spin excitations that contain both itinerant and localized dispersion characters along the b- and a-axes respectively. Here, we investigate thermal conductivity κ of BiCu 2PO 6 under high magnetic fields (H) of up to 30 tesla. A dip-feature in κ, located at ~15K at zero-H along all crystallographic directions, moves gradually toward lower temperature (T) with increasing H, thus resulting inmore » giant suppression by a factor of ~30 near the critical magnetic field of H c≅23.5 tesla. The giant H- and T-dependent suppression of κ can be explained by the combined result of resonant scattering of phononic heat carriers with magnetic energy levels and increased phonon scattering due to enhanced spin fluctuation at H c, unequivocally revealing the existence of strong spin-phonon coupling. Moreover, we find an experimental indication that the remaining magnetic heat transport along the b-axis becomes almost gapless at the magnetic quantum critical point realized at H c.« less

  8. Effects of Electron Scattering at Metal-Nonmetal Interfaces on Electron-Phonon Equilibration in Gold Films

    DTIC Science & Technology

    2009-01-26

    dielectrics is a major concern in thermal boundary conductance studies . This aspect of energy transfer has been extensively studied and modeled on long...electron-phonon coupling in the particle. There have been only a small number of studies looking at electron-phonon relaxation around interfaces in thin...film systems. These studies avoid complications due to nanopar- ticle geometries i.e., capillary modes on determining the electron-phonon-interfacial

  9. Phonon properties of iron-based superconductors

    NASA Astrophysics Data System (ADS)

    Gupta, Yuhit; Goyal, Megha; Sinha, M. M.

    2018-05-01

    Earlier, it was thought there is antagonist relationship between superconductivity and ferromagnetic materials, But, a discovery of iron-based superconductors have removed this misconception. It gives an idea to make a review on the superconductivity properties of different materials. The new iron-based superconductors' present symmetry breaking competing phases in the form of tetragonal to orthorhombic transition. It consists of mainly four families [1111], [111], [122], and [11] type. Superconductivity of iron-based superconductors mainly related with the phonons and there is an excellent relation between phonons and superconductivity. Phonons properties are helpful in predicting the superconducting properties of materials. Phonon properties of iron-based superconductors in various phases are summarized in this study. We are presenting the review of phonon properties of iron-based superconductors.

  10. Phonon dispersion and local density of states in NiPd alloy using modified embedded atom method potential

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Joshi, Subodh, E-mail: subodhssgk@gmail.com; Chand, Manesh, E-mail: maneshchand@gmail.com; Dabral, Krishna, E-mail: kmkrishna.dabral@gmail.com

    2016-05-06

    A modified embedded atom method (MEAM) potential model up to second neighbours has been used to calculate the phonon dispersions for Ni{sub 0.55}Pd{sub 0.45} alloy in which Pd is introduced as substitutional impurity. Using the force-constants obtained from MEAM potential, the local vibrational density of states in host Ni and substitutional Pd atoms using Green’s function method has been calculated. The calculation of phonon dispersions of NiPd alloy shows a good agreement with the experimental results. Condition of resonance mode has also been investigated and resonance mode in the frequency spectrum of impurity atom at low frequency is observed.

  11. Electron-phonon coupling from finite differences

    NASA Astrophysics Data System (ADS)

    Monserrat, Bartomeu

    2018-02-01

    The interaction between electrons and phonons underlies multiple phenomena in physics, chemistry, and materials science. Examples include superconductivity, electronic transport, and the temperature dependence of optical spectra. A first-principles description of electron-phonon coupling enables the study of the above phenomena with accuracy and material specificity, which can be used to understand experiments and to predict novel effects and functionality. In this topical review, we describe the first-principles calculation of electron-phonon coupling from finite differences. The finite differences approach provides several advantages compared to alternative methods, in particular (i) any underlying electronic structure method can be used, and (ii) terms beyond the lowest order in the electron-phonon interaction can be readily incorporated. But these advantages are associated with a large computational cost that has until recently prevented the widespread adoption of this method. We describe some recent advances, including nondiagonal supercells and thermal lines, that resolve these difficulties, and make the calculation of electron-phonon coupling from finite differences a powerful tool. We review multiple applications of the calculation of electron-phonon coupling from finite differences, including the temperature dependence of optical spectra, superconductivity, charge transport, and the role of defects in semiconductors. These examples illustrate the advantages of finite differences, with cases where semilocal density functional theory is not appropriate for the calculation of electron-phonon coupling and many-body methods such as the GW approximation are required, as well as examples in which higher-order terms in the electron-phonon interaction are essential for an accurate description of the relevant phenomena. We expect that the finite difference approach will play a central role in future studies of the electron-phonon interaction.

  12. Terahertz acoustic phonon detection from a compact surface layer of spherical nanoparticles powder mixture of aluminum, alumina and multi-walled carbon nanotube

    NASA Astrophysics Data System (ADS)

    Abouelsayed, A.; Ebrahim, M. R.; El hotaby, W.; Hassan, S. A.; Al-Ashkar, Emad

    2017-10-01

    We present terahertz spectroscopy study on spherical nanoparticles powder mixture of aluminum, alumina, and MWCNTs induced by surface mechanical attrition treatment (SMAT) of aluminum substrates. Surface alloying of AL, Al2O3 0.95% and MWCNTs 0.05% powder mixture was produced during SMAT process, where a compact surface layer of about 200 μm due to ball bombardment was produced from the mixture. Al2O3 alumina powder played a significant role in MWCNTs distribution on surface, those were held in deformation surface cites of micro-cavities due to SMAT process of Al. The benefits are the effects on resulted optical properties of the surface studied at the terahertz frequency range due to electrical isolation confinement effects and electronic resonance disturbances exerted on Al electronic resonance at the same range of frequencies. THz acoustic phonon around 0.53-0.6 THz (17-20 cm-1) were observed at ambient conditions for the spherical nanoparticles powder mixture of Al, Al2O3 and MWCNTs. These results suggested that the presence of Al2O3 and MWCNTs during SMAT process leads to the optically detection of such acoustic phonon in the THz frequency range.

  13. Electron and phonon transport in Co-doped FeV0.6Nb0.4Sb half-Heusler thermoelectric materials

    NASA Astrophysics Data System (ADS)

    Fu, Chenguang; Liu, Yintu; Xie, Hanhui; Liu, Xiaohua; Zhao, Xinbing; Jeffrey Snyder, G.; Xie, Jian; Zhu, Tiejun

    2013-10-01

    The electron and phonon transport characteristics of n-type Fe1-xCoxV0.6Nb0.4Sb half-Heusler thermoelectric compounds is analyzed. The acoustic phonon scattering is dominant in the carrier transport. The deformation potential of Edef = 14.1 eV and the density of state effective mass m* ≈ 2.0 me are derived under a single parabolic band assumption. The band gap is calculated to be ˜0.3 eV. Electron and phonon mean free paths are estimated based on the low and high temperature measurements. The electron mean free path is higher than the phonon one above room temperature, which is consistent with the experimental result that the electron mobility decreases more than the lattice thermal conductivity by grain refinement to enhance boundary scattering. A maximum ZT value of ˜0.33 is obtained at 650 K for x = 0.015, an increase by ˜60% compared with FeVSb. The optimal doping level is found to be ˜3.0 × 1020 cm-3 at 600 K.

  14. Structural, vibrational and thermodynamic properties of Mg2 FeH6 complex hydride

    NASA Astrophysics Data System (ADS)

    Zhou, H. L.; Yu, Y.; Zhang, H. F.; Gao, T.

    2011-02-01

    Mg2FeH6, which has one of the highest hydrogen storage capacities among Mg based 3d-transitional metal hydrides, is considered as an attractive material for hydrogen storage. Within density-functional perturbation theory (DFPT), we have investigated the structural, vibrational and thermodynamic properties of Mg2FeH6. The band structure calculation shows that this compound is a semiconductor with a direct X-X energy gap of 1.96 eV. The calculated phonon frequencies for the Raman-active and the infrared-active modes are assigned. The phonon dispersion curves together with the corresponding phonon density of states and longitudinal-transverse optical (LO-TO) splitting are also calculated. Findings are also presented for the temperature-dependent behaviors of some thermodynamic properties such as free energy, internal energy, entropy and heat capacity within the quasi-harmonic approximation based on the calculated phonon density of states.

  15. Sub-Poissonian phonon statistics in an acoustical resonator coupled to a pumped two-level emitter

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ceban, V., E-mail: victor.ceban@phys.asm.md; Macovei, M. A., E-mail: macovei@phys.asm.md

    2015-11-15

    The concept of an acoustical analog of the optical laser has been developed recently in both theoretical and experimental works. We here discuss a model of a coherent phonon generator with a direct signature of the quantum properties of sound vibrations. The considered setup is made of a laser-driven quantum dot embedded in an acoustical nanocavity. The system dynamics is solved for a single phonon mode in the steady-state and in the strong quantum dot—phonon coupling regime beyond the secular approximation. We demonstrate that the phonon statistics exhibits quantum features, i.e., is sub-Poissonian.

  16. Phonon induced magnetism in ionic materials

    NASA Astrophysics Data System (ADS)

    Restrepo, Oscar D.; Antolin, Nikolas; Jin, Hyungyu; Heremans, Joseph P.; Windl, Wolfgang

    2014-03-01

    Thermoelectric phenomena in magnetic materials create exciting possibilities in future spin caloritronic devices by manipulating spin information using heat. An accurate understanding of the spin-lattice interactions, i.e. the coupling between magnetic excitations (magnons) and lattice vibrations (phonons), holds the key to unraveling their underlying physics. We report ab initio frozen-phonon calculations of CsI that result in non-zero magnetization when the degeneracy between spin-up and spin-down electronic density of states is lifted for certain phonon displacement patterns. For those, the magnetization as a function of atomic displacement shows a sharp resonance due to the electronic states on the displaced Cs atoms, while the electrons on indium form a continuous background magnetization. We relate this resonance to the generation of a two-level system in the spin-polarized Cs partial density of states as a function of displacement, which we propose to be described by a simple resonant-susceptibility model. Current work extends these investigations to semiconductors such as InSb. ODR and WW are supported by the Center for Emergent Materials, an NSF MRSEC at OSU (Grant DMR-0820414).HJ and JPH are supported by AFOSR MURI Cryogenic Peltier Cooling, Contract #FA9550-10-1-0533.

  17. Diamond family of colloidal supercrystals as phononic metamaterials

    NASA Astrophysics Data System (ADS)

    Aryana, Kiumars; Zanjani, Mehdi B.

    2018-05-01

    Colloidal crystals provide a versatile platform for designing phononic metamaterials with exciting applications for sound and heat management. New advances in the synthesis and self-assembly of anisotropic building blocks such as colloidal clusters have expanded the library of available micro- and nano-scale ordered multicomponent structures. Diamond-like supercrystals formed by such clusters and spherical particles are notable examples that include a rich family of crystal symmetries such as diamond, double diamond, zinc-blende, and MgCu2. This work investigates the design of phononic supercrystals by predicting and analyzing phonon transport properties. In addition to size variation and structural diversity, these supercrystals encapsulate different sub-lattice types within one structure. Computational models are used to calculate the effect of various parameters on the phononic spectrum of diamond-like supercrystals. The results show that structures with relatively small or large filling factors (f > 0.65 or f < 0.45) include smaller bandgaps compared to those with medium filling factors (0.65 > f > 0.45). The double diamond and zinc-blende structures render the largest bandgap size compared to the other supercrystals studied in this paper. Additionally, this article discusses the effect of incorporating various configurations of sub-lattices by selecting different material compositions for the building blocks. The results suggest that, for the same structure, there exist multiple phononic variants with drastically different band structures. This study provides a valuable insight for evaluating novel colloidal supercrystals for phononic applications and guides the future experimental work for the synthesis of colloidal structures with desired phononic behavior.

  18. Second-harmonic phonon spectroscopy of α -quartz

    NASA Astrophysics Data System (ADS)

    Winta, Christopher J.; Gewinner, Sandy; Schöllkopf, Wieland; Wolf, Martin; Paarmann, Alexander

    2018-03-01

    We demonstrate midinfrared second-harmonic generation as a highly sensitive phonon spectroscopy technique that we exemplify using α -quartz (SiO2) as a model system. A midinfrared free-electron laser provides direct access to optical phonon resonances ranging from 350 to 1400 cm-1 . While the extremely wide tunability and high peak fields of a free-electron laser promote nonlinear spectroscopic studies—complemented by simultaneous linear reflectivity measurements—azimuthal scans reveal crystallographic symmetry information of the sample. Additionally, temperature-dependent measurements show how damping rates increase, phonon modes shift spectrally and in certain cases disappear completely when approaching Tc=846 K where quartz undergoes a structural phase transition from trigonal α -quartz to hexagonal β -quartz, demonstrating the technique's potential for studies of phase transitions.

  19. Optical phonon characteristics of an orthorhombic-transformed polymorph of CaTa2O6 single crystal fibre

    NASA Astrophysics Data System (ADS)

    Almeida, R. M.; Andreeta, M. R. B.; Hernandes, A. C.; Dias, A.; Moreira, R. L.

    2014-03-01

    Infrared-reflectivity spectroscopy and micro-Raman scattering were used to determine the optical phonon features of orthorhombic calcium tantalite (CaTa2O6) single crystal fibres. The fibres, obtained by the Laser-Heated Pedestal Growth method, grew into an ordered cubic structure \\left( Pm\\bar{3} \\right). Long-time annealing was used to induce a polymorphic transformation to an aeschynite orthorhombic structure (Pnma space group). The phase transformation led to the appearance of structural domains and micro-cracks, responsible for diffuse scattering and depolarization of the scattered light in the visible range, but not in the infrared region. Thus, polarized infrared spectroscopy could be performed within oriented single domains, with an appropriate microscope, allowing us to determine all relevant polar phonons of the orthorhombic CaTa2O6. The obtained phononic dielectric response, {{\\epsilon }_{r}} = 22.4 and = 86 × 103 GHz, shows the appropriateness of the material for microwave applications. Totally symmetric Raman modes could be resolved by polarization, after re-polishing the cracked sample surface.

  20. Hierarchical thermoelectrics: crystal grain boundaries as scalable phonon scatterers

    NASA Astrophysics Data System (ADS)

    Selli, Daniele; Boulfelfel, Salah Eddine; Schapotschnikow, Philipp; Donadio, Davide; Leoni, Stefano

    2016-02-01

    Thermoelectric materials are strategically valuable for sustainable development, as they allow for the generation of electrical energy from wasted heat. In recent years several strategies have demonstrated some efficiency in improving thermoelectric properties. Dopants affect carrier concentration, while thermal conductivity can be influenced by alloying and nanostructuring. Features at the nanoscale positively contribute to scattering phonons, however those with long mean free paths remain difficult to alter. Here we use the concept of hierarchical nano-grains to demonstrate thermal conductivity reduction in rocksalt lead chalcogenides. We demonstrate that grains can be obtained by taking advantage of the reconstructions along the phase transition path that connects the rocksalt structure to its high-pressure form. Since grain features naturally change as a function of size, they impact thermal conductivity over different length scales. To understand this effect we use a combination of advanced molecular dynamics techniques to engineer grains and to evaluate thermal conductivity in PbSe. By affecting grain morphologies only, i.e. at constant chemistry, two distinct effects emerge: the lattice thermal conductivity is significantly lowered with respect to the perfect crystal, and its temperature dependence is markedly suppressed. This is due to an increased scattering of low-frequency phonons by grain boundaries over different size scales. Along this line we propose a viable process to produce hierarchical thermoelectric materials by applying pressure via a mechanical load or a shockwave as a novel paradigm for material design.

  1. Topological chiral phonons in center-stacked bilayer triangle lattices

    NASA Astrophysics Data System (ADS)

    Xu, Xifang; Zhang, Wei; Wang, Jiaojiao; Zhang, Lifa

    2018-06-01

    Since chiral phonons were found in an asymmetric two-dimensional hexagonal lattice, there has been growing interest in the study of phonon chirality, which were experimentally verified very recently in monolayer tungsten diselenide (2018 Science 359 579). In this work, we find chiral phonons with nontrivial topology in center-stacked bilayer triangle lattices. At the Brillouin-zone corners, (), circularly polarized phonons and nonzero phonon Berry curvature are observed. Moreover, we find that the phonon chirality remain robust with changing sublattice mass ratio and interlayer coupling. The chiral phonons at the valleys are demonstrated in doubler-layer sodium chloride along the [1 1 1] direction. We believe that the findings on topological chiral phonons in triangle lattices will give guidance in the study of chiral phonons in real materials and promote the phononic applications.

  2. Phonon dynamics in type-VIII silicon clathrates: Beyond the rattler concept

    NASA Astrophysics Data System (ADS)

    Norouzzadeh, Payam; Myles, Charles W.; Vashaee, Daryoosh

    2017-05-01

    Clathrates can form a type of guest-host solid structures that, unlike most crystalline solids, have very low thermal conductivity. It is generally thought that the guest atoms caged inside the host framework act as "rattlers" and induce lattice dynamics disorders responsible for the small thermal conductivity. We performed a systematic study of the lattice dynamical properties of type-VIII clathrates with alkali and alkaline-earth guests, i.e., X8S i46 (X =Na , K, Rb, Cs, Ca, Sr, and Ba). The energy dependent participation ratio (PR) and the atomic participation ratio of phonon modes extracted from density functional theory calculations revealed that the rattler concept is not adequate to describe the effect of fillers as they manifest strong hybridization with the framework. For the case of heavy fillers, such as Rb, Sr, Cs, and Ba, a phonon band gap was formed between the acoustic and optical branches. The calculated PR indicated that the fillers suppress the acoustic phonon modes and change the energy transport mechanism from propagative to diffusive or localized resulting in "phonon-glass" characteristics. This effect is stronger for the heavy fillers. Furthermore, in all cases, the guest insertion depressed the phonon bandwidth, reduced the Debye temperature, and reduced the phonon group velocity, all of which should lead to reduction of the thermal conductivity.

  3. Dynamics of large-wave-vector magnons and phonons in MnF2:Er3+ using a far-infrared quantum-counter technique

    NASA Astrophysics Data System (ADS)

    Rotter, L. D.; Dennis, W. M.; Yen, W. M.

    1990-07-01

    Magnons near the Brillouin zone-edge were generated in antiferromagnetic MnF2:Er3+ at 1.9 K by exciting the intrinsic two-magnon absorption band using a pulsed far-infrared laser. The lowest Stark level of the Er3+ ground state was used as a 36-cm-1 magnon and phonon detector in a quantum-counter scheme. A simple set of rate equations was used to model the system. The decay time was found to be 2.9+/-0.6 μs for 55-cm-1, 3+/-2 μs for 47.6-cm-1 magnons, and 40+/-20 ns for 36-cm-1 phonons. The sum of the 36-cm-1 magnon decay rate and the Er3+-magnon decay rate was 0.9+/-0.2 μs-1. Possible mechanisms of magnon decay are discussed. The dominant mechanism is most likely thermal magnon-magnon scattering. No evidence of large-wave-vector magnon decay to 36-cm-1 phonons was found. We suggest that magnons do not decay to phonons until they scatter into the magnetoelastic modes. Implications with respect to recent magnon-transport experiments are discussed.

  4. Phononic Origins of Friction in Carbon Nanotube Oscillators.

    PubMed

    Prasad, Matukumilli V D; Bhattacharya, Baidurya

    2017-04-12

    Phononic coupling can have a significant role in friction between nanoscale surfaces. We find frictional dissipation per atom in carbon nanotube (CNT) oscillators to depend significantly on interface features such as contact area, commensurability, and by end-capping of the inner core. We perform large-scale phonon wavepacket MD simulations to study phonon coupling between a 250 nm long (10,10) outer tube and inner cores of four different geometries. Five different phonon polarizations known to have dominant roles in thermal transport are selected, and transmission coefficient plots for a range of phonon energies along with phonon scattering dynamics at specific energies are obtained. We find that the length of interface affects friction only through LA phonon scattering and has a significant nonlinear effect on total frictional force. Incommensurate contact does not always give rise to superlubricity: the net effect of two competing interaction mechanisms shown by longitudinal and transverse phonons decides the role of commensurability. Capping of the core has no effect on acoustic phonons but destroys the coherence of transverse optical phonons and creates diffusive scattering. In contrast, the twisting and radial breathing phonon modes have perfect transmission at all energies and can be deemed as the enablers of ultralow friction in CNT oscillators. Our work suggests that tuning of interface geometries can give rise to desirable friction properties in nanoscale devices.

  5. Longitudinal optical phonon-plasmon coupled modes of degenerate Al-doped ZnO films

    NASA Astrophysics Data System (ADS)

    Ding, K.; Hu, Q. C.; Lin, W. W.; Huang, J. K.; Huang, F.

    2012-07-01

    We have investigated the interaction between carriers and polar phonons by using Raman scattering spectroscopy in highly conductive Al-doped ZnO films grown by metalorganic chemical vapor deposition. Different from the longitudinal optical phonon-plasmon coupled modes (LOPPCM) observed in nondegenerate ZnO, an A1(LO)-like mode appears at the low frequency side of the uncoupled A1(LO) mode, and it monotonically shifts to higher frequencies and approaches to the uncoupled A1(LO) mode as Al composition increases. Based on line shape calculations, the A1(LO)-like mode is assigned to the large wave-vector LOPPCM arising from nonconserving scattering dominated by the Al impurity-induced Fröhlich mechanism. Benefiting from the nonmonotonic Al composition dependence of the electron density, it is revealed that the LOPPCM depends mainly on the doping level but not the carrier concentration.

  6. Evidence of Longitudinal Acoustic Phonon Generation in Si Doping Superlattices by Ge Prism-Coupled THz Laser Radiation

    NASA Astrophysics Data System (ADS)

    Wilson, T.; Kasper, E.; Oehme, M.; Schulze, J.; Korolev, K.

    2014-11-01

    We report on the direct excitation of 246 GHz longitudinal acoustic phonons in silicon doping superlattices by the resonant absorption of nanosecond-pulsed far-infrared laser radiation of the same frequency. A longitudinally polarized evanescent laser light field is coupled to the superlattice through a germanium prism providing total internal reflection at the superlattice interface. The ballistic phonon signal is detected by a superconducting aluminum bolometer. The sample is immersed in low-temperature liquid helium.

  7. Anharmonic phonons and second-order phase-transitions by the stochastic self-consistent harmonic approximation

    NASA Astrophysics Data System (ADS)

    Mauri, Francesco

    Anharmonic effects can generally be treated within perturbation theory. Such an approach breaks down when the harmonic solution is dynamically unstable or when the anharmonic corrections of the phonon energies are larger than the harmonic frequencies themselves. This situation occurs near lattice-related second-order phase-transitions such as charge-density-wave (CDW) or ferroelectric instabilities or in H-containing materials, where the large zero-point motion of the protons results in a violation of the harmonic approximation. Interestingly, even in these cases, phonons can be observed, measured, and used to model transport properties. In order to treat such cases, we developed a stochastic implementation of the self-consistent harmonic approximation valid to treat anharmonicity in the nonperturbative regime and to obtain, from first-principles, the structural, thermodynamic and vibrational properties of strongly anharmonic systems. I will present applications to the ferroelectric transitions in SnTe, to the CWD transitions in NbS2 and NbSe2 (in bulk and monolayer) and to the hydrogen-bond symmetrization transition in the superconducting hydrogen sulfide system, that exhibits the highest Tc reported for any superconductor so far. In all cases we are able to predict the transition temperature (pressure) and the evolution of phonons with temperature (pressure). This project has received funding from the European Union's Horizon 2020 research and innovation programme under Grant agreement No. 696656 GrapheneCore1.

  8. Lattice vibrations in the Frenkel-Kontorova model. I. Phonon dispersion, number density, and energy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Meng, Qingping; Wu, Lijun; Welch, David O.

    2015-06-17

    We studied the lattice vibrations of two inter-penetrating atomic sublattices via the Frenkel-Kontorova (FK) model of a linear chain of harmonically interacting atoms subjected to an on-site potential, using the technique of thermodynamic Green's functions based on quantum field-theoretical methods. General expressions were deduced for the phonon frequency-wave-vector dispersion relations, number density, and energy of the FK model system. In addition, as the application of the theory, we investigated in detail cases of linear chains with various periods of the on-site potential of the FK model. Some unusual but interesting features for different amplitudes of the on-site potential of themore » FK model are discussed. In the commensurate structure, the phonon spectrum always starts at a finite frequency, and the gaps of the spectrum are true ones with a zero density of modes. In the incommensurate structure, the phonon spectrum starts from zero frequency, but at a non-zero wave vector; there are some modes inside these gap regions, but their density is very low. In our approximation, the energy of a higher-order commensurate state of the one-dimensional system at a finite temperature may become indefinitely close to the energy of an incommensurate state. This finding implies that the higher-order incommensurate-commensurate transitions are continuous ones and that the phase transition may exhibit a “devil's staircase” behavior at a finite temperature.« less

  9. Terahertz quantum cascade lasers based on resonant phonon scattering for depopulation.

    PubMed

    Hu, Qing; Williams, Benjamin S; Kumar, Sushil; Callebaut, Hans; Reno, John L

    2004-02-15

    We report our development of terahertz (THz) quantum cascade lasers (QCLs), in which the depopulation of the lower radiative level is achieved through resonant longitudinal optical (LO) phonon scattering. This depopulation mechanism, similar to that implemented in all the QCLs operating at mid-infrared frequencies, is robust at high temperatures and high injection levels. The unique feature of resonant LO-phonon scattering in our THz QCL structures allows a highly selective depopulation of the lower radiative level with a sub-picosecond lifetime, while maintaining a relatively long upper level lifetime (more than 5 ps) that is due to upper-to-ground-state scattering. The first QCL based on this mechanism achieved lasing at 3.4 THz (lambda approximately 87 microm) up to 87 K for pulsed operations, with peak power levels exceeding 10 mW at ca. 40 K. Using a novel double-sided metal waveguide for mode confinement, which yields a unity mode confinement factor and therefore a low total cavity loss at THz frequencies, we have also achieved lasing at wavelengths longer than 100 microm.

  10. The role of electron-phonon interactions on the coherence lifetime of monolayer transition metal dichalcogenides

    NASA Astrophysics Data System (ADS)

    Stevens, C. E.; Dey, P.; Paul, J.; Wang, Z.; Zhang, H.; Romero, A. H.; Shan, J.; Hilton, D. J.; Karaiskaj, D.

    2017-10-01

    We investigate the excitonic dephasing of transition metal dichalcogenides, namely MoS2, MoSe2 and WSe2 atomic monolayer thick and bulk crystals, in order to understand the factors that determine the optical coherence in these materials. Coherent nonlinear optical spectroscopy, temperature dependent absorption combined with theoretical calculations of the phonon spectra, reveal the important role electron-phonon interactions plat in dephasing process. The temperature dependence of the electronic band gap and the excitonic linewidth combined with 'ab initio' calculations of the phonon energies and the phonon density of state reveal strong interaction with the E‧ and E″ phonon modes.

  11. The role of electron-phonon interactions on the coherence lifetime of monolayer transition metal dichalcogenides

    NASA Astrophysics Data System (ADS)

    Stevens, C. E.; Dey, P.; Paul, J.; Wang, Z.; Zhang, H.; Romero, A. H.; Shan, J.; Hilton, D. J.; Karaiskaj, D.

    2017-06-01

    We investigate the excitonic dephasing of transition metal dichalcogenides, namely MoS2, MoSe2 and WSe2 atomic monolayer thick and bulk crystals, in order to understand the factors that determine the optical coherence in these materials. Coherent nonlinear optical spectroscopy, temperature dependent absorption combined with theoretical calculations of the phonon spectra, reveal the important role electron-phonon interactions plat in dephasing process. The temperature dependence of the electronic band gap and the excitonic linewidth combined with ‘ab initio’ calculations of the phonon energies and the phonon density of state reveal strong interaction with the E’ and E” phonon modes.

  12. Effect of electron-phonon coupling on energy and density of states renormalizations of dynamically screened graphene

    NASA Astrophysics Data System (ADS)

    Leblanc, J. P. F.; Carbotte, J. P.; Nicol, E. J.

    2012-02-01

    Motivated by recent tunneling and angle-resolved photoemission (ARPES) work [1,2], we explore the combined effect of electron-electron and electron-phonon couplings on the renormalized energy dispersion, the spectral function, and the density of states of doped graphene. We find that the plasmarons seen in ARPES are also observable in the density of states and appear as structures with quadratic dependence on energy about the minima. Further, we illustrate how knowledge of the slopes of both the density of states and the renormalized dispersion near the Fermi level can allow for the separation of momentum and frequency dependent renormalizations to the Fermi velocity. This analysis should allow for the isolation of the renormalization due to the electron-phonon interaction from that of the electron-electron interaction. [4pt] [1] Brar et al. Phys. Rev. Lett. 104, 036805 (2010) [2] Bostwick et al. Science 328, p.999 (2010)

  13. Phonon thermodynamics of iron and cementite

    NASA Astrophysics Data System (ADS)

    Mauger, Lisa Mary

    The vibrational properties of materials are essential to understanding material stability and thermodynamics. In this thesis I outline vibrational thermodynamic models and the experimental tools that provide evidence on phonon behavior. The introductory section discusses the history of metallurgy and thermodynamic theory, with an emphasis on the role of iron and cementite, two important components of steels. The thermodynamic framework for understanding vibrational material behavior is provided alongside the growing body of experimental and computational tools that provide physical insight on vibrational properties. The high temperature vibrational behavior of iron and cementite are explored within this context in the final chapters. Body-centered-cubic iron exhibits decreasing phonon energies at elevated temperatures. The observed energy change in not uniform across phonon modes in iron, and specific phonon modes show significant decreases in energy that are not explained by simple vibrational models. This anomalously energy decrease is linked to the second-nearest-neighbor interactions in the bcc structure, through examination of fitted interatomic force constants. The large changes in phonon energy result in a significant increase in the vibrational entropy, called the nonharmonic vibrational entropy, which emulates the temperature behavior of the magnetic entropy across the Curie temperature. The nonharmonic vibrational entropy is attributed to interactions between the vibrations and state of magnetic disorder in the material, which persists above the magnetic transitions and extends the stability region of the bcc phase. Orthorombic cementite, Fe3C, exhibits anisotropic magneto-volume behavior in the ferromagnetic phase including regions very low thermal expansion. The phonon modes of cementite show anomalous temperature dependence, with low energy phonon modes increasing their energy at elevated temperatures in the ferromagnetic phase. This behavior is

  14. Mutual interactions of phonons, rotons, and gravity

    NASA Astrophysics Data System (ADS)

    Nicolis, Alberto; Penco, Riccardo

    2018-04-01

    We introduce an effective point-particle action for generic particles living in a zero-temperature superfluid. This action describes the motion of the particles in the medium at equilibrium as well as their couplings to sound waves and generic fluid flows. While we place the emphasis on elementary excitations such as phonons and rotons, our formalism applies also to macroscopic objects such as vortex rings and rigid bodies interacting with long-wavelength fluid modes. Within our approach, we reproduce phonon decay and phonon-phonon scattering as predicted using a purely field-theoretic description of phonons. We also correct classic results by Landau and Khalatnikov on roton-phonon scattering. Finally, we discuss how phonons and rotons couple to gravity, and show that the former tend to float while the latter tend to sink but with rather peculiar trajectories. Our formalism can be easily extended to include (general) relativistic effects and couplings to additional matter fields. As such, it can be relevant in contexts as diverse as neutron star physics and light dark matter detection.

  15. Evidence of superconductivity-induced phonon spectra renormalization in alkali-doped iron selenides

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Opačić, M.; Lazarević, N.; Šćepanović, M.

    2015-11-16

    Polarized Raman scattering spectra of superconducting K x Fe2-y Se2 and non-superconducting K0.8Fe1.8Co0.2Se2 single crystals were measured in the temperature range from 10 K up to 300 K. Two Raman active modes from the I4/mmm phase and seven from the I4/m phase are observed in the frequency range from 150 to 325 cm-1 in both compounds, suggesting that the K0.8Fe1.8Co0.2Se2 single crystal also has a two-phase nature. The temperature dependence of the Raman mode energy is analyzed in terms of lattice thermal expansion and phonon–phonon interaction. The temperature dependence of the Raman mode linewidth is dominated by temperature-induced anharmonic effects. It is shown that the change in Raman mode energy with temperature is dominantly driven by thermal expansion of the crystal lattice. An abrupt change of the A1g mode energy nearmore » $${{T}_{\\text{C}}}$$ was observed in K x Fe2-y Se2, whereas it is absent in non-superconducting K0.8Fe1.8Co0.2Se2. Phonon energy hardening at low temperatures in the superconducting sample is a consequence of superconductivity-induced redistribution of the electronic states below the critical temperature.« less

  16. Scattering Tools for Nanostructure Phonon Engineering

    DTIC Science & Technology

    2013-09-25

    characterization of phonons in nanomaterials, such as Raman scattering, are sensitive only to phonon modes with wavevectors of extremely small magnitude...Fundamentally the wavevectors that can be probed by Raman scattering are limited by the small momentum of photons in the visible spectrum. Our work...serious characterization challenge because existing experimental techniques for the characterization of phonons in nanomaterials, such as Raman

  17. Femtosecond electron imaging of defect-modulated phonon dynamics

    PubMed Central

    Cremons, Daniel R.; Plemmons, Dayne A.; Flannigan, David J.

    2016-01-01

    Precise manipulation and control of coherent lattice oscillations via nanostructuring and phonon-wave interference has the potential to significantly impact a broad array of technologies and research areas. Resolving the dynamics of individual phonons in defect-laden materials presents an enormous challenge, however, owing to the interdependent nanoscale and ultrafast spatiotemporal scales. Here we report direct, real-space imaging of the emergence and evolution of acoustic phonons at individual defects in crystalline WSe2 and Ge. Via bright-field imaging with an ultrafast electron microscope, we are able to image the sub-picosecond nucleation and the launch of wavefronts at step edges and resolve dispersion behaviours during propagation and scattering. We discover that the appearance of speed-of-sound (for example, 6 nm ps−1) wavefronts are influenced by spatially varying nanoscale strain fields, taking on the appearance of static bend contours during propagation. These observations provide unprecedented insight into the roles played by individual atomic and nanoscale features on acoustic-phonon dynamics. PMID:27079790

  18. Inverse design of high-Q wave filters in two-dimensional phononic crystals by topology optimization.

    PubMed

    Dong, Hao-Wen; Wang, Yue-Sheng; Zhang, Chuanzeng

    2017-04-01

    Topology optimization of a waveguide-cavity structure in phononic crystals for designing narrow band filters under the given operating frequencies is presented in this paper. We show that it is possible to obtain an ultra-high-Q filter by only optimizing the cavity topology without introducing any other coupling medium. The optimized cavity with highly symmetric resonance can be utilized as the multi-channel filter, raising filter and T-splitter. In addition, most optimized high-Q filters have the Fano resonances near the resonant frequencies. Furthermore, our filter optimization based on the waveguide and cavity, and our simple illustration of a computational approach to wave control in phononic crystals can be extended and applied to design other acoustic devices or even opto-mechanical devices. Copyright © 2016 Elsevier B.V. All rights reserved.

  19. Measuring phonon mean free path distributions by probing quasiballistic phonon transport in grating nanostructures

    DOE PAGES

    Zeng, Lingping; Collins, Kimberlee C.; Hu, Yongjie; ...

    2015-11-27

    Heat conduction in semiconductors and dielectrics depends upon their phonon mean free paths that describe the average travelling distance between two consecutive phonon scattering events. Nondiffusive phonon transport is being exploited to extract phonon mean free path distributions. Here, we describe an implementation of a nanoscale thermal conductivity spectroscopy technique that allows for the study of mean free path distributions in optically absorbing materials with relatively simple fabrication and a straightforward analysis scheme. We pattern 1D metallic grating of various line widths but fixed gap size on sample surfaces. The metal lines serve as both heaters and thermometers in time-domainmore » thermoreflectance measurements and simultaneously act as wiregrid polarizers that protect the underlying substrate from direct optical excitation and heating. We demonstrate the viability of this technique by studying length-dependent thermal conductivities of silicon at various temperatures. The thermal conductivities measured with different metal line widths are analyzed using suppression functions calculated from the Boltzmann transport equation to extract the phonon mean free path distributions with no calibration required. Furthermore, this table-top ultrafast thermal transport spectroscopy technique enables the study of mean free path spectra in a wide range of technologically important materials.« less

  20. Nonlinear electron-phonon coupling in doped manganites

    DOE PAGES

    Esposito, Vincent; Fechner, M.; Mankowsky, R.; ...

    2017-06-15

    Here, we employ time-resolved resonant x-ray diffraction to study the melting of charge order and the associated insulator-to-metal transition in the doped manganite Pr 0.5Ca 0.5MnO 3 after resonant excitation of a high-frequency infrared-active lattice mode. We find that the charge order reduces promptly and highly nonlinearly as function of excitation fluence. Density-functional theory calculations suggest that direct anharmonic coupling between the excited lattice mode and the electronic structure drives these dynamics, highlighting a new avenue of nonlinear phonon control.

  1. Nonlinear Electron-Phonon Coupling in Doped Manganites.

    PubMed

    Esposito, V; Fechner, M; Mankowsky, R; Lemke, H; Chollet, M; Glownia, J M; Nakamura, M; Kawasaki, M; Tokura, Y; Staub, U; Beaud, P; Först, M

    2017-06-16

    We employ time-resolved resonant x-ray diffraction to study the melting of charge order and the associated insulator-to-metal transition in the doped manganite Pr_{0.5}Ca_{0.5}MnO_{3} after resonant excitation of a high-frequency infrared-active lattice mode. We find that the charge order reduces promptly and highly nonlinearly as function of excitation fluence. Density-functional theory calculations suggest that direct anharmonic coupling between the excited lattice mode and the electronic structure drives these dynamics, highlighting a new avenue of nonlinear phonon control.

  2. Large scale phononic metamaterials for seismic isolation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Aravantinos-Zafiris, N.; Sigalas, M. M.

    In this work, we numerically examine structures that could be characterized as large scale phononic metamaterials. These novel structures could have band gaps in the frequency spectrum of seismic waves when their dimensions are chosen appropriately, thus raising the belief that they could be serious candidates for seismic isolation structures. Different and easy to fabricate structures were examined made from construction materials such as concrete and steel. The well-known finite difference time domain method is used in our calculations in order to calculate the band structures of the proposed metamaterials.

  3. Ab initio computation of the transition temperature of the charge density wave transition in TiS e2

    NASA Astrophysics Data System (ADS)

    Duong, Dinh Loc; Burghard, Marko; Schön, J. Christian

    2015-12-01

    We present a density functional perturbation theory approach to estimate the transition temperature of the charge density wave transition of TiS e2 . The softening of the phonon mode at the L point where in TiS e2 a giant Kohn anomaly occurs, and the energy difference between the normal and distorted phase are analyzed. Both features are studied as functions of the electronic temperature, which corresponds to the Fermi-Dirac distribution smearing value in the calculation. The transition temperature is found to be 500 and 600 K by phonon and energy analysis, respectively, in reasonable agreement with the experimental value of 200 K.

  4. High-speed asynchronous optical sampling for high-sensitivity detection of coherent phonons

    NASA Astrophysics Data System (ADS)

    Dekorsy, T.; Taubert, R.; Hudert, F.; Schrenk, G.; Bartels, A.; Cerna, R.; Kotaidis, V.; Plech, A.; Köhler, K.; Schmitz, J.; Wagner, J.

    2007-12-01

    A new optical pump-probe technique is implemented for the investigation of coherent acoustic phonon dynamics in the GHz to THz frequency range which is based on two asynchronously linked femtosecond lasers. Asynchronous optical sampling (ASOPS) provides the performance of on all-optical oscilloscope and allows us to record optically induced lattice dynamics over nanosecond times with femtosecond resolution at scan rates of 10 kHz without any moving part in the set-up. Within 1 minute of data acquisition time signal-to-noise ratios better than 107 are achieved. We present examples of the high-sensitivity detection of coherent phonons in superlattices and of the coherent acoustic vibration of metallic nanoparticles.

  5. Amplitude-dependent topological edge states in nonlinear phononic lattices

    NASA Astrophysics Data System (ADS)

    Pal, Raj Kumar; Vila, Javier; Leamy, Michael; Ruzzene, Massimo

    2018-03-01

    This work investigates the effect of nonlinearities on topologically protected edge states in one- and two-dimensional phononic lattices. We first show that localized modes arise at the interface between two spring-mass chains that are inverted copies of each other. Explicit expressions derived for the frequencies of the localized modes guide the study of the effect of cubic nonlinearities on the resonant characteristics of the interface, which are shown to be described by a Duffing-like equation. Nonlinearities produce amplitude-dependent frequency shifts, which in the case of a softening nonlinearity cause the localized mode to migrate to the bulk spectrum. The case of a hexagonal lattice implementing a phononic analog of a crystal exhibiting the quantum spin Hall effect is also investigated in the presence of weakly nonlinear cubic springs. An asymptotic analysis provides estimates of the amplitude dependence of the localized modes, while numerical simulations illustrate how the lattice response transitions from bulk-to-edge mode-dominated by varying the excitation amplitude. In contrast with the interface mode of the first example studies, this occurs both for hardening and softening springs. The results of this study provide a theoretical framework for the investigation of nonlinear effects that induce and control topologically protected wave modes through nonlinear interactions and amplitude tuning.

  6. Transmission eigenchannels for coherent phonon transport

    NASA Astrophysics Data System (ADS)

    Klöckner, J. C.; Cuevas, J. C.; Pauly, F.

    2018-04-01

    We present a procedure to determine transmission eigenchannels for coherent phonon transport in nanoscale devices using the framework of nonequilibrium Green's functions. We illustrate our procedure by analyzing a one-dimensional chain, where all steps can be carried out analytically. More importantly, we show how the procedure can be combined with ab initio calculations to provide a better understanding of phonon heat transport in realistic atomic-scale junctions. In particular, we study the phonon eigenchannels in a gold metallic atomic-size contact and different single-molecule junctions based on molecules such as an alkane chain, a brominated benzene-diamine, where destructive phonon interference effects take place, and a C60 junction.

  7. Role of direct electron-phonon coupling across metal-semiconductor interfaces in thermal transport via molecular dynamics.

    PubMed

    Lin, Keng-Hua; Strachan, Alejandro

    2015-07-21

    Motivated by significant interest in metal-semiconductor and metal-insulator interfaces and superlattices for energy conversion applications, we developed a molecular dynamics-based model that captures the thermal transport role of conduction electrons in metals and heat transport across these types of interface. Key features of our model, denoted eleDID (electronic version of dynamics with implicit degrees of freedom), are the natural description of interfaces and free surfaces and the ability to control the spatial extent of electron-phonon (e-ph) coupling. Non-local e-ph coupling enables the energy of conduction electrons to be transferred directly to the semiconductor/insulator phonons (as opposed to having to first couple to the phonons in the metal). We characterize the effect of the spatial e-ph coupling range on interface resistance by simulating heat transport through a metal-semiconductor interface to mimic the conditions of ultrafast laser heating experiments. Direct energy transfer from the conduction electrons to the semiconductor phonons not only decreases interfacial resistance but also increases the ballistic transport behavior in the semiconductor layer. These results provide new insight for experiments designed to characterize e-ph coupling and thermal transport at the metal-semiconductor/insulator interfaces.

  8. Resonant inelastic x-ray scattering probes the electron-phonon coupling in the spin liquid κ -(BEDT-TTF)2Cu2(CN) 3

    NASA Astrophysics Data System (ADS)

    Ilakovac, V.; Carniato, S.; Foury-Leylekian, P.; Tomić, S.; Pouget, J.-P.; Lazić, P.; Joly, Y.; Miyagawa, K.; Kanoda, K.; Nicolaou, A.

    2017-11-01

    Resonant inelastic x-ray scattering at the N K edge reveals clearly resolved harmonics of the anion plane vibrations in the κ -(BEDT-TTF) 2Cu2 (CN) 3 spin-liquid insulator. Tuning the incoming light energy at the K edge of two distinct N sites permits us to excite different sets of phonon modes. The cyanide (CN) stretching mode is selected at the edge of the ordered N sites which are more strongly connected to the bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) molecules, while positionally disordered N sites show multimode excitation. Combining measurements with calculations on an anion plane cluster permits us to estimate the site-dependent electron-phonon coupling of the modes related to nitrogen excitation.

  9. Lattice stability and thermal properties of Fe2VAl and Fe2TiSn Heusler compounds

    NASA Astrophysics Data System (ADS)

    Shastri, Shivprasad S.; Pandey, Sudhir K.

    2018-04-01

    Fe2VAl and Fe2TiSn are two full-Heusler compounds with non-magnetic ground states. They have application as potential thermoelectric materials. Along with first-principles electronic structure calculations, phonon calculation is one of the important tools in condensed matter physics and material science. Phonon calculations are important in understanding mechanical properties, thermal properties and phase transitions of periodic solids. A combination of electronic structure code and phonon calculation code - phonopy is employed in this work. The vibrational spectra, phonon DOS and thermal properties are studied for these two Heusler compounds. Two compounds are found to be dynamically stable with absence of negative frequencies (energy) in the phonon band structure.

  10. THz elastic dynamics in finite-size CoFeB-MgO phononic superlattices

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ulrichs, Henning, E-mail: hulrich@gwdg.de; Meyer, Dennis; Müller, Markus

    2016-10-14

    In this article, we present the observation of coherent elastic dynamics in a nano-scale phononic superlattice, which consists of only 4 bilayers. We demonstrate how ultra-short light pulses with a length of 40 fs can be utilized to excite a coherent elastic wave at 0.535 THz, which persist over about 20 ps. In later steps of the elastic dynamics, modes with frequency of 1.7 THz and above appear. All these modes are related to acoustic band gaps. Thus, the periodicity strongly manifests in the wave physics, although the system under investigation has only a small number of spatial periods. Tomore » further illustrate this, we show how by breaking the translational invariance of the superlattice, these features can be suppressed. Discussed in terms of phonon blocking and radiation, we elucidate in how far our structures can be considered as useful building blocks for phononic devices.« less

  11. Phononic glass: a robust acoustic-absorption material.

    PubMed

    Jiang, Heng; Wang, Yuren

    2012-08-01

    In order to achieve strong wide band acoustic absorption under high hydrostatic pressure, an interpenetrating network structure is introduced into the locally resonant phononic crystal to fabricate a type of phononic composite material called "phononic glass." Underwater acoustic absorption coefficient measurements show that the material owns high underwater sound absorption coefficients over 0.9 in 12-30 kHz. Moreover, the quasi-static compressive behavior shows that the phononic glass has a compressive strength over 5 MPa which is crucial for underwater applications.

  12. A new class of tunable hypersonic phononic crystals based on polymer-tethered colloids

    PubMed Central

    Alonso-Redondo, E.; Schmitt, M.; Urbach, Z.; Hui, C. M.; Sainidou, R.; Rembert, P.; Matyjaszewski, K.; Bockstaller, M. R.; Fytas, G.

    2015-01-01

    The design and engineering of hybrid materials exhibiting tailored phononic band gaps are fundamentally relevant to innovative material technologies in areas ranging from acoustics to thermo-optic devices. Phononic hybridization gaps, originating from the anti-crossing between local resonant and propagating modes, have attracted particular interest because of their relative robustness to structural disorder and the associated benefit to ‘manufacturability'. Although hybridization gap materials are well known, their economic fabrication and efficient control of the gap frequency have remained elusive because of the limited property variability and expensive fabrication methodologies. Here we report a new strategy to realize hybridization gap materials by harnessing the ‘anisotropic elasticity' across the particle–polymer interface in densely polymer-tethered colloidal particles. Theoretical and Brillouin scattering analysis confirm both the robustness to disorder and the tunability of the resulting hybridization gap and provide guidelines for the economic synthesis of new materials with deliberately controlled gap position and width frequencies. PMID:26390851

  13. A new class of tunable hypersonic phononic crystals based on polymer-tethered colloids.

    PubMed

    Alonso-Redondo, E; Schmitt, M; Urbach, Z; Hui, C M; Sainidou, R; Rembert, P; Matyjaszewski, K; Bockstaller, M R; Fytas, G

    2015-09-22

    The design and engineering of hybrid materials exhibiting tailored phononic band gaps are fundamentally relevant to innovative material technologies in areas ranging from acoustics to thermo-optic devices. Phononic hybridization gaps, originating from the anti-crossing between local resonant and propagating modes, have attracted particular interest because of their relative robustness to structural disorder and the associated benefit to 'manufacturability'. Although hybridization gap materials are well known, their economic fabrication and efficient control of the gap frequency have remained elusive because of the limited property variability and expensive fabrication methodologies. Here we report a new strategy to realize hybridization gap materials by harnessing the 'anisotropic elasticity' across the particle-polymer interface in densely polymer-tethered colloidal particles. Theoretical and Brillouin scattering analysis confirm both the robustness to disorder and the tunability of the resulting hybridization gap and provide guidelines for the economic synthesis of new materials with deliberately controlled gap position and width frequencies.

  14. Raman scattering from TO phonons in (GaAs)n/(AlAs)n superlattices

    NASA Astrophysics Data System (ADS)

    Wang, Z. P.; Han, H. X.; Li, G. H.; Jiang, D. S.; Ploog, K.

    1988-10-01

    (GaAS)n/(AlAs)n superlattices with n=4, 6, and 8 grown by molecular-beam epitaxy on (001)-oriented GaAs substrates were investigated by Raman scattering. In a strict backscattering geometry, confined TO-phonon modes with E symmetry are Raman forbidden. However, the effects due to near-Brewster-angle incidence and a large aperture of the scattering-light collecting lens create a small wave-vector component along the (110) orientation, and thus induce a Raman activity of TO phonons. When we take X∥[11¯0], Y∥[110], and Z∥[001], in the near-Z(YX)Z¯ backscattering configuration confined LO-phonon modes are Raman inactive. Using this configuration, we have for the first time observed both GaAs-like and AlAs-like confined TO-phonon modes at room temperature and under off-resonance conditions.

  15. Electron-plasmon and electron-phonon satellites in the angle-resolved photoelectron spectra of n -doped anatase TiO2

    NASA Astrophysics Data System (ADS)

    Caruso, Fabio; Verdi, Carla; Poncé, Samuel; Giustino, Feliciano

    2018-04-01

    We develop a first-principles approach based on many-body perturbation theory to investigate the effects of the interaction between electrons and carrier plasmons on the electronic properties of highly doped semiconductors and oxides. Through the evaluation of the electron self-energy, we account simultaneously for electron-plasmon and electron-phonon coupling in theoretical calculations of angle-resolved photoemission spectra, electron linewidths, and relaxation times. We apply this methodology to electron-doped anatase TiO2 as an illustrative example. The simulated spectra indicate that electron-plasmon coupling in TiO2 underpins the formation of satellites at energies comparable to those of polaronic spectral features. At variance with phonons, however, the energy of plasmons and their spectral fingerprints depends strongly on the carrier concentration, revealing a complex interplay between plasmon and phonon satellites. The electron-plasmon interaction accounts for approximately 40% of the total electron-boson interaction strength, and it is key to improve the agreement with measured quasiparticle spectra.

  16. Electron-phonon coupling and phonon subbands in small, electrically heated metal wires

    NASA Astrophysics Data System (ADS)

    Perrin, N.; Wybourne, M. N.

    1996-02-01

    The initial work of Perrin and Budd is extended to small metal wires in which the usual bulk phonon spectrum is modified into a series of acoustic subbands at low temperature. We analyze the contribution of the subbands to the lack of equilibrium between the electrons and the phonons in the wire heated by an applied electric field. The resulting electrical behavior of the wire is also considered and compared to experimental results.

  17. Transport properties of coupled quantum dots in the presence of phonons

    NASA Astrophysics Data System (ADS)

    Martins, G.; Al-Hassanieh, K.

    2005-03-01

    Here is presented the numerical study of the effect of Holstein phonons in the transport properties of two coupled quantum dots (QDs) in the Kondo regime. For the QDs we use the Anderson impurity model and each QD is coupled to a different Holstein mode. At T=0, in the absence of phonons, and with 1 electron per dot, the usual splitting of the Kondo resonance is observed.^1 When the QDs are coupled to the phonons, there is a reduction of the effective Coulomb repulsion, which is explained through a canonical transformation. In addition, the conductance at the electron-hole symmetric gate potential is not affected by the phonons. This is caused by the modulation of the coupling factors.^2 The difference between the effects of phonons in lithographic QDs and in molecular conductors is also discussed. 1- C.A. Büsser et al, Phys. Rev. B 62, 9907 (2000). 2- K.A. Al-Hassanieh, C.A. Büsser, G.B. Martins, Adriana Moreo and Elbio Dagotto (preprint)

  18. Intrinsic phonon-limited charge carrier mobilities in thermoelectric SnSe

    NASA Astrophysics Data System (ADS)

    Ma, Jinlong; Chen, Yani; Li, Wu

    2018-05-01

    Within the past few years, tin selenide (SnSe) has attracted intense interest due to its remarkable thermoelectric potential for both n - and p -type crystals. In this work, the intrinsic phonon-limited electron/hole mobilities of SnSe are investigated using a Boltzmann transport equation based on first-principles calculated electron-phonon interactions. We find that the electrons have much larger mobilities than the holes. At room temperature, the mobilities of electrons along the a , b , and c axes are 325, 801, and 623 cm2/V s, respectively, whereas those of holes are 100, 299, and 291 cm2/V s, respectively. The anisotropy of mobilities is consistent with the reciprocal effective mass at band edges. The mode-specific analysis shows that the highest longitudinal optical phonons, rather than previously assumed acoustic phonons, dominate the scattering processes and consequently the mobilities in SnSe. The room-temperature largest mean free paths of electrons and holes in SnSe are about 21 and 13 nm, respectively.

  19. Influence of electronic band topology on phonon properties in Dirac materials

    NASA Astrophysics Data System (ADS)

    Garate, Ion; Saha, Kush; Légaré, Katherine

    2015-03-01

    In Dirac materials, the interaction between electrons and long-wavelength phonons has been shown to induce and stabilize topological insulation [1-2]. Here report on a theoretical study of the converse effect, namely the influence of band topology on phonon properties. We calculate how electron-phonon interactions change the bulk phonon dispersion as a function of pressure and temperature, in both trivial and topological phases. We find that (i) topological insulators are more prone to lattice instabilities than trivial insulators, and (ii) Raman and neutron scattering measurements can be used to determine the electronic band topology. Research funded by Canada's NSERC and Québec's RQMP.

  20. Material and Phonon Engineering for Next Generation Acoustic Devices

    NASA Astrophysics Data System (ADS)

    Kuo, Nai-Kuei

    This thesis presents the theoretical and experimental work related to micromachining of low intrinsic loss sapphire and phononic crystals for engineering new classes of electroacoustic devices for frequency control applications. For the first time, a low loss sapphire suspended membrane was fabricated and utilized to form the main body of a piezoelectric lateral overtone bulk acoustic resonator (LOBAR). Since the metalized piezoelectric transducer area in a LOBAR is only a small fraction of the overall resonant cavity (made out of sapphire), high quality factor (Q) overtones are attained. The experiment confirms the low intrinsic mechanical loss of the transferred sapphire thin film, and the resonators exhibit the highest Q of 5,440 at 2.8 GHz ( f·Q of 1.53.1013 Hz). This is also the highest f·Q demonstrated for aluminum-nitride-(AIN)-based Lamb wave devices to date. Beyond demonstrating a low loss device, this experimental work has laid the foundation for the future development of new micromechanical devices based on a high Q, high hardness and chemically resilient material. The search for alternative ways to more efficiently perform frequency control functionalities lead to the exploration of Phononic Crystal (PnC) structures in AIN thin films. Four unit cell designs were theoretically and experimentally investigated to explore the behavior of phononic bandgaps (PBGs) in the ultra high frequency (UHF) range: (i) the conventional square lattice with circular air scatterer, (ii) the inverse acoustic bandgap (IABG) structure, (iii) the fractal PnC, and (iv) the X-shaped PnC. Each unit cell has its unique frequency characteristic that was exploited to synthesize either cavity resonators or improve the performance of acoustic delay lines. The PBGs operate in the range of 770 MHz to 1 GHz and exhibit a maximum acoustic rejection of 40 dB. AIN Lamb wave transducers (LWTs) were employed for the experimental demonstration of the PBGs and cavity resonances. Ultra

  1. Controlling thermal emission of phonon by magnetic metasurfaces

    PubMed Central

    Zhang, X.; Liu, H.; Zhang, Z. G.; Wang, Q.; Zhu, S. N.

    2017-01-01

    Our experiment shows that the thermal emission of phonon can be controlled by magnetic resonance (MR) mode in a metasurface (MTS). Through changing the structural parameter of metasurface, the MR wavelength can be tuned to the phonon resonance wavelength. This introduces a strong coupling between phonon and MR, which results in an anticrossing phonon-plasmons mode. In the process, we can manipulate the polarization and angular radiation of thermal emission of phonon. Such metasurface provides a new kind of thermal emission structures for various thermal management applications. PMID:28157206

  2. Quantum many-body correlations in collective phonon-excitations

    NASA Astrophysics Data System (ADS)

    Droenner, Leon; Kabuss, Julia; Carmele, Alexander

    2018-02-01

    We present a theoretical study of a many-emitter phonon laser based on optically driven semiconductor quantum dots placed within an acoustic nanocavity. A transformation of the phonon laser Hamiltonian leads to a Tavis-Cummings type interaction with an unexpected additional many-emitter energy shift. This many-emitter interaction with the cavity mode results in a variety of phonon resonances which dependent strongly on the number of participating emitters. These collective resonances show the highest phonon output. Furthermore, we show that the output can be increased even more via lasing at the two phonon resonance.

  3. Heterodyne x-ray diffuse scattering from coherent phonons

    DOE PAGES

    Kozina, M.; Trigo, M.; Chollet, M.; ...

    2017-08-10

    Here in this paper, we report Fourier-transform inelastic x-ray scattering measurements of photoexcited GaAs with embedded ErAs nanoparticles. We observe temporal oscillations in the x-ray scattering intensity, which we attribute to inelastic scattering from coherent acoustic phonons. Unlike in thermal equilibrium, where inelastic x-ray scattering is proportional to the phonon occupation, we show that the scattering is proportional to the phonon amplitude for coherent states. The wavevectors of the observed phonons extend beyond the excitation wavevector. The nanoparticles break the discrete translational symmetry of the lattice, enabling the generation of large wavevector coherent phonons. Elastic scattering of x-ray photons frommore » the nanoparticles provides a reference for heterodyne mixing, yielding signals proportional to the phonon amplitude.« less

  4. Band structures in a two-dimensional phononic crystal with rotational multiple scatterers

    NASA Astrophysics Data System (ADS)

    Song, Ailing; Wang, Xiaopeng; Chen, Tianning; Wan, Lele

    2017-03-01

    In this paper, the acoustic wave propagation in a two-dimensional phononic crystal composed of rotational multiple scatterers is investigated. The dispersion relationships, the transmission spectra and the acoustic modes are calculated by using finite element method. In contrast to the system composed of square tubes, there exist a low-frequency resonant bandgap and two wide Bragg bandgaps in the proposed structure, and the transmission spectra coincide with band structures. Specially, the first bandgap is based on locally resonant mechanism, and the simulation results agree well with the results of electrical circuit analogy. Additionally, increasing the rotation angle can remarkably influence the band structures due to the transfer of sound pressure between the internal and external cavities in low-order modes, and the redistribution of sound pressure in high-order modes. Wider bandgaps are obtained in arrays composed of finite unit cells with different rotation angles. The analysis results provide a good reference for tuning and obtaining wide bandgaps, and hence exploring the potential applications of the proposed phononic crystal in low-frequency noise insulation.

  5. Nonperturbative Quantum Nature of the Dislocation–Phonon Interaction

    DOE PAGES

    Li, Mingda; Ding, Zhiwei; Meng, Qingping; ...

    2017-01-31

    Despite the long history of dislocation–phonon interaction studies, there are many problems that have not been fully resolved during this development. These include an incompatibility between a perturbative approach and the long-range nature of a dislocation, the relation between static and dynamic scattering, and their capability of dealing with thermal transport phenomena for bulk material only. Here in this paper, by utilizing a fully quantized dislocation field, which we called a “dislon”, a phonon interacting with a dislocation is renormalized as a quasi-phonon, with shifted quasi-phonon energy, and accompanied by a finite quasi-phonon lifetime, which are reducible to classical results.more » A series of outstanding legacy issues including those above can be directly explained within this unified phonon renormalization approach. For instance, a renormalized phonon naturally resolves the decade-long debate between dynamic and static dislocation–phonon scattering approaches, as two limiting cases. In particular, at nanoscale, both the dynamic and static approaches break down, while the present renormalization approach remains valid by capturing the size effect, showing good agreement with lattice dynamics simulations.« less

  6. Nonperturbative Quantum Nature of the Dislocation–Phonon Interaction

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Li, Mingda; Ding, Zhiwei; Meng, Qingping

    Despite the long history of dislocation–phonon interaction studies, there are many problems that have not been fully resolved during this development. These include an incompatibility between a perturbative approach and the long-range nature of a dislocation, the relation between static and dynamic scattering, and their capability of dealing with thermal transport phenomena for bulk material only. Here in this paper, by utilizing a fully quantized dislocation field, which we called a “dislon”, a phonon interacting with a dislocation is renormalized as a quasi-phonon, with shifted quasi-phonon energy, and accompanied by a finite quasi-phonon lifetime, which are reducible to classical results.more » A series of outstanding legacy issues including those above can be directly explained within this unified phonon renormalization approach. For instance, a renormalized phonon naturally resolves the decade-long debate between dynamic and static dislocation–phonon scattering approaches, as two limiting cases. In particular, at nanoscale, both the dynamic and static approaches break down, while the present renormalization approach remains valid by capturing the size effect, showing good agreement with lattice dynamics simulations.« less

  7. Surface phononic graphene

    NASA Astrophysics Data System (ADS)

    Yu, Si-Yuan; Sun, Xiao-Chen; Ni, Xu; Wang, Qing; Yan, Xue-Jun; He, Cheng; Liu, Xiao-Ping; Feng, Liang; Lu, Ming-Hui; Chen, Yan-Feng

    2016-12-01

    Strategic manipulation of wave and particle transport in various media is the key driving force for modern information processing and communication. In a strongly scattering medium, waves and particles exhibit versatile transport characteristics such as localization, tunnelling with exponential decay, ballistic, and diffusion behaviours due to dynamical multiple scattering from strong scatters or impurities. Recent investigations of graphene have offered a unique approach, from a quantum point of view, to design the dispersion of electrons on demand, enabling relativistic massless Dirac quasiparticles, and thus inducing low-loss transport either ballistically or diffusively. Here, we report an experimental demonstration of an artificial phononic graphene tailored for surface phonons on a LiNbO3 integrated platform. The system exhibits Dirac quasiparticle-like transport, that is, pseudo-diffusion at the Dirac point, which gives rise to a thickness-independent temporal beating for transmitted pulses, an analogue of Zitterbewegung effects. The demonstrated fully integrated artificial phononic graphene platform here constitutes a step towards on-chip quantum simulators of graphene and unique monolithic electro-acoustic integrated circuits.

  8. Tailoring the nature and strength of electron-phonon interactions in the SrTiO3(001) 2D electron liquid

    NASA Astrophysics Data System (ADS)

    Wang, Z.; McKeown Walker, S.; Tamai, A.; Wang, Y.; Ristic, Z.; Bruno, F. Y.; de la Torre, A.; Riccò, S.; Plumb, N. C.; Shi, M.; Hlawenka, P.; Sánchez-Barriga, J.; Varykhalov, A.; Kim, T. K.; Hoesch, M.; King, P. D. C.; Meevasana, W.; Diebold, U.; Mesot, J.; Moritz, B.; Devereaux, T. P.; Radovic, M.; Baumberger, F.

    2016-08-01

    Surfaces and interfaces offer new possibilities for tailoring the many-body interactions that dominate the electrical and thermal properties of transition metal oxides. Here, we use the prototypical two-dimensional electron liquid (2DEL) at the SrTiO3(001) surface to reveal a remarkably complex evolution of electron-phonon coupling with the tunable carrier density of this system. At low density, where superconductivity is found in the analogous 2DEL at the LaAlO3/SrTiO3 interface, our angle-resolved photoemission data show replica bands separated by 100 meV from the main bands. This is a hallmark of a coherent polaronic liquid and implies long-range coupling to a single longitudinal optical phonon branch. In the overdoped regime the preferential coupling to this branch decreases and the 2DEL undergoes a crossover to a more conventional metallic state with weaker short-range electron-phonon interaction. These results place constraints on the theoretical description of superconductivity and allow a unified understanding of the transport properties in SrTiO3-based 2DELs.

  9. Twisting phonons in complex crystals with quasi-one-dimensional substructures [Twisting Phonons in Higher Manganese Silicides with a Complex Nowotny Chimney Ladder Structure

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Abernathy, Douglas L.; Ma, Jie; Yan, Jiaqiang

    A variety of crystals contain quasi-one-dimensional substructures, which yield distinctive electronic, spintronic, optical and thermoelectric properties. There is a lack of understanding of the lattice dynamics that influences the properties of such complex crystals. Here we employ inelastic neutron scatting measurements and density functional theory calculations to show that numerous low-energy optical vibrational modes exist in higher manganese silicides, an example of such crystals. These optical modes, including unusually low-frequency twisting motions of the Si ladders inside the Mn chimneys, provide a large phase space for scattering acoustic phonons. A hybrid phonon and diffuson model is proposed to explain themore » low and anisotropic thermal conductivity of higher manganese silicides and to evaluate nanostructuring as an approach to further suppress the thermal conductivity and enhance the thermoelectric energy conversion efficiency. This discovery offers new insights into the structure-property relationships of a broad class of materials with quasi-one-dimensional substructures for various applications.« less

  10. Twisting phonons in complex crystals with quasi-one-dimensional substructures [Twisting Phonons in Higher Manganese Silicides with a Complex Nowotny Chimney Ladder Structure

    DOE PAGES

    Abernathy, Douglas L.; Ma, Jie; Yan, Jiaqiang; ...

    2015-04-15

    A variety of crystals contain quasi-one-dimensional substructures, which yield distinctive electronic, spintronic, optical and thermoelectric properties. There is a lack of understanding of the lattice dynamics that influences the properties of such complex crystals. Here we employ inelastic neutron scatting measurements and density functional theory calculations to show that numerous low-energy optical vibrational modes exist in higher manganese silicides, an example of such crystals. These optical modes, including unusually low-frequency twisting motions of the Si ladders inside the Mn chimneys, provide a large phase space for scattering acoustic phonons. A hybrid phonon and diffuson model is proposed to explain themore » low and anisotropic thermal conductivity of higher manganese silicides and to evaluate nanostructuring as an approach to further suppress the thermal conductivity and enhance the thermoelectric energy conversion efficiency. This discovery offers new insights into the structure-property relationships of a broad class of materials with quasi-one-dimensional substructures for various applications.« less

  11. Unified phonon-based approach to the thermodynamics of solid, liquid and gas states

    NASA Astrophysics Data System (ADS)

    Bolmatov, Dima; Zav'yalov, Dmitry; Zhernenkov, Mikhail; Musaev, Edvard T.; Cai, Yong Q.

    2015-12-01

    We introduce a unified approach to states of matter (solid, liquid and gas) and describe the thermodynamics of the pressure-temperature phase diagram in terms of phonon excitations. We derive the effective Hamiltonian with low-energy cutoff in two transverse phonon polarizations (phononic band gaps) by breaking the symmetry in phonon interactions. Further, we construct the statistical mechanics of states of aggregation employing the Debye approximation. The introduced formalism covers the Debye theory of solids, the phonon theory of liquids, and thermodynamic limits such as the Dulong-Petit thermodynamic limit (cV = 3kB), the ideal gas limit (cV =3/2 kB) and the new thermodynamic limit (cV = 2kB), dubbed here the Frenkel line thermodynamic limit. We discuss the phonon propagation and localization effects in liquids above and below the Frenkel line, and explain the "fast sound" phenomenon. As a test for our theory we calculate velocity-velocity autocorrelation and pair distribution functions within the Green-Kubo formalism. We show the consistency between dynamics of phonons and pair correlations in the framework of the unified approach. New directions towards advancements in phononic band gaps engineering, hypersound manipulation technologies and exploration of exotic behaviour of fluids relevant to geo- and planetary sciences are discussed. The presented results are equally important both for practical implications and for fundamental research.

  12. Using high pressure to study thermal transport and phonon scattering mechanisms

    NASA Astrophysics Data System (ADS)

    Hohensee, Gregory Thomas

    intrinsic phonon-mediated interface conductance between dissimilar materials, I applied DAC-TDTR to measure the thermal conductance of a series of metal-diamond interfaces as a function of pressure up to 50 GPa. The thermal conductance of interfaces between metals and diamond, which has a comparatively high Debye temperature, is often greater than can be accounted for by two phonon-processes, and the nature of heat transport between such dissimilar materials is central to the thermal design of composite materials. The high pressures achievable in a diamond anvil cell can significantly extend the metal phonon density of states to higher frequencies, and can also suppress extrinsic effects by greatly stiffening interface bonding. I measured the interface thermal conductances of Pb, Au0.95Pd0.05, Pt, and Al films deposited on Type 1A natural [100] and Type 2A synthetic [110] diamond anvils, from ambient pressure to 50 GPa. In all cases, the thermal conductances increase weakly or saturate to similar values at high pressure. My results suggest that anharmonic conductance at metal-diamond interfaces is controlled by partial transmission processes, where a diamond phonon that inelastically scatters at the interface absorbs or emits a metal phonon. The thermal conductivity and absolute electrical resistivity of metallic silicon have not been measured previously. I performed regular and beam-offset TDTR to establish the thermal conductivities of Si and Si0.991Ge 0.009 across the semiconductor-metal phase transition and up to 45 GPa. The thermal conductivities of metallic Si and Si(Ge) are comparable to aluminum and indicative of predominantly electronic heat carriers. Metallic Si and Si(Ge) have a transport anisotropy of approximately 1.4, similar to that of beryllium, due to the primitive hexagonal crystal structure. I used the Wiedemann-Franz law to derive the associated electrical resistivity, and found it consistent with the Bloch-Gruneisen model. Not all crystalline point

  13. Analytical Modeling of Acoustic Phonon-Limited Mobility in Strained Graphene Nanoribbons

    NASA Astrophysics Data System (ADS)

    Yousefvand, Ali; Ahmadi, Mohammad T.; Meshginqalam, Bahar

    2017-11-01

    Recent advances in graphene nanoribbon-based electronic devices encourage researchers to develop modeling and simulation methods to explore device physics. On the other hand, increasing the operating speed of nanoelectronic devices has recently attracted significant attention, and the modification of acoustic phonon interactions because of their important effect on carrier mobility can be considered as a method for carrier mobility optimization which subsequently enhances the device speed. Moreover, strain has an important influence on the electronic properties of the nanoelectronic devices. In this paper, the acoustic phonons mobility of armchair graphene nanoribbons ( n-AGNRs) under uniaxial strain is modeled analytically. In addition, strain, width and temperature effects on the acoustic phonon mobility of strained n-AGNRs are investigated. An increment in the strained AGNR acoustic phonon mobility by increasing the ribbon width is reported. Additionally, two different behaviors for the acoustic phonon mobility are verified by increasing the applied strain in 3 m, 3 m + 2 and 3 m + 1 AGNRs. Finally, the temperature effect on the modeled AGNR phonon mobility is explored, and mobility reduction by raising the temperature is reported.

  14. Logistic characteristics of phonon transport in silicon thin film: the S-curve

    NASA Astrophysics Data System (ADS)

    Yilbas, B. S.; Mansoor, S. Bin

    2013-10-01

    The logistic characteristics of the averaged heat flux are investigated across the thin film incorporating the S-curve. Temporal behaviour of the heat flux vector is computed using the Boltzmann transport equation. The dispersion relations are introduced to account for the frequency dependent phonon transport across the film. The influence of film width on the characteristics of the averaged heat flux is also examined. It is found that temporal behaviour of the averaged heat flux follows the S-curve. The S-curve characteristics change for different film widths. The time to reach 95% steady value of the averaged heat flux is short for the film with small widths, which is attributed to the ballistic behaviour of phonons in the film.

  15. Synchrotron x-ray thermal diffuse scattering probes for phonons in Si/SiGe/Si trilayer nanomembranes

    DOE PAGES

    McElhinny, Kyle M.; Gopalakrishnan, Gokul; Savage, Donald E.; ...

    2016-05-17

    Nanostructures offer the opportunity to control the vibrational properties of via the scattering of phonons due to boundaries and mass disorder as well as through changes in the phonon dispersion due to spatial confinement. Advances in understanding these effects have the potential to lead to thermoelectrics with an improved figure of merit by lowering the thermal conductivity and to provide insight into electron-phonon scattering rates in nanoelectronics. However, characterizing the phonon population in nanomaterials has been challenging because of their small volume and because optical techniques probe only a small fraction of reciprocal space. Recent developments in x-ray scattering nowmore » allow the phonon population to be evaluated across all of reciprocal space in samples with volumes as small as several cubic micrometers. We apply this approach, synchrotron x-ray thermal diffuse scattering (TDS), to probe the population of phonons within a Si/SiGe/Si trilayer nanomembrane. The distributions of scattered intensity from Si/SiGe/Si trilayer nanomembranes and Si nanomembranes with uniform composition are qualitatively similar, with features arising from the elastic anisotropy of the diamond structure. The TDS signal for the Si/SiGe/Si nanomembrane, however, has higher intensity than the Si membrane of the same total thickness by approximately 3.75%. Possible origins of the enhancement in scattering from SiGe in comparison with Si include the larger atomic scattering factor of Ge atoms within the SiGe layer or reduced phonon frequencies due to alloying.« less

  16. Hot carrier and hot phonon coupling during ultrafast relaxation of photoexcited electrons in graphene

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Iglesias, J. M.; Martín, M. J.; Pascual, E.

    2016-01-25

    We study, by means of a Monte Carlo simulator, the hot phonon effect on the relaxation dynamics in photoexcited graphene and its quantitative impact as compared with considering an equilibrium phonon distribution. Our multi-particle approach indicates that neglecting the hot phonon effect significantly underestimates the relaxation times in photoexcited graphene. The hot phonon effect is more important for a higher energy of the excitation pulse and photocarrier densities between 1 and 3 × 10{sup 12 }cm{sup −2}. Acoustic intervalley phonons play a non-negligible role, and emitted phonons with wavelengths limited up by a maximum (determined by the carrier concentration) induce a slower carriermore » cooling rate. Intrinsic phonon heating is damped in graphene on a substrate due to the additional cooling pathways, with the hot phonon effect showing a strong inverse dependence with the carrier density.« less

  17. Phonon dynamics of graphene on metals

    NASA Astrophysics Data System (ADS)

    Taleb, Amjad Al; Farías, Daniel

    2016-03-01

    The study of surface phonon dispersion curves is motivated by the quest for a detailed understanding of the forces between the atoms at the surface and in the bulk. In the case of graphene, additional motivation comes from the fact that thermal conductivity is dominated by contributions from acoustic phonons, while optical phonon properties are essential to understand Raman spectra. In this article, we review recent progress made in the experimental determination of phonon dispersion curves of graphene grown on several single-crystal metal surfaces. The two main experimental techniques usually employed are high-resolution electron energy loss spectroscopy (HREELS) and inelastic helium atom scattering (HAS). The different dispersion branches provide a detailed insight into the graphene-substrate interaction. Softening of optical modes and signatures of the substrate‧s Rayleigh wave are observed for strong graphene-substrate interactions, while acoustic phonon modes resemble those of free-standing graphene for weakly interacting systems. The latter allows determining the bending rigidity and the graphene-substrate coupling strength. A comparison between theory and experiment is discussed for several illustrative examples. Perspectives for future experiments are discussed.

  18. Theory of Raman scattering in coupled electron-phonon systems

    NASA Astrophysics Data System (ADS)

    Itai, K.

    1992-01-01

    The Raman spectrum is calculated for a coupled conduction-electron-phonon system in the zero-momentum-transfer limit. The Raman scattering is due to electron-hole excitations and phonons as well. The phonons of those branches that contribute to the electron self-energy and the correction of the electron-phonon vertex are assumed to have flat energy dispersion (the Einstein phonons). The effect of electron-impurity scattering is also incorporated. Both the electron-phonon interaction and the electron-impurity interaction cause the fluctuation of the electron distribution between different parts of the Fermi surface, which results in overdamped zero-sound modes of various symmetries. The scattering cross section is obtained by solving the Bethe-Salpeter equation. The spectrum shows a lower threshold at the smallest Einstein phonon energy when only the electron-phonon interaction is taken into consideration. When impurities are also taken into consideration, the threshold disappears.

  19. Migdal's theorem and electron-phonon vertex corrections in Dirac materials

    NASA Astrophysics Data System (ADS)

    Roy, Bitan; Sau, Jay D.; Das Sarma, S.

    2014-04-01

    Migdal's theorem plays a central role in the physics of electron-phonon interactions in metals and semiconductors, and has been extensively studied theoretically for parabolic band electronic systems in three-, two-, and one-dimensional systems over the last fifty years. In the current work, we theoretically study the relevance of Migdal's theorem in graphene and Weyl semimetals which are examples of 2D and 3D Dirac materials, respectively, with linear and chiral band dispersion. Our work also applies to 2D and 3D topological insulator systems. In Fermi liquids, the renormalization of the electron-phonon vertex scales as the ratio of sound (vs) to Fermi (vF) velocity, which is typically a small quantity. In two- and three-dimensional quasirelativistic systems, such as undoped graphene and Weyl semimetals, the one loop electron-phonon vertex renormalization, which also scales as η =vs/vF as η →0, is, however, enhanced by an ultraviolet logarithmic divergent correction, arising from the linear, chiral Dirac band dispersion. Such enhancement of the electron-phonon vertex can be significantly softened due to the logarithmic increment of the Fermi velocity, arising from the long range Coulomb interaction, and therefore, the electron-phonon vertex correction does not have a logarithmic divergence at low energy. Otherwise, the Coulomb interaction does not lead to any additional renormalization of the electron-phonon vertex. Therefore, electron-phonon vertex corrections in two- and three-dimensional Dirac fermionic systems scale as vs/vF0, where vF0 is the bare Fermi velocity, and small when vs≪vF0. These results, although explicitly derived for the intrinsic undoped systems, should hold even when the chemical potential is tuned away from the Dirac points.

  20. Electron-phonon mediated heat flow in disordered graphene

    NASA Astrophysics Data System (ADS)

    Chen, Wei; Clerk, Aashish A.

    2012-09-01

    We calculate the heat flux and electron-phonon thermal conductance in a disordered graphene sheet, going beyond a Fermi’s golden rule approach to fully account for the modification of the electron-phonon interaction by disorder. Using the Keldysh technique combined with standard impurity averaging methods in the regime kFl≫1 (where kF is the Fermi wave vector and l is the mean free path), we consider both scalar potential (i.e., deformation potential) and vector-potential couplings between electrons and phonons. We also consider the effects of electronic screening at the Thomas-Fermi level. We find that the temperature dependence of the heat flux and thermal conductance is sensitive to the presence of disorder and screening, and reflects the underlying chiral nature of electrons in graphene and the corresponding modification of their diffusive behavior. In the case of weak screening, disorder enhances the low-temperature heat flux over the clean system (changing the associated power law from T4 to T3), and the deformation potential dominates. For strong screening, both the deformation potential and vector-potential couplings make comparable contributions, and the low-temperature heat flux obeys a T5 power law.