Emergent Optical Phononic Modes upon Nanoscale Mesogenic Phase Transitions

DOE PAGES

Bolmatov, Dima; Zhernenkov, Mikhail; Sharpnack, Lewis; ...

2017-05-26

The investigation of phononic collective excitations in soft matter systems at the molecular scale has always been challenging due to limitations of experimental techniques in resolving low-energy modes. Recent advances in inelastic X-ray scattering (IXS) enabled the study of such systems with unprecedented spectral contrast at meV excitation energies. In particular, it has become possible to shed light on the low-energy collective motions in materials whose morphology and phase behavior can easily be manipulated, such as mesogenic systems. The understanding of collective mode behavior with a Q-dependence is the key to implement heat management based on the control of amore » sample structure. The latter has great potential for a large number of energy-inspired innovations. As a first step toward this goal, we carried out high contrast IXS measurements on a liquid crystal sample, D7AOB, which exhibits solid-like dynamic features, such as the coexistence of longitudinal and transverse phononic modes. For the first time, we found that these terahertz phononic excitations persist in the crystal, smectic A, and isotropic phases. Furthermore, the intermediate smectic A phase is shown to support a van der Waals-mediated nonhydrodynamic mode with an optical-like phononic behavior. In conclusion, the tunability of the collective excitations at nanometer–terahertz scales via selection of the sample mesogenic phase represents a new opportunity to manipulate optomechanical properties of soft metamaterials.« less

Goldstone-like phonon modes in a (111)-strained perovskite

NASA Astrophysics Data System (ADS)

Marthinsen, A.; Griffin, S. M.; Moreau, M.; Grande, T.; Tybell, T.; Selbach, S. M.

2018-01-01

Goldstone modes are massless particles resulting from spontaneous symmetry breaking. Although such modes are found in elementary particle physics as well as in condensed-matter systems like superfluid helium, superconductors, and magnons, structural Goldstone modes are rare. Epitaxial strain in thin films can induce structures and properties not accessible in bulk and has been intensively studied for (001)-oriented perovskite oxides. Here we predict Goldstone-like phonon modes in (111)-strained SrMn O3 by first-principles calculations. Under compressive strain the coupling between two in-plane rotational instabilities gives rise to a Mexican hat-shaped energy surface characteristic of a Goldstone mode. Conversely, large tensile strain induces in-plane polar instabilities with no directional preference, giving rise to a continuous polar ground state. Such phonon modes with U (1) symmetry could emulate structural condensed-matter Higgs modes. The mass of this Higgs boson, given by the shape of the Mexican hat energy surface, can be tuned by strain through proper choice of substrate.

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.

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.

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

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.

Dephasing of LO-phonon-plasmon hybrid modes in n-type GaAs

NASA Astrophysics Data System (ADS)

Vallée, F.; Ganikhanov, F.; Bogani, F.

1997-11-01

The relaxation dynamics of coherent phononlike LO-phonon-plasmon hybrid modes is investigated in n-doped GaAs using an infrared time-resolved coherent anti-Stokes Raman scattering technique. Measurements performed for different crystal temperatures in the range 10-300 K as a function of the electron density injected by doping show a large reduction of the hybrid mode dephasing time compared to the bare LO-phonon one for densities larger than 1016 cm-3. The results are interpreted in terms of coherent decay of the LO-phonon-plasmon mixed mode in the weak-coupling regime and yield information on the plasmon and electron relaxation. The estimated average electron momentum relaxation times are smaller than those deduced from Hall mobility measurements, as expected from our theoretical model.

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.

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.

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.

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.

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.

Subterahertz Longitudinal Phonon Modes Propagating in a Lipid Bilayer Immersed in an Aqueous Medium

NASA Astrophysics Data System (ADS)

Zakhvataev, V. E.

2018-04-01

The properties of subterahertz longitudinal acoustic phonon modes in the hydrophobic region of a lipid bilayer immersed in a compressible viscous aqueous medium are investigated theoretically. An approximate expression is obtained for the Mandelstam-Brillouin components of the dynamic structure factor of a bilayer. The analysis is based on a generalized hydrodynamic model of the "two-dimensional lipid bilayer + three-dimensional fluid medium" system, as well as on known sharp estimates for the frequencies and lifetimes of long-wavelength longitudinal acoustic phonons in a free hydrated lipid bilayer and in water, obtained from inelastic X-ray scattering experiments and molecular dynamics simulations. It is shown that, for characteristic values of the parameters of the membrane system, subterahertz longitudinal phonon-like excitations in the hydrophobic part of the bilayer are underdamped. In this case, the contribution of the viscous flow of the aqueous medium to the damping of a longitudinal membrane mode is small compared with the contribution of the lipid bilayer. Quantitative estimates of the damping ratio agree well with the experimental results for the vibration mode of the enzyme lysozyme in aqueous solution [1]. It is also shown that a coupling between longitudinal phonon modes of the bilayer and relaxation processes in its fluid environment gives rise to an additional peak in the scattering spectrum, which corresponds to a non-propagating mode.

Thermal transport in bismuth telluride quintuple layer: mode-resolved phonon properties and substrate effects

PubMed Central

Shao, Cheng; Bao, Hua

2016-01-01

The successful exfoliation of atomically-thin bismuth telluride (Bi2Te3) quintuple layer (QL) attracts tremendous research interest in this strongly anharmonic quasi-two-dimensional material. The thermal transport properties of this material are not well understood, especially the mode-wise properties and when it is coupled with a substrate. In this work, we have performed molecular dynamics simulations and normal mode analysis to study the mode-resolved thermal transport in freestanding and supported Bi2Te3 QL. The detailed mode-wise phonon properties are calculated and the accumulated thermal conductivities with respect to phonon mean free path (MFP) are constructed. It is shown that 60% of the thermal transport is contributed by phonons with MFP longer than 20 nm. Coupling with a-SiO2 substrate leads to about 60% reduction of thermal conductivity. Through varying the interfacial coupling strength and the atomic mass of substrate, we also find that phonon in Bi2Te3 QL is more strongly scattered by interfacial potential and its transport process is less affected by the dynamics of substrate. Our study provides an in-depth understanding of heat transport in Bi2Te3 QL and is helpful in further tailoring its thermal property through nanostructuring. PMID:27263656

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.

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.

Orbital angular momentum mode division filtering for photon-phonon coupling

PubMed Central

Zhu, Zhi-Han; Sheng, Li-Wen; Lv, Zhi-Wei; He, Wei-Ming; Gao, Wei

2017-01-01

Stimulated Brillouin scattering (SBS), a fundamental nonlinear interaction between light and acoustic waves occurring in any transparency material, has been broadly studied for several decades and gained rapid progress in integrated photonics recently. However, the SBS noise arising from the unwanted coupling between photons and spontaneous non-coherent phonons in media is inevitable. Here, we propose and experimentally demonstrate this obstacle can be overcome via a method called orbital angular momentum mode division filtering. Owing to the introduction of a new distinguishable degree-of-freedom, even extremely weak signals can be discriminated and separated from a strong noise produced in SBS processes. The mechanism demonstrated in this proof-of-principle work provides a practical way for quasi-noise-free photonic-phononic operation, which is still valid in waveguides supporting multi-orthogonal spatial modes, permits more flexibility and robustness for future SBS devices. PMID:28071736

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.

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.

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.

Analysis of Coherent Phonon Signals by Sparsity-promoting Dynamic Mode Decomposition

NASA Astrophysics Data System (ADS)

Murata, Shin; Aihara, Shingo; Tokuda, Satoru; Iwamitsu, Kazunori; Mizoguchi, Kohji; Akai, Ichiro; Okada, Masato

2018-05-01

We propose a method to decompose normal modes in a coherent phonon (CP) signal by sparsity-promoting dynamic mode decomposition. While the CP signals can be modeled as the sum of finite number of damped oscillators, the conventional method such as Fourier transform adopts continuous bases in a frequency domain. Thus, the uncertainty of frequency appears and it is difficult to estimate the initial phase. Moreover, measurement artifacts are imposed on the CP signal and deforms the Fourier spectrum. In contrast, the proposed method can separate the signal from the artifact precisely and can successfully estimate physical properties of the normal modes.

Optical phonon modes in rhombohedral boron monosulfide under high pressure

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

Cherednichenko, Kirill A.; IMPMC, UPMC Sorbonne Universités, CNRS UMR 7590, 75005 Paris; LSPM–CNRS, Université Paris Nord, 93430 Villetaneuse

2015-05-14

Raman spectra of rhombohedral boron monosulfide (r-BS) were measured under pressures up to 34 GPa at room temperature. No pressure-induced structural phase transition was observed, while strong pressure shift of Raman bands towards higher wavenumbers has been revealed. IR spectroscopy as a complementary technique has been used in order to completely describe the phonon modes of r-BS. All experimentally observed bands have been compared with theoretically calculated ones and modes assignment has been performed. r-BS enriched by {sup 10}B isotope was synthesized, and the effect of boron isotopic substitution on Raman spectra was observed and analyzed.

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

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

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.

Theoretical study of the Raman active CDW gap mode in manganites.

PubMed

Rout, G C; Panda, Saswati; Behera, S N

2010-09-22

We report here the microscopic theory of the Raman spectra of the colossal magnetoresistive (CMR) manganite systems. The system is described by a model Hamiltonian consisting of the double exchange interaction in addition to the charge ordering interaction in the e(g) band and spin-spin interaction among the t(2g) core electrons. Further the phonon coupling to the conduction electron density is incorporated in the model for phonons in the harmonic approximation. The spectral density function for the Raman spectra is calculated from the imaginary part of the phonon Green's function. The calculated spectra display the Raman active bare phonon peak along with the charge ordering peak. The magnetic field and temperature dependence of the charge ordering peak agrees with the 480 cm(-1) JT mode observed in the experiments. The evolution of this mode is investigated in the report.

Unification of the phonon mode behavior in semiconductor alloys: Theory and ab initio calculations

NASA Astrophysics Data System (ADS)

Pagès, O.; Postnikov, A. V.; Kassem, M.; Chafi, A.; Nassour, A.; Doyen, S.

2008-03-01

We demonstrate how to overcome serious problems in understanding and classification of vibration spectra in semiconductor alloys, following from traditional use of the virtual crystal approximation (VCA). We show that such different systems as InGaAs (1- bond→1 -mode behavior), InGaP (modified 2-mode), and ZnTeSe (2- bond→1 -mode) obey, in fact, the same phonon mode behavior—hence probably a universal one—of a percolation type (1- bond→2 -mode). The change of paradigm from the “VCA insight” (an averaged microscopic one) to the “percolation insight” (a mesoscopic one) offers a promising link toward the understanding of alloy disorder. The discussion is supported by ab initio simulation of the phonon density of states at the zone center of representative supercells at intermediary composition (ZnTeSe) and at the impurity-dilute limits (all systems). In particular, we propose a simple ab initio “protocol” to estimate the basic input parameters of our semiempirical “percolation” model for the calculation of the 1- bond→2 -mode vibration spectra of zinc blende alloys. With this, the model turns self-sufficient.

One-way mode transmission in one-dimensional phononic crystal plates

NASA Astrophysics Data System (ADS)

Zhu, Xuefeng; Zou, Xinye; Liang, Bin; Cheng, Jianchun

2010-12-01

We investigate theoretically the band structures of one-dimensional phononic crystal (PC) plates with both antisymmetric and symmetric structures, and show how unidirectional transmission behavior can be obtained for either antisymmetric waves (A modes) or symmetric waves (S modes) by exploiting mode conversion and selection in the linear plate systems. The theoretical approach is illustrated for one PC plate example where unidirectional transmission behavior is obtained in certain frequency bands. Employing harmonic frequency analysis, we numerically demonstrate the one-way mode transmission for the PC plate with finite superlattice by calculating the steady-state displacement fields under A modes source (or S modes source) in forward and backward direction, respectively. The results show that the incident waves from A modes source (or S modes source) are transformed into S modes waves (or A modes waves) after passing through the superlattice in the forward direction and the Lamb wave rejections in the backward direction are striking with a power extinction ratio of more than 1000. The present structure can be easily extended to two-dimensional PC plate and efficiently encourage practical studies of experimental realization which is believed to have much significance for one-way Lamb wave mode transmission.

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.

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.

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.

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.

Electron-phonon scattering rates in complex polar crystals

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

Prange, M. P.; Campbell, L. W.; Kerisit, S.

2017-09-01

The thermalization of fast electrons by phonons is studied in CsI, NaI, SrI2, and YAP. This numerical study uses an improvement to a recently developed ab initio method based on a density functional perturbation theoretical description of the phonon modes that provides a way to go beyond widely used phonon models based on binary crystals. Improvements to this method are described, and scattering rates are presented and discussed. The results here treat polar and nonpolar scattering on equal footing and allow an assessment of the relative importance of the two types of scattering. The relative activity of the numerous phononmore » modes in materials with complicated structures is discussed, and a simple criterion for finding the modes that scatter strongly is presented.« less

Flexocoupling impact on the generalized susceptibility and soft phonon modes in the ordered phase of ferroics

DOE PAGES

Morozovska, Anna N.; Vysochanskii, Yulian M.; Varenyk, Oleksandr V.; ...

2015-09-29

The impact of the flexoelectric effect on the generalized susceptibility and soft phonon dispersion is not well known in the long-range-ordered phases of ferroics. Within the Landau-Ginzburg-Devonshire approach we obtained analytical expressions for the generalized susceptibility and phonon dispersion relations in the ferroelectric phase. The joint action of the static and dynamic flexoelectric effects induces nondiagonal components of the generalized susceptibility, whose amplitude is proportional to the convolution of the spontaneous polarization with the flexocoupling constants. The flexocoupling essentially broadens the k spectrum of the generalized susceptibility and leads to an additional “pushing away” of the optical and acoustic softmore » mode phonon branches. The degeneracy of the transverse optical and acoustic modes disappears in the ferroelectric phase in comparison with the paraelectric phase due to the joint action of flexoelectric coupling and ferroelectric nonlinearity. Lastly, the results obtained might be mainly important for theoretical analyses of a broad spectrum of experimental data, including neutron and Brillouin scattering.« less

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.

Experimental study on slow flexural waves around the defect modes in a phononic crystal beam using fiber Bragg gratings

NASA Astrophysics Data System (ADS)

Chuang, Kuo-Chih; Zhang, Zhi-Qiang; Wang, Hua-Xin

2016-12-01

This work experimentally studies influences of the point defect modes on the group velocity of flexural waves in a phononic crystal Timoshenko beam. Using the transfer matrix method with a supercell technique, the band structures and the group velocities around the defect modes are theoretically obtained. Particularly, to demonstrate the existence of the localized defect modes inside the band gaps, a high-sensitivity fiber Bragg grating sensing system is set up and the displacement transmittance is measured. Slow propagation of flexural waves via defect coupling in the phononic crystal beam is then experimentally demonstrated with Hanning windowed tone burst excitations.

Systematic study of electron-phonon coupling to oxygen modes across the cuprates

NASA Astrophysics Data System (ADS)

Johnston, S.; Vernay, F.; Moritz, B.; Shen, Z.-X.; Nagaosa, N.; Zaanen, J.; Devereaux, T. P.

2010-08-01

The large variations in Tc across the cuprate families is one of the major unsolved puzzles in condensed matter physics and is poorly understood. Although there appears to be a great deal of universality in the cuprates, several orders of magnitude changes in Tc can be achieved through changes in the chemical composition and structure of the unit cell. In this paper we formulate a systematic examination of the variations in electron-phonon coupling to oxygen phonons in the cuprates, incorporating a number of effects arising from several aspects of chemical composition and doping across cuprate families. It is argued that the electron-phonon coupling is a very sensitive probe of the material-dependent variations in chemical structure, affecting the orbital character of the band crossing the Fermi level, the strength of local electric fields arising from structural-induced symmetry breaking, doping-dependent changes in the underlying band structure, and ionicity of the crystal governing the ability of the material to screen c -axis perturbations. Using electrostatic Ewald calculations and known experimental structural data, we establish a connection between the material’s maximal Tc at optimal doping and the strength of coupling to c -axis modes. We demonstrate that materials with the largest coupling to the out-of-phase bond-buckling (B1g) oxygen phonon branch also have the largest Tc ’s. In light of this observation we present model Tc calculations using a two-well model where phonons work in conjunction with a dominant pairing interaction, presumably due to spin fluctuations, indicating how phonons can generate sizeable enhancements to Tc despite the relatively small coupling strengths. Combined, these results can provide a natural framework for understanding the doping and material dependence of Tc across the cuprates.

On-chip optical mode conversion based on dynamic grating in photonic-phononic hybrid waveguide

PubMed Central

Chen, Guodong; Zhang, Ruiwen; Sun, Junqiang

2015-01-01

We present a scheme for reversible and tunable on-chip optical mode conversion based on dynamic grating in a hybrid photonic-phononic waveguide. The dynamic grating is built up through the acousto-optic effect and the theoretical model of the optical mode conversion is developed by considering the geometrical deformation and refractive index change. Three kinds of mode conversions are able to be realized using the same hybrid waveguide structure in a large bandwidth by only changing the launched acoustic frequency. The complete mode conversion can be achieved by choosing a proper acoustic power under a given waveguide length. PMID:25996236

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

Soft Phonon Modes Leading to Ultralow Thermal Conductivity and High Thermoelectric Performance in AgCuTe.

PubMed

Roychowdhury, Subhajit; Jana, Manoj K; Pan, Jaysree; Guin, Satya N; Sanyal, Dirtha; Waghmare, Umesh V; Biswas, Kanishka

2018-04-03

Crystalline solids with intrinsically low lattice thermal conductivity (κ L ) are crucial to realizing high-performance thermoelectric (TE) materials. Herein, we show an ultralow κ L of 0.35 Wm -1  K -1 in AgCuTe, which has a remarkable TE figure-of-merit, zT of 1.6 at 670 K when alloyed with 10 mol % Se. First-principles DFT calculation reveals several soft phonon modes in its room-temperature hexagonal phase, which are also evident from low-temperature heat-capacity measurement. These phonon modes, dominated by Ag vibrations, soften further with temperature giving a dynamic cation disorder and driving the superionic transition. Intrinsic factors cause an ultralow κ L in the room-temperature hexagonal phase, while the dynamic disorder of Ag/Cu cations leads to reduced phonon frequencies and mean free paths in the high-temperature rocksalt phase. Despite the cation disorder at elevated temperatures, the crystalline conduits of the rigid anion sublattice give a high power factor. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Soft phonon modes driven huge difference on lattice thermal conductivity between topological semimetal WC and WN

NASA Astrophysics Data System (ADS)

Guo, San-Dong; Chen, Peng

2018-04-01

Topological semimetals are currently attracting increasing interest due to their potential applications in topological qubits and low-power electronics, which are closely related to their thermal transport properties. Recently, the triply degenerate nodal points near the Fermi level of WC are observed by using angle-resolved photoemission spectroscopy. In this work, by solving the Boltzmann transport equation based on first-principles calculations, we systematically investigate the phonon transport properties of topological semimetals WC and WN. The predicted room-temperature lattice thermal conductivities of WC (WN) along the a and c directions are 1140.64 (7.47) W m-1 K-1 and 1214.69 (5.39) W m-1 K-1. Considering the similar crystal structure of WC and WN, it is quite interesting to find that the thermal conductivity of WC is more than two orders of magnitude higher than that of WN. It is found that, different from WN, the large acoustic-optical (a-o) gap prohibits the acoustic+acoustic → optical (aao) scattering, which gives rise to very long phonon lifetimes, leading to ultrahigh lattice thermal conductivity in WC. For WN, the lack of an a-o gap is due to soft phonon modes in optical branches, which can provide more scattering channels for aao scattering, producing very short phonon lifetimes. Further deep insight can be attained from their different electronic structures. Distinctly different from that in WC, the density of states of WN at the Fermi level becomes very sharp, which leads to destabilization of WN, producing soft phonon modes. It is found that the small shear modulus G and C44 limit the stability of WN, compared with WC. Our studies provide valuable information for phonon transports in WC and WN, and motivate further experimental studies to study their lattice thermal conductivities.

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.

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.

Topological phononic insulator with robust pseudospin-dependent transport

NASA Astrophysics Data System (ADS)

Xia, Bai-Zhan; Liu, Ting-Ting; Huang, Guo-Liang; Dai, Hong-Qing; Jiao, Jun-Rui; Zang, Xian-Guo; Yu, De-Jie; Zheng, Sheng-Jie; Liu, Jian

2017-09-01

Topological phononic states, which facilitate unique acoustic transport around defects and disorders, have significantly revolutionized our scientific cognition of acoustic systems. Here, by introducing a zone folding mechanism, we realize the topological phase transition in a double Dirac cone of the rotatable triangular phononic crystal with C3 v symmetry. We then investigate the distinct topological edge states on two types of interfaces of our phononic insulators. The first one is a zigzag interface which simultaneously possesses a symmetric mode and an antisymmetric mode. Hybridization of the two modes leads to a robust pseudospin-dependent one-way propagation. The second one is a linear interface with a symmetric mode or an antisymmetric mode. The type of mode is dependent on the topological phase transition of the phononic insulators. Based on the rotatability of triangular phononic crystals, we consider several complicated contours defined by the topological zigzag interfaces. Along these contours, the acoustic waves can unimpededly transmit without backscattering. Our research develops a route for the exploration of the topological phenomena in experiments and provides an excellent framework for freely steering the acoustic backscattering-immune propagation within topological phononic structures.

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.

The hydrogen-bond network of water supports propagating optical phonon-like modes

DOE PAGES

Elton, Daniel C.; Fernández-Serra, Marivi

2016-01-04

The local structure of liquid water as a function of temperature is a source of intense research. This structure is intimately linked to the dynamics of water molecules, which can be measured using Raman and infrared spectroscopies. The assignment of spectral peaks depends on whether they are collective modes or single-molecule motions. Vibrational modes in liquids are usually considered to be associated to the motions of single molecules or small clusters. Using molecular dynamics simulations, here we find dispersive optical phonon-like modes in the librational and OH-stretching bands. We argue that on subpicosecond time scales these modes propagate through water’smore » hydrogen-bond network over distances of up to 2 nm. In the long wavelength limit these optical modes exhibit longitudinal–transverse splitting, indicating the presence of coherent long-range dipole–dipole interactions, as in ice. Lastly, our results indicate the dynamics of liquid water have more similarities to ice than previously thought.« less

The hydrogen-bond network of water supports propagating optical phonon-like modes.

PubMed

Elton, Daniel C; Fernández-Serra, Marivi

2016-01-04

The local structure of liquid water as a function of temperature is a source of intense research. This structure is intimately linked to the dynamics of water molecules, which can be measured using Raman and infrared spectroscopies. The assignment of spectral peaks depends on whether they are collective modes or single-molecule motions. Vibrational modes in liquids are usually considered to be associated to the motions of single molecules or small clusters. Using molecular dynamics simulations, here we find dispersive optical phonon-like modes in the librational and OH-stretching bands. We argue that on subpicosecond time scales these modes propagate through water's hydrogen-bond network over distances of up to 2 nm. In the long wavelength limit these optical modes exhibit longitudinal-transverse splitting, indicating the presence of coherent long-range dipole-dipole interactions, as in ice. Our results indicate the dynamics of liquid water have more similarities to ice than previously thought.

Phonon Mode Transformation Across the Orthohombic–Tetragonal Phase Transition in a Lead Iodide Perovskite CH 3 NH 3 PbI 3 : A Terahertz Time-Domain Spectroscopy Approach

DOE PAGES

La-o-vorakiat, Chan; Xia, Huanxin; Kadro, Jeannette; ...

2015-12-03

Here, we study the temperature-dependent phonon modes of the organometallic lead iodide perovskite CH 3NH 3PbI 3 thin film across the terahertz (0.5–3 THz) and temperature (20–300 K) ranges. These modes are related to the vibration of the Pb–I bonds. We found that two phonon modes in the tetragonal phase at room temperature split into four modes in the low-temperature orthorhombic phase. By use of the Lorentz model fitting, we also analyze the critical behavior of this phase transition. The carrier mobility values calculated from the low-temperature phonon mode frequencies, via two theoretical approaches, are found to agree reasonably withmore » the experimental value (~2000 cm 2 V –1 s –1) from a previous time-resolved THz spectroscopy work. Thus, we have established a possible link between terahertz phonon modes and the transport properties of perovskite-based solar cells.« less

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.

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.

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.

Band transition and topological interface modes in 1D elastic phononic crystals.

PubMed

Yin, Jianfei; Ruzzene, Massimo; Wen, Jihong; Yu, Dianlong; Cai, Li; Yue, Linfeng

2018-05-01

In this report, we design a one-dimensional elastic phononic crystal (PC) comprised of an Aluminum beam with periodically arranged cross-sections to study the inversion of bulk bands due to the change of topological phases. As the geometric parameters of the unit cell varies, the second bulk band closes and reopens forming a topological transition point. This phenomenon is confirmed for both longitudinal waves and bending waves. By constructing a structural system formed by two PCs with different topological phases, for the first time, we experimentally demonstrate the existence of interface mode within the bulk band gap as a result of topological transition for both longitudinal and bending modes in elastic systems, although for bending modes, additional conditions have to be met in order to have the interface mode due to the dispersive nature of the bending waves in uniform media compared to the longitudinal waves.

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

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

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.

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.

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.

Spin angular momentum induced by optical quasi-phonons activated in birefringent uniaxial crystals

NASA Astrophysics Data System (ADS)

Mohamadou, B.; Maïmounatou, B.; Erasmus, R. M.

2017-09-01

The present report formally establishes the expression of the angular momentum of the quasi-phonons induced by linearly polarized light. The transferred mechanical torque due to phonons is then determined from the spin angular momentum and is shown to be measurable from Raman scattering experiments. To investigate this, the electric field due the excited dipoles and the associated macroscopic dielectric polarization vectors were first calculated using a lattice dynamical model in order to derive in a second step the analytical expression of the angular momentum density arising from the inelastic light scattering by quasi-phonons. The numerical results of the calculated angle dependent mode electric fields and the induced spin angular moments as well as the transferred torques were analyzed with regard to some typical behaviors of the interacting modes and it is shown that the fluctuations of the effective charges is their main origin.

Angular dispersion of oblique phonon modes in BiFeO3 from micro-Raman scattering

NASA Astrophysics Data System (ADS)

Hlinka, J.; Pokorny, J.; Karimi, S.; Reaney, I. M.

2011-01-01

The angular dispersion of oblique phonon modes in a multiferroic BiFeO3 has been obtained from a micro-Raman spectroscopic investigation of a coarse grain ceramic sample. Continuity of the measured angular dispersion curves allows conclusive identification of all pure zone-center polar modes. The method employed here to reconstruct the anisotropic crystal property from a large set of independent local measurements on a macroscopically isotropic ceramic sample profits from the considerable dispersion of the oblique modes in ferroelectric perovskites and it can be in principle conveniently applied to any other optically uniaxial ferroelectric material.

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.

Evaluating the role of coherent delocalized phonon-like modes in DNA cyclization

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

Alexandrov, Ludmil B.; Rasmussen, Kim Ø.; Bishop, Alan R.

The innate flexibility of a DNA sequence is quantified by the Jacobson-Stockmayer’s J-factor, which measures the propensity for DNA loop formation. Recent studies of ultra-short DNA sequences revealed a discrepancy of up to six orders of magnitude between experimentally measured and theoretically predicted J-factors. These large differences suggest that, in addition to the elastic moduli of the double helix, other factors contribute to loop formation. We develop a new theoretical model that explores how coherent delocalized phonon-like modes in DNA provide single-stranded ”flexible hinges” to assist in loop formation. We also combine the Czapla-Swigon-Olson structural model of DNA with ourmore » extended Peyrard-Bishop-Dauxois model and, without changing any of the parameters of the two models, apply this new computational framework to 86 experimentally characterized DNA sequences. Our results demonstrate that the new computational framework can predict J-factors within an order of magnitude of experimental measurements for most ultra-short DNA sequences, while continuing to accurately describe the J-factors of longer sequences. Furthermore, we demonstrate that our computational framework can be used to describe the cyclization of DNA sequences that contain a base pair mismatch. Overall, our results support the conclusion that coherent delocalized phonon-like modes play an important role in DNA cyclization.« less

Evaluating the role of coherent delocalized phonon-like modes in DNA cyclization

DOE PAGES

Alexandrov, Ludmil B.; Rasmussen, Kim Ø.; Bishop, Alan R.; ...

2017-08-29

The innate flexibility of a DNA sequence is quantified by the Jacobson-Stockmayer’s J-factor, which measures the propensity for DNA loop formation. Recent studies of ultra-short DNA sequences revealed a discrepancy of up to six orders of magnitude between experimentally measured and theoretically predicted J-factors. These large differences suggest that, in addition to the elastic moduli of the double helix, other factors contribute to loop formation. We develop a new theoretical model that explores how coherent delocalized phonon-like modes in DNA provide single-stranded ”flexible hinges” to assist in loop formation. We also combine the Czapla-Swigon-Olson structural model of DNA with ourmore » extended Peyrard-Bishop-Dauxois model and, without changing any of the parameters of the two models, apply this new computational framework to 86 experimentally characterized DNA sequences. Our results demonstrate that the new computational framework can predict J-factors within an order of magnitude of experimental measurements for most ultra-short DNA sequences, while continuing to accurately describe the J-factors of longer sequences. Furthermore, we demonstrate that our computational framework can be used to describe the cyclization of DNA sequences that contain a base pair mismatch. Overall, our results support the conclusion that coherent delocalized phonon-like modes play an important role in DNA cyclization.« less

Effects of the electron-phonon coupling activation in collision cascades

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

Zarkadoula, Eva; Samolyuk, German; Weber, William J.

Using the two-temperature (2T-MD) model in molecular dynamics simulations, here we investigate the condition of switching the electronic stopping term off when the electron-phonon coupling is activated in the damage production due to 50 keV Ni ion cascades in Ni and equiatomic NiFe. Additionally we investigate the effect of the electron-phonon coupling activation time in the damage production. We find that the switching condition has negligible effect in the produced damage, while the choice of the activation time of the electron-phonon coupling can affect the amount of surviving damage.

Effects of the electron-phonon coupling activation in collision cascades

DOE PAGES

Zarkadoula, Eva; Samolyuk, German; Weber, William J.

2017-04-20

Using the two-temperature (2T-MD) model in molecular dynamics simulations, here we investigate the condition of switching the electronic stopping term off when the electron-phonon coupling is activated in the damage production due to 50 keV Ni ion cascades in Ni and equiatomic NiFe. Additionally we investigate the effect of the electron-phonon coupling activation time in the damage production. We find that the switching condition has negligible effect in the produced damage, while the choice of the activation time of the electron-phonon coupling can affect the amount of surviving damage.

Two-Color Pump-Probe Measurement of Photonic Quantum Correlations Mediated by a Single Phonon

NASA Astrophysics Data System (ADS)

Anderson, Mitchell D.; Tarrago Velez, Santiago; Seibold, Kilian; Flayac, Hugo; Savona, Vincenzo; Sangouard, Nicolas; Galland, Christophe

2018-06-01

We propose and demonstrate a versatile technique to measure the lifetime of the one-phonon Fock state using two-color pump-probe Raman scattering and spectrally resolved, time-correlated photon counting. Following pulsed laser excitation, the n =1 phonon Fock state is probabilistically prepared by projective measurement of a single Stokes photon. The detection of an anti-Stokes photon generated by a second, time-delayed laser pulse probes the phonon population with subpicosecond time resolution. We observe strongly nonclassical Stokes-anti-Stokes correlations, whose decay maps the single phonon dynamics. Our scheme can be applied to any Raman-active vibrational mode. It can be modified to measure the lifetime of n ≥1 Fock states or the phonon quantum coherences through the preparation and detection of two-mode entangled vibrational states.

Two-Color Pump-Probe Measurement of Photonic Quantum Correlations Mediated by a Single Phonon.

PubMed

Anderson, Mitchell D; Tarrago Velez, Santiago; Seibold, Kilian; Flayac, Hugo; Savona, Vincenzo; Sangouard, Nicolas; Galland, Christophe

2018-06-08

We propose and demonstrate a versatile technique to measure the lifetime of the one-phonon Fock state using two-color pump-probe Raman scattering and spectrally resolved, time-correlated photon counting. Following pulsed laser excitation, the n=1 phonon Fock state is probabilistically prepared by projective measurement of a single Stokes photon. The detection of an anti-Stokes photon generated by a second, time-delayed laser pulse probes the phonon population with subpicosecond time resolution. We observe strongly nonclassical Stokes-anti-Stokes correlations, whose decay maps the single phonon dynamics. Our scheme can be applied to any Raman-active vibrational mode. It can be modified to measure the lifetime of n≥1 Fock states or the phonon quantum coherences through the preparation and detection of two-mode entangled vibrational states.

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.

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.

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.

Optical phonon modes of III-V nanoparticles and indium phosphide/II-VI core-shell nanoparticles: A Raman and infrared study

NASA Astrophysics Data System (ADS)

Manciu, Felicia Speranta

The prospects for realizing efficient nanoparticle light emitters in the visible/near IR for communications and bio-medical applications have benefited from progress in chemical fabrication of nanoparticles. III-V semiconductor nanopaticles such as GaP and InP are promising materials for the development of "blue" and "green" emitters, respectively, due to their large effective bandgaps. Enhanced emission efficiency has been achieved for core-shell nanoparticles, since inorganic shell materials increase electronic tunability and may decrease surface defects that often occur for nanoparticles capped with organic molecules. Also, the emission wavelength of InP nanoparticle cores can be tuned from green to red by changing the shell material in InP/II-VI core-shell nanoparticles. Investigations of phonon modes in nanocrystals are of both fundamental and applied interest. In the former case the optical phonon modes, such as surface/interface modes, are dependent on the nanoparticle dimensions, and also can provide information about dynamical properties of the nanoparticles and test the validity of various theoretical approaches. In the latter case the vibronic properties of nanoparticle emitters are controlled by confined phonons and modifications of the electron-phonon interaction by the confinement. Thus, the objective of the present thesis is the detailed study of the phonon modes of III-V nanoparticles (GaP and InP) and InP/II-VI core-shell nanoparticles by IR absorption and Raman scattering spectroscopies, and an elucidation of their complex vibrational properties. With the exception of three samples (two GaP and one InP), all samples were synthesized by a novel colloidal chemistry method, which does not requires added surfactant, but rather treatment of the corresponding precursors in octadecene noncoordinative solvent. Sample quality was characterized by ED, TEM and X-ray diffraction. Based on a comparison with a dielectric continuum model, the observed features

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.

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.

Electron-Mediated Phonon-Phonon Coupling Drives the Vibrational Relaxation of CO on Cu(100)

NASA Astrophysics Data System (ADS)

Novko, D.; Alducin, M.; Juaristi, J. I.

2018-04-01

We bring forth a consistent theory for the electron-mediated vibrational intermode coupling that clarifies the microscopic mechanism behind the vibrational relaxation of adsorbates on metal surfaces. Our analysis points out the inability of state-of-the-art nonadiabatic theories to quantitatively reproduce the experimental linewidth of the CO internal stretch mode on Cu(100) and it emphasizes the crucial role of the electron-mediated phonon-phonon coupling in this regard. The results demonstrate a strong electron-mediated coupling between the internal stretch and low-energy CO modes, but also a significant role of surface motion. Our nonadiabatic theory is also able to explain the temperature dependence of the internal stretch phonon linewidth, thus far considered a sign of the direct anharmonic coupling.

Electric-dipole absorption resonating with longitudinal optical phonon-plasmon system and its effect on dispersion relations of interface phonon polariton modes in metal/semiconductor-stripe structures

NASA Astrophysics Data System (ADS)

Sakamoto, Hironori; Takeuchi, Eito; Yoshida, Kouki; Morita, Ken; Ma, Bei; Ishitani, Yoshihiro

2018-01-01

Interface phonon polaritons (IPhPs) in nano-structures excluding metal components are thoroughly investigated because they have lower loss in optical emission or absorption and higher quality factors than surface plasmon polaritons. In previous reports, it is found that strong infrared (IR) absorption is based on the interaction of p-polarized light and materials, and the resonance photon energy highly depends on the structure size and angle of incidence. We report the optical absorption by metal/semiconductor (bulk-GaAs and thin film-AlN)-stripe structures in THz to mid-IR region for the electric field of light perpendicular to the stripes, where both of s- and p-polarized light are absorbed. The absorption resonates with longitudinal optical (LO) phonon or LO phonon-plasmon coupling (LOPC) modes, and thus is independent of the angle of incidence or structure size. This absorption is attributed to the electric dipoles by the optically induced polarization charges at the metal/semiconductor, heterointerfaces, or interfaces of high electron density layers and depression ones. The electric permittivity is modified by the formation of these dipoles. It is found to be indispensable to utilize our form of altered permittivity to explain the experimental dispersion relations of metal/semiconductor-IPhP and SPhP in these samples. This analysis reveals that the IPhPs in the stripe structures of metal/AlN-film on a SiC substrate are highly confined in the AlN film, while the permittivity of the structures of metal/bulk-GaAs is partially affected by the electric-dipoles. The quality factors of the electric-dipole absorption are found to be 42-54 for undoped samples, and the value of 62 is obtained for Al/AlN-IPhP. It is thought that metal-contained structures are not obstacles to mode energy selectivity in phonon energy region of semiconductors.

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

Composition dependence of the in-plane Cu-O bond-stretching LO phonon mode in YBa2Cu3O6+x

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

Stercil, F.; Egami, T.; Mook Jr, Herbert A

An inelastic pulsed neutron scattering study was performed on the dependence of the dispersion and spectral intensity of the in-plane Cu-O bond-stretching LO phonon mode on doped charge density. The measurements were made in the time-of-flight mode with the multiangle position sensitive spectrometer of the ISIS facility on single crystals of YBa{sub 2}Cu{sub 3}O{sub 6+x} (x=0.15, 0.35, 0.6, 0.7, and 0.95). The focus of the study is the in-plane Cu-O bond-stretching LO phonon mode, which is known for strong electron-phonon coupling and unusual dependence on composition and temperature. It is shown that the dispersions for the samples with x=0.35, 0.6,more » and 0.7 are similar to the superposition of those for x=0.15 and 0.95 samples, and cannot be explained in terms of the structural anisotropy. It is suggested that the results are consistent with the model of nanoscale electronic phase separation, with the fraction of the phases being dependent on the doped charge density.« less

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.

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

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

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.

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

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.

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.

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

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

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.

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.

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.

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.

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.

Reshaping the phonon energy landscape of nanocrystals inside a terahertz plasmonic nanocavity.

PubMed

Jin, Xin; Cerea, Andrea; Messina, Gabriele C; Rovere, Andrea; Piccoli, Riccardo; De Donato, Francesco; Palazon, Francisco; Perucchi, Andrea; Di Pietro, Paola; Morandotti, Roberto; Lupi, Stefano; De Angelis, Francesco; Prato, Mirko; Toma, Andrea; Razzari, Luca

2018-02-22

Phonons (quanta of collective vibrations) are a major source of energy dissipation and drive some of the most relevant properties of materials. In nanotechnology, phonons severely affect light emission and charge transport of nanodevices. While the phonon response is conventionally considered an inherent property of a nanomaterial, here we show that the dipole-active phonon resonance of semiconducting (CdS) nanocrystals can be drastically reshaped inside a terahertz plasmonic nanocavity, via the phonon strong coupling with the cavity vacuum electric field. Such quantum zero-point field can indeed reach extreme values in a plasmonic nanocavity, thanks to a mode volume well below λ 3 /10 7 . Through Raman measurements, we find that the nanocrystals within a nanocavity exhibit two new "hybridized" phonon peaks, whose spectral separation increases with the number of nanocrystals. Our findings open exciting perspectives for engineering the optical phonon response of functional nanomaterials and for implementing a novel platform for nanoscale quantum optomechanics.

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.

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

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.

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.

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.

Observation of soft phonon mode in TbFe 3 ( BO 3 ) 4 by inelastic neutron scattering

DOE PAGES

Pavlovskiy, M. S.; Shaykhutdinov, Krill A.; Wu, L. S.; ...

2018-02-28

In this study, the phonon dispersion in terbium iron borate TbFe 3(BO 3) 4 has been measured by inelastic neutron scattering in a temperature range 180S=192.5 K and studied by ab initio calculations. Significant, but not complete, softening of the transverse acoustic (TA) branch has been observed at the corner of the Brillouin zone (Λ point) at temperatures T≳T S, in full agreement with theoretical calculations. Finally, the TA soft mode undergoes considerable broadening at the Λ point near the transition temperature that can be attributed to the anharmonic interference between transverse acoustic and optical modes.

Observation of soft phonon mode in TbFe 3 ( BO 3 ) 4 by inelastic neutron scattering

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

Pavlovskiy, M. S.; Shaykhutdinov, Krill A.; Wu, L. S.

In this study, the phonon dispersion in terbium iron borate TbFe 3(BO 3) 4 has been measured by inelastic neutron scattering in a temperature range 180S=192.5 K and studied by ab initio calculations. Significant, but not complete, softening of the transverse acoustic (TA) branch has been observed at the corner of the Brillouin zone (Λ point) at temperatures T≳T S, in full agreement with theoretical calculations. Finally, the TA soft mode undergoes considerable broadening at the Λ point near the transition temperature that can be attributed to the anharmonic interference between transverse acoustic and optical modes.

Nonlocal electron-phonon coupling in the pentacene crystal: Beyond the Γ-point approximation

NASA Astrophysics Data System (ADS)

Yi, Yuanping; Coropceanu, Veaceslav; Brédas, Jean-Luc

2012-10-01

There is currently increasing interest in understanding the impact of the nonlocal (Peierls-type) electron-phonon mechanism on charge transport in organic molecular semiconductors. Most estimates of the non-local coupling constants reported in the literature are based on the Γ-point phonon modes. Here, the influence of phonon modes spanning the entire Brillouin zone (phonon dispersion) on the nonlocal electron-phonon couplings is investigated for the pentacene crystal. The phonon modes are obtained by using a supercell approach. The results underline that the overall nonlocal couplings are substantially underestimated by calculations taking sole account of the phonons at the Γ point of the unit cell. The variance of the transfer integrals based on Γ-point normal-mode calculations at room temperature is underestimated in some cases by 40% for herringbone-type dimers and by over 80% for cofacial dimers. Our calculations show that the overall coupling is somewhat larger for holes than for electrons. The results also suggest that the interactions of charge carriers (both electrons and holes) with acoustic and optical phonons are comparable. Therefore, an adequate description of the charge-transport properties in pentacene and similar systems requires that these two electron-phonon coupling mechanisms be treated on the same footing.

Phonon-roton modes of liquid 4He beyond the roton in MCM-41

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

Azuah, Richard T; Omar Diallo, Souleymane; Adams, Mark A.

2013-01-01

We present neutron scattering measurements of the phonon-roton (P-R) mode of superfluid 4He confined in 47 A MCM-41 at T = 0.5 K at wave vectors, Q, beyond the roton wave vector (QR = 1.92 A-1). Measurements beyond the roton require access to high wave vectors (up to Q = 4 A-1) with excellent energy resolution and high statistical precision. The present results show for the first time that at T = 0.5 K the P-R mode in MCM-41 extends out to wave-vector Q 3.6 A-1 with the same energy and zero width (within precision) as observed in bulk superfluidmore » 4He. Layer modes in the roton region are also observed. Specifically, the P-R mode energy, !Q, increases with Q for Q > QR and reaches a plateau at a maximum energy !Q = 2 where is the roton energy, = 0.74 0.01 meV in MCM-41. This upper limit means the P-R mode decays to two rotons when its energy exceeds 2 . It also means that the P-R mode does not decay to two layers modes. If the P-R could decay to two layer modes, !Q would plateau at a lower energy, !Q = 2 L where L = 0.60 meV is the energy of the roton like minimum of the layer mode. The observation of the P-R mode with energy up to 2 shows that the P-R mode and the layer modes are independent modes with apparently little interaction between them.« less

First-principles prediction of phononic thermal conductivity of silicene: A comparison with graphene

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

Gu, Xiaokun; Yang, Ronggui, E-mail: Ronggui.Yang@Colorado.Edu

2015-01-14

There has been great interest in two-dimensional materials, beyond graphene, for both fundamental sciences and technological applications. Silicene, a silicon counterpart of graphene, has been shown to possess some better electronic properties than graphene. However, its thermal transport properties have not been fully studied. In this paper, we apply the first-principles-based phonon Boltzmann transport equation to investigate the thermal conductivity of silicene as well as the phonon scattering mechanisms. Although both graphene and silicene are two-dimensional crystals with similar crystal structure, we find that phonon transport in silicene is quite different from that in graphene. The thermal conductivity of silicenemore » shows a logarithmic increase with respect to the sample size due to the small scattering rates of acoustic in-plane phonon modes, while that of graphene is finite. Detailed analysis of phonon scattering channels shows that the linear dispersion of the acoustic out-of-plane (ZA) phonon modes, which is induced by the buckled structure, makes the long-wavelength longitudinal acoustic phonon modes in silicene not as efficiently scattered as that in graphene. Compared with graphene, where most of the heat is carried by the acoustic out-of-plane (ZA) phonon modes, the ZA phonon modes in silicene only have ∼10% contribution to the total thermal conductivity, which can also be attributed to the buckled structure. This systematic comparison of phonon transport and thermal conductivity of silicene and graphene using the first-principle-based calculations shed some light on other two-dimensional materials, such as two-dimensional transition metal dichalcogenides.« less

Classification of topological phonons in linear mechanical metamaterials

PubMed Central

Süsstrunk, Roman

2016-01-01

Topological phononic crystals, alike their electronic counterparts, are characterized by a bulk–edge correspondence where the interior of a material dictates the existence of stable surface or boundary modes. In the mechanical setup, such surface modes can be used for various applications such as wave guiding, vibration isolation, or the design of static properties such as stable floppy modes where parts of a system move freely. Here, we provide a classification scheme of topological phonons based on local symmetries. We import and adapt the classification of noninteracting electron systems and embed it into the mechanical setup. Moreover, we provide an extensive set of examples that illustrate our scheme and can be used to generate models in unexplored symmetry classes. Our work unifies the vast recent literature on topological phonons and paves the way to future applications of topological surface modes in mechanical metamaterials. PMID:27482105

Near-Field Infrared Pump-Probe Imaging of Surface Phonon Coupling in Boron Nitride Nanotubes.

PubMed

Gilburd, Leonid; Xu, Xiaoji G; Bando, Yoshio; Golberg, Dmitri; Walker, Gilbert C

2016-01-21

Surface phonon modes are lattice vibrational modes of a solid surface. Two common surface modes, called longitudinal and transverse optical modes, exhibit lattice vibration along or perpendicular to the direction of the wave. We report a two-color, infrared pump-infrared probe technique based on scattering type near-field optical microscopy (s-SNOM) to spatially resolve coupling between surface phonon modes. Spatially varying couplings between the longitudinal optical and surface phonon polariton modes of boron nitride nanotubes are observed, and a simple model is proposed.

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.

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.

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

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.

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.

Phonon Routing in Integrated Optomechanical Cavity-waveguide Systems

DTIC Science & Technology

2015-08-20

optomechanical crystal cavities connected by a dispersion-engineered phonon waveguide. Pulsed and continuous- wave measurements are first used to char- acterize...device layer of a silicon-on-insulator wafer (see App. A), and consists of several parts: an op- tomechanical cavity with co- localized optical and acous... localized cavity mode and the nearly- resonant phonon waveguide modes. The optical coupling waveg- uide is fabricated in the near-field of the nanobeam

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.

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.

Temperature induced phonon behaviour in germanium selenide thin films probed by Raman spectroscopy

NASA Astrophysics Data System (ADS)

Taube, A.; Łapińska, A.; Judek, J.; Wochtman, N.; Zdrojek, M.

2016-08-01

Here we report a detailed study of temperature-dependent phonon properties of exfoliated germanium selenide thin films (several tens of nanometers thick) probed by Raman spectroscopy in the 70-350 K temperature range. The temperature-dependent behavior of the positions and widths of the Raman modes was nonlinear. We concluded that the observed effects arise from anharmonic phonon-phonon interactions and are explained by the phenomenon of optical phonon decay into acoustic phonons. At temperatures above 200 K, the position of the Raman modes tended to be linearly dependent, and the first order temperature coefficients χ were  -0.0277, -0.0197 and  -0.031 cm-1 K-1 for B 3g , A g(1) and A g(2) modes, respectively.

Phonon Lifetime Observation in Epitaxial ScN Film with Inelastic X-Ray Scattering Spectroscopy.

PubMed

Uchiyama, H; Oshima, Y; Patterson, R; Iwamoto, S; Shiomi, J; Shimamura, K

2018-06-08

Phonon-phonon scattering dominates the thermal properties in nonmetallic materials, and it directly influences device performance in applications. The understanding of the scattering has been progressing using computational approaches, and the direct and systematic observation of phonon modes that include momentum dependences is desirable. We report experimental data on the phonon dispersion curves and lifetimes in an epitaxially grown ScN film using inelastic x-ray scattering measurements. The momentum dependence of the optical phonon lifetimes is estimated from the spectral width, and the highest-energy phonon mode around the zone center is found to possess a short lifetime of 0.21 ps. A comparison with first-principles calculations shows that our observed phonon lifetimes are quantitatively explained by three-body phonon-phonon interactions.

Phonon Lifetime Observation in Epitaxial ScN Film with Inelastic X-Ray Scattering Spectroscopy

NASA Astrophysics Data System (ADS)

Uchiyama, H.; Oshima, Y.; Patterson, R.; Iwamoto, S.; Shiomi, J.; Shimamura, K.

2018-06-01

Phonon-phonon scattering dominates the thermal properties in nonmetallic materials, and it directly influences device performance in applications. The understanding of the scattering has been progressing using computational approaches, and the direct and systematic observation of phonon modes that include momentum dependences is desirable. We report experimental data on the phonon dispersion curves and lifetimes in an epitaxially grown ScN film using inelastic x-ray scattering measurements. The momentum dependence of the optical phonon lifetimes is estimated from the spectral width, and the highest-energy phonon mode around the zone center is found to possess a short lifetime of 0.21 ps. A comparison with first-principles calculations shows that our observed phonon lifetimes are quantitatively explained by three-body phonon-phonon interactions.

Enhanced light scattering of the forbidden longitudinal optical phonon mode studied by micro-Raman spectroscopy on single InN nanowires.

PubMed

Schäfer-Nolte, E O; Stoica, T; Gotschke, T; Limbach, F A; Sutter, E; Sutter, P; Grützmacher, D; Calarco, R

2010-08-06

In the literature, there are controversies on the interpretation of the appearance in InN Raman spectra of a strong scattering peak in the energy region of the unscreened longitudinal optical (LO) phonons, although a shift caused by the phonon-plasmon interaction is expected for the high conductance observed in this material. Most measurements on light scattering are performed on ensembles of InN nanowires (NWs). However, it is important to investigate the behavior of individual nanowires and here we report on micro-Raman measurements on single nanowires. When changing the polarization direction of the incident light from parallel to perpendicular to the wire, the expected reduction of the Raman scattering was observed for transversal optical (TO) and E(2) phonon scattering modes, while a strong symmetry-forbidden LO mode was observed independently on the laser polarization direction. Single Mg- and Si-doped crystalline InN nanowires were also investigated. Magnesium doping results in a sharpening of the Raman peaks, while silicon doping leads to an asymmetric broadening of the LO peak. The results can be explained based on the influence of the high electron concentration with a strong contribution of the surface accumulation layer and the associated internal electric field.

Photon-phonon-enhanced infrared rectification in a two-dimensional nanoantenna-coupled tunnel diode

DOE PAGES

Kadlec, Emil A.; Jarecki, Robert L.; Starbuck, Andrew; ...

2016-12-28

The interplay of strong infrared photon-phonon coupling with electromagnetic confinement in nanoscale devices is demonstrated to have a large impact on ultrafast photon-assisted tunneling in metal-oxide-semiconductor (MOS) structures. Infrared active optical phonon modes in polar oxides lead to strong dispersion and enhanced electric fields at material interfaces. We find that the infrared dispersion of SiO 2 near a longitudinal optical phonon mode can effectively impedance match a photonic surface mode into a nanoscale tunnel gap that results in large transverse-field confinement. An integrated 2D nanoantenna structure on a distributed large-area MOS tunnel-diode rectifier is designed and built to resonantly excitemore » infrared surface modes and is shown to efficiently channel infrared radiation into nanometer-scale gaps in these MOS devices. This enhanced-gap transverse-electric field is converted to a rectified tunneling displacement current resulting in a dc photocurrent. We examine the angular and polarization-dependent spectral photocurrent response of these 2D nanoantenna-coupled tunnel diodes in the photon-enhanced tunneling spectral region. Lastly, our 2D nanoantenna-coupled infrared tunnel-diode rectifier promises to impact large-area thermal energy harvesting and infrared direct detectors.« less

Photon-phonon-enhanced infrared rectification in a two-dimensional nanoantenna-coupled tunnel diode

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

Kadlec, Emil A.; Jarecki, Robert L.; Starbuck, Andrew

The interplay of strong infrared photon-phonon coupling with electromagnetic confinement in nanoscale devices is demonstrated to have a large impact on ultrafast photon-assisted tunneling in metal-oxide-semiconductor (MOS) structures. Infrared active optical phonon modes in polar oxides lead to strong dispersion and enhanced electric fields at material interfaces. We find that the infrared dispersion of SiO 2 near a longitudinal optical phonon mode can effectively impedance match a photonic surface mode into a nanoscale tunnel gap that results in large transverse-field confinement. An integrated 2D nanoantenna structure on a distributed large-area MOS tunnel-diode rectifier is designed and built to resonantly excitemore » infrared surface modes and is shown to efficiently channel infrared radiation into nanometer-scale gaps in these MOS devices. This enhanced-gap transverse-electric field is converted to a rectified tunneling displacement current resulting in a dc photocurrent. We examine the angular and polarization-dependent spectral photocurrent response of these 2D nanoantenna-coupled tunnel diodes in the photon-enhanced tunneling spectral region. Lastly, our 2D nanoantenna-coupled infrared tunnel-diode rectifier promises to impact large-area thermal energy harvesting and infrared direct detectors.« less

Phonon Mode Transformation across the Orthohombic-Tetragonal Phase Transition in a Lead-Iodide Perovskite CH3NH3PbI3: a Terahertz Time-Domain Spectroscopy Approach

NASA Astrophysics Data System (ADS)

Chia, Elbert E. M.; La-O-Vorakiat, Chan; Kadro, Jeannette; Salim, Teddy; Zhao, Daming; Ahmed, Towfiq; Lam, Yeng Ming; Zhu, Jian-Xin; Marcus, Rudolph; Michel-Beyerle, Maria-Elisabeth

Using terahertz time-domain spectroscopy (THz-TDS), we study the temperature-dependent phonon modes of the organometallic lead iodide perovskite CH3NH3PbI3 thin film across the terahertz (0.5-3 THz) and temperature (20-300 K) ranges. These modes are related to the vibration of the Pb-I bonds. We found that two phonon modes in the tetragonal phase at room temperature split into four modes in the low-temperature orthorhombic phase. By use of the Lorentz model fitting, we analyze the critical behavior of this phase transition. King Mongkut's University of Technology Thonburi (Grant No. SCI58-003), Singapore MOE Tier 1 (RG13/12, RG123/14), ONR, ARO, NTU Biophysics Center, LANL LDRD, LANL CINT.

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.

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.

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.

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.

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.

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.

Optimization and experimental validation of stiff porous phononic plates for widest complete bandgap of mixed fundamental guided wave modes

NASA Astrophysics Data System (ADS)

Hedayatrasa, Saeid; Kersemans, Mathias; Abhary, Kazem; Uddin, Mohammad; Van Paepegem, Wim

2018-01-01

Phononic crystal plates (PhPs) have promising application in manipulation of guided waves for design of low-loss acoustic devices and built-in acoustic metamaterial lenses in plate structures. The prominent feature of phononic crystals is the existence of frequency bandgaps over which the waves are stopped, or are resonated and guided within appropriate defects. Therefore, maximized bandgaps of PhPs are desirable to enhance their phononic controllability. Porous PhPs produced through perforation of a uniform background plate, in which the porous interfaces act as strong reflectors of wave energy, are relatively easy to produce. However, the research in optimization of porous PhPs and experimental validation of achieved topologies has been very limited and particularly focused on bandgaps of flexural (asymmetric) wave modes. In this paper, porous PhPs are optimized through an efficient multiobjective genetic algorithm for widest complete bandgap of mixed fundamental guided wave modes (symmetric and asymmetric) and maximized stiffness. The Pareto front of optimization is analyzed and variation of bandgap efficiency with respect to stiffness is presented for various optimized topologies. Selected optimized topologies from the stiff and compliant regimes of Pareto front are manufactured by water-jetting an aluminum plate and their promising bandgap efficiency is experimentally observed. An optimized Pareto topology is also chosen and manufactured by laser cutting a Plexiglas (PMMA) plate, and its performance in self-collimation and focusing of guided waves is verified as compared to calculated dispersion properties.

Electron-phonon interactions in semiconductor nanostructures

NASA Astrophysics Data System (ADS)

Yu, Segi

deformation-potential of confined acoustic phonons is derived by quantizing the appropriate, experimentally verified approximate compressional acoustic-phonon modes in a free-standing rectangular quantum wire. The scattering rate is obtained for GaAs quantum wires with a range of cross-sectional dimensions. The results demonstrate that a proper treatment of confined acoustic phonons may be essential to correctly model electron scattering rates at low energies in nanoscale structures.

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.

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

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.

Interband Transitions, IR-Active Phonons, and Plasma Vibrations of Some Metal Hexaborides

NASA Astrophysics Data System (ADS)

Werheit, H.; Au, T.; Schmechel, R.; Paderno, Yu. B.; Konovalova, E. S.

2000-10-01

The high IR reflectivity of monocrystalline metallic metal hexaborides is superimposed by weak phonon spectra. The symmetry selection rules are lifted, probably because of structural defects. From the plasmon-phonon polariton frequencies in metallic LaB6 compared with those in semiconducting EuB6 and YbB6, the softening and the hardening of specific F1u modes by the free carriers are determined. From the plasma edges of EuB6 and YbB6, some parameters of the electronic transport are derived. The electron concentration increases proportional to the C content, whose donor properties are found to be comparable to those of hydrogen-like impurities. The existence of energy gaps in EuB6 and YbB6 proves that these compounds are semiconductors.

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.

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

Active tuning of surface phonon polariton resonances via carrier photoinjection

NASA Astrophysics Data System (ADS)

Dunkelberger, Adam D.; Ellis, Chase T.; Ratchford, Daniel C.; Giles, Alexander J.; Kim, Mijin; Kim, Chul Soo; Spann, Bryan T.; Vurgaftman, Igor; Tischler, Joseph G.; Long, James P.; Glembocki, Orest J.; Owrutsky, Jeffrey C.; Caldwell, Joshua D.

2018-01-01

Surface phonon polaritons (SPhPs) are attractive alternatives to infrared plasmonics for subdiffractional confinement of infrared light. Localized SPhP resonances in semiconductor nanoresonators are narrow, but that linewidth and the limited extent of the Reststrahlen band limit spectral coverage. To address this limitation, we report active tuning of SPhP resonances in InP and 4H-SiC by photoinjecting free carriers into nanoresonators, taking advantage of the coupling between the carrier plasma and optic phonons to blueshift SPhP resonances. We demonstrate state-of-the-art tuning figures of merit upon continuous-wave excitation (in InP) or pulsed excitation (in 4H-SiC). Lifetime effects cause the tuning to saturate in InP, and carrier redistribution leads to rapid (<50 ps) recovery of the resonance in 4H-SiC. This work demonstrates the potential for this method and opens a path towards actively tuned nanophotonic devices, such as modulators and beacons, in the infrared, and identifies important implications of coupling between electronic and phononic excitations.

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.

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

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

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.

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.

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.

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.

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.

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.

Vibrational Surface Electron-Energy-Loss Spectroscopy Probes Confined Surface-Phonon Modes

NASA Astrophysics Data System (ADS)

Lourenço-Martins, Hugo; Kociak, Mathieu

2017-10-01

Recently, two reports [Krivanek et al. Nature (London) 514, 209 (2014), 10.1038/nature13870, Lagos et al. Nature (London) 543, 529 (2017), 10.1038/nature21699] have demonstrated the amazing possibility to probe vibrational excitations from nanoparticles with a spatial resolution much smaller than the corresponding free-space phonon wavelength using electron-energy-loss spectroscopy (EELS). While Lagos et al. evidenced a strong spatial and spectral modulation of the EELS signal over a nanoparticle, Krivanek et al. did not. Here, we show that discrepancies among different EELS experiments as well as their relation to optical near- and far-field optical experiments [Dai et al. Science 343, 1125 (2014), 10.1126/science.1246833] can be understood by introducing the concept of confined bright and dark surface phonon modes, whose density of states is probed by EELS. Such a concise formalism is the vibrational counterpart of the broadly used formalism for localized surface plasmons [Ouyang and Isaacson Philos. Mag. B 60, 481 (1989), 10.1080/13642818908205921, García de Abajo and Aizpurua Phys. Rev. B 56, 15873 (1997), 10.1103/PhysRevB.56.15873, García de Abajo and Kociak Phys. Rev. Lett. 100, 106804 (2008), 10.1103/PhysRevLett.100.106804, Boudarham and Kociak Phys. Rev. B 85, 245447 (2012), 10.1103/PhysRevB.85.245447]; it makes it straightforward to predict or interpret phenomena already known for localized surface plasmons such as environment-related energy shifts or the possibility of 3D mapping of the related surface charge densities [Collins et al. ACS Photonics 2, 1628 (2015), 10.1021/acsphotonics.5b00421].

Magnetic ground state and magnon-phonon interaction in multiferroic h -YMnO3

NASA Astrophysics Data System (ADS)

Holm, S. L.; Kreisel, A.; Schäffer, T. K.; Bakke, A.; Bertelsen, M.; Hansen, U. B.; Retuerto, M.; Larsen, J.; Prabhakaran, D.; Deen, P. P.; Yamani, Z.; Birk, J. O.; Stuhr, U.; Niedermayer, Ch.; Fennell, A. L.; Andersen, B. M.; Lefmann, K.

2018-04-01

Inelastic neutron scattering has been used to study the magnetoelastic excitations in the multiferroic manganite hexagonal YMnO3. An avoided crossing is found between magnon and phonon modes close to the Brillouin zone boundary in the (a ,b ) plane. Neutron polarization analysis reveals that this mode has mixed magnon-phonon character. An external magnetic field along the c axis is observed to cause a linear field-induced splitting of one of the spin-wave branches. A theoretical description is performed, using a Heisenberg model of localized spins, acoustic phonon modes, and a magnetoelastic coupling via the single-ion magnetostriction. The model quantitatively reproduces the dispersion and intensities of all modes in the full Brillouin zone, describes the observed magnon-phonon hybridized modes, and quantifies the magnetoelastic coupling. The combined information, including the field-induced magnon splitting, allows us to exclude several of the earlier proposed models and point to the correct magnetic ground state symmetry, and provides an effective dynamic model relevant for the multiferroic hexagonal manganites.

Giant phonon anomaly associated with superconducting fluctuations in the pseudogap phase of cuprates

DOE PAGES

Liu, Ye-Hua; Konik, Robert M.; Rice, T. M.; ...

2016-01-20

The pseudogap in underdoped cuprates leads to significant changes in the electronic structure, and was later found to be accompanied by anomalous fluctuations of superconductivity and certain lattice phonons. Here we propose that the Fermi surface breakup due to the pseudogap, leads to a breakup of the pairing order into two weakly coupled sub-band amplitudes, and a concomitant low energy Leggett mode due to phase fluctuations between them. This increases the temperature range of superconducting fluctuations containing an overdamped Leggett mode. In this range inter-sub-band phonons show strong damping due to resonant scattering into an intermediate state with a pairmore » of overdamped Leggett modes. In the ordered state, the Leggett mode develops a finite energy, changing the anomalous phonon damping into an anomaly in the dispersion. Finally, this proposal explains the intrinsic connection between the anomalous pseudogap phase, enhanced superconducting fluctuations and giant anomalies in the phonon spectra.« less

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

Phonon-assisted nonlinear optical processes in ultrashort-pulse pumped optical parametric amplifiers

NASA Astrophysics Data System (ADS)

Isaienko, Oleksandr; Robel, István

2016-03-01

Optically active phonon modes in ferroelectrics such as potassium titanyl phosphate (KTP) and potassium titanyl arsenate (KTA) in the ~7-20 THz range play an important role in applications of these materials in Raman lasing and terahertz wave generation. Previous studies with picosecond pulse excitation demonstrated that the interaction of pump pulses with phonons can lead to efficient stimulated Raman scattering (SRS) accompanying optical parametric oscillation or amplification processes (OPO/OPA), and to efficient polariton-phonon scattering. In this work, we investigate the behavior of infrared OPAs employing KTP or KTA crystals when pumped with ~800-nm ultrashort pulses of duration comparable to the oscillation period of the optical phonons. We demonstrate that under conditions of coherent impulsive Raman excitation of the phonons, when the effective χ(2) nonlinearity cannot be considered instantaneous, the parametrically amplified waves (most notably, signal) undergo significant spectral modulations leading to an overall redshift of the OPA output. The pump intensity dependence of the redshifted OPA output, the temporal evolution of the parametric gain, as well as the pump spectral modulations suggest the presence of coupling between the nonlinear optical polarizations PNL of the impulsively excited phonons and those of parametrically amplified waves.

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.

The Importance of Phonons with Negative Phase Quotient in Disordered Solids.

PubMed

Seyf, Hamid Reza; Lv, Wei; Rohskopf, Andrew; Henry, Asegun

2018-02-08

Current understanding of phonons is based on the phonon gas model (PGM), which is best rationalized for crystalline materials. However, most of the phonons/modes in disordered materials have a different character and thus may contribute to heat conduction in a fundamentally different way than is described by PGM. For the modes in crystals, which have sinusoidal character, one can separate the modes into two primary categories, namely acoustic and optical modes. However, for the modes in disordered materials, such designations may no longer rigorously apply. Nonetheless, the phase quotient (PQ) is a quantity that can be used to evaluate whether a mode more so shares a distinguishing property of acoustic vibrations manifested as a positive PQ, or a distinguishing property of an optical vibrations manifested as negative PQ. In thinking about this characteristic, there is essentially no intuition regarding the role of positive vs. negative PQ vibrational modes in disordered solids. Given this gap in understanding, herein we studied the respective contributions to thermal conductivity for several disordered solids as a function of PQ. The analysis sheds light on the importance of optical like/negative PQ modes in structurally/compositionally disordered solids, whereas in crystalline materials, the contributions of optical modes are usually small.

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

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.

Nonequilibrium dynamics of the phonon gas in ultrafast-excited antimony

NASA Astrophysics Data System (ADS)

Krylow, Sergej; Zijlstra, Eeuwe S.; Kabeer, Fairoja Cheenicode; Zier, Tobias; Bauerhenne, Bernd; Garcia, Martin E.

2017-12-01

The ultrafast relaxation dynamics of a nonequilibrium phonon gas towards thermal equilibrium involves many-body collisions that cannot be properly described by perturbative approaches. Here, we develop a nonperturbative method to elucidate the microscopic mechanisms underlying the decay of laser-excited coherent phonons in the presence of electron-hole pairs, which so far are not fully understood. Our theory relies on ab initio molecular dynamics simulations on laser-excited potential-energy surfaces. Those simulations are compared with runs in which the laser-excited coherent phonon is artificially deoccupied. We apply this method to antimony and show that the decay of the A1 g phonon mode at low laser fluences can be accounted mainly to three-body down-conversion processes of an A1 g phonon into acoustic phonons. For higher excitation strengths, however, we see a crossover to a four-phonon process, in which two A1 g phonons decay into two optical phonons.

Phonons and superconductivity in fcc and dhcp lanthanum

NASA Astrophysics Data System (ADS)

Baǧcı, S.; Tütüncü, H. M.; Duman, S.; Srivastava, G. P.

2010-04-01

We have investigated the structural and electronic properties of lanthanum in the face-centered-cubic (fcc) and double hexagonal-close-packed (dhcp) phases using a generalized gradient approximation of the density functional theory and the ab initio pseudopotential method. It is found that double hexagonal-close-packed is the more stable phase for lanthanum. Differences in the density of states at the Fermi level between these two phases are pointed out and discussed in detail. Using the calculated lattice constant and electronic band structure for both phases, a linear response approach based on the density functional theory has been applied to study phonon modes, polarization characteristics of phonon modes, and electron-phonon interaction. Our phonon results show a softening behavior of the transverse acoustic branch along the Γ-L direction and the Γ-M direction for face-centered-cubic and double hexagonal-close-packed phases, respectively. Thus, the transverse-phonon linewidth shows a maximum at the zone boundary M(L) for the double hexagonal-close-packed phase (face-centered-cubic phase), where the transverse-phonon branch exhibits a dip. The electron-phonon coupling parameter λ is found to be 0.97 (1.06) for the double hexagonal-close-packed phase (face-centered-cubic phase), and the superconducting critical temperature is estimated to be 4.87 (dhcp) and 5.88 K (fcc), in good agreement with experimental values of around 5.0 (dhcp) and 6.0 K (fcc). A few superconducting parameters for the double hexagonal-close-packed phase have been calculated and compared with available theoretical and experimental results. Furthermore, the calculated superconducting parameters for both phases are compared between each other in detail.

Selective phonon damping in topological semimetals

NASA Astrophysics Data System (ADS)

Gordon, Jacob S.; Kee, Hae-Young

2018-05-01

Topological semimetals are characterized by their intriguing Fermi surfaces (FSs) such as Weyl and Dirac points, or nodal FS, and their associated surface states. Among them, topological crystalline semimetals, in the presence of strong spin-orbit coupling, possess a nodal FS protected by nonsymmorphic lattice symmetries. In particular, it was theoretically proposed that SrIrO3 exhibits a bulk nodal ring due to glide symmetries, as well as flat two-dimensional surface states related to chiral and mirror symmetries. However, due to the semimetallic nature of the bulk, direct observation of these surface states is difficult. Here we study the effect of flat-surface states on phonon modes for SrIrO3 side surfaces. We show that mirror odd optical surface phonon modes are damped at the zone center, as a result of coupling to the surface states with different mirror parities, while even modes are unaffected. This observation could be used to infer their existence, and experimental techniques for such measurements are also discussed.

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

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

Intrinsic phonon properties of double-walled carbon nanotubes

NASA Astrophysics Data System (ADS)

Tran, H. N.; Levshov, D. I.; Nguyen, V. C.; Paillet, M.; Arenal, R.; Than, X. T.; Zahab, A. A.; Yuzyuk, Y. I.; Phan, N. M.; Sauvajol, J.-L.; Michel, T.

2017-03-01

Double-walled carbon nanotubes (DWNT) are made of two concentric and weakly van der Waals coupled single-walled carbon nanotubes (SWNT). DWNTs are the simplest systems for studying the mechanical and electronic interactions between concentric carbon layers. In this paper we review recent results concerning the intrinsic features of phonons of DWNTs obtained from Raman experiments performed on index-identified DWNTs. The effect of the interlayer distance on the strength of the mechanical and electronic coupling between the layers, and thus on the frequencies of the Raman-active modes, namely the radial breathing-like modes (RBLMs) and G-modes, are evidenced and discussed. Invited talk at 8th International Workshop on Advanced Materials Science and Nanotechnology (IWAMSN2016), 8-12 November 2016, Ha Long City, Vietnam.

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).

Experimental metrology to obtain thermal phonon transmission coefficients at solid interfaces

NASA Astrophysics Data System (ADS)

Hua, Chengyun; Chen, Xiangwen; Ravichandran, Navaneetha K.; Minnich, Austin J.

2017-05-01

Interfaces play an essential role in phonon-mediated heat conduction in solids, impacting applications ranging from thermoelectric waste heat recovery to heat dissipation in electronics. From the microscopic perspective, interfacial phonon transport is described by transmission coefficients that link vibrational modes in the materials composing the interface. However, direct experimental determination of these coefficients is challenging because most experiments provide a mode-averaged interface conductance that obscures the microscopic detail. Here, we report a metrology to extract thermal phonon transmission coefficients at solid interfaces using ab initio phonon transport modeling and a thermal characterization technique, time-domain thermoreflectance. In combination with transmission electron microscopy characterization of the interface, our approach allows us to link the atomic structure of an interface to the spectral content of the heat crossing it. Our work provides a useful perspective on the microscopic processes governing interfacial heat conduction.

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.

Phonon-assisted nonlinear optical processes in ultrashort-pulse pumped optical parametric amplifiers

DOE PAGES

Isaienko, Oleksandr; Robel, Istvan

2016-03-15

Optically active phonon modes in ferroelectrics such as potassium titanyl phosphate (KTP) and potassium titanyl arsenate (KTA) in the ~7–20 THz range play an important role in applications of these materials in Raman lasing and terahertz wave generation. Previous studies with picosecond pulse excitation demonstrated that the interaction of pump pulses with phonons can lead to efficient stimulated Raman scattering (SRS) accompanying optical parametric oscillation or amplification processes (OPO/OPA), and to efficient polariton-phonon scattering. In this work, we investigate the behavior of infrared OPAs employing KTP or KTA crystals when pumped with ~800-nm ultrashort pulses of duration comparable to themore » oscillation period of the optical phonons. We demonstrate that under conditions of coherent impulsive Raman excitation of the phonons, when the effective χ (2) nonlinearity cannot be considered instantaneous, the parametrically amplified waves (most notably, signal) undergo significant spectral modulations leading to an overall redshift of the OPA output. Furthermore, the pump intensity dependence of the redshifted OPA output, the temporal evolution of the parametric gain, as well as the pump spectral modulations suggest the presence of coupling between the nonlinear optical polarizations P NL of the impulsively excited phonons and those of parametrically amplified waves.« less

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.

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

Photons, phonons, and plasmons with orbital angular momentum in plasmas

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

Chen, Qiang; Qin, Hong; Liu, Jian

Exact eigen modes with orbital angular momentum (OAM) in the complex media of unmagnetized homogeneous plasmas are studied. Three exact eigen modes with OAM are derived, i.e., photons, phonons, and plasmons. The OAM of different plasma components are closely related to the charge polarities. For photons, the OAM of electrons and ions are of the same magnitude but opposite direction, and the total OAM is carried by the field. For the phonons and plasmons, their OAM are carried by the electrons and ions. Lastly, the OAM modes in plasmas and their characteristics can be explored for potential applications in plasmamore » physics and accelerator physics.« less

Photons, phonons, and plasmons with orbital angular momentum in plasmas

DOE PAGES

Chen, Qiang; Qin, Hong; Liu, Jian

2017-02-06

Exact eigen modes with orbital angular momentum (OAM) in the complex media of unmagnetized homogeneous plasmas are studied. Three exact eigen modes with OAM are derived, i.e., photons, phonons, and plasmons. The OAM of different plasma components are closely related to the charge polarities. For photons, the OAM of electrons and ions are of the same magnitude but opposite direction, and the total OAM is carried by the field. For the phonons and plasmons, their OAM are carried by the electrons and ions. Lastly, the OAM modes in plasmas and their characteristics can be explored for potential applications in plasmamore » physics and accelerator physics.« less

Phonon Dispersion in Chiral Single-Wall Carbon Nanotubes

NASA Astrophysics Data System (ADS)

Mu, Weihua; Vamivakas, Anthony Nickolas; Fang, Yan; Wang, Bolin

The method to obtain phonon dispersion of achiral single-wall carbon nanotubes (SWNTs) from 6×6 matrix proposed by Mahan and Jeon7 has been extended to chiral SWNTs. The number of calculated phonon modes of a chiral SWNT (10, 1) is much larger than that of a zigzag one (10, 0) because the number of atoms in the translational unit cell of chiral SWNT is larger than that of an achiral one even though they have relative similar radius. The possible application of our approach to other models with more phonon potential terms beyond Mahan and Jeon's model is discussed.

Phonons around a soliton in a continuum model of t-(CH)x

NASA Astrophysics Data System (ADS)

Ono, Y.; Terai, A.; Wada, Y.

1986-05-01

The eigenvalue problem for phonons around a soliton in a continuum model of trans-polyacetylene t-(CH)x, the so-called TLM model (Takayama et al, 1980), is reinvestigated using a kernel which satisfies the correct boundary condition. The three localized modes are reproduced, two with even parity and one with odd parity. The phase-shift analysis of the extended modes confirms their existence if the one-dimensional version of Levinson's theorem is applicable to the present problem. It is found that the phase shifts of even and odd modes differ from each other in the long-wavelength limit. The conclusion of Ito et al. (1984), that the scattering of phonons by the soliton is reflectionless, has to be modified in this limit, where phonons suffer reflection from the soliton.

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

Femtosecond buildup of phonon-plasmon coupling in photoexcited InP observed by ultrabroadband THz probing

NASA Astrophysics Data System (ADS)

Huber, Rupert; Kübler, Carl; Tübel, Stefan; Leitenstorfer, Alfred

2006-02-01

We study the ultrafast transition of a pure longitudinal optical phonon resonance to a coupled phonon-plasmon system. Following 10-fs photoexcitation of intrinsic indium phosphide, ultrabroadband THz opto-electronics monitors the buildup of coherent beats of the emerging hybrid modes directly in the time domain with sub-cycle resolution. Mutual repulsion and redistribution of the oscillator strength of the interacting phonons and plasmons are seen to emerge on a delayed femtosecond time scale. Both branches of the mixed modes are monitored for various excitation densities N. We observe a pronounced anticrossing of the coupled resonances as a function of N. The characteristic formation time for phonon-plasmon coupling exhibits density dependence. The time is approximately set by one oscillation cycle of the upper branch of the mixed modes.

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.

Experimental metrology to obtain thermal phonon transmission coefficients at solid interfaces

DOE PAGES

Hua, Chengyun; Chen, Xiangwen; Ravichandran, Navaneetha K.; ...

2017-05-17

Interfaces play an essential role in phonon-mediated heat conduction in solids, impacting applications ranging from thermoelectric waste heat recovery to heat dissipation in electronics. From the microscopic perspective, interfacial phonon transport is described by transmission coefficients that link vibrational modes in the materials composing the interface. But, direct experimental determination of these coefficients is challenging because most experiments provide a mode-averaged interface conductance that obscures the microscopic detail. Here, we report a metrology to extract thermal phonon transmission coefficients at solid interfaces using ab initio phonon transport modeling and a thermal characterization technique, time-domain thermoreflectance. In combination with transmission electronmore » microscopy characterization of the interface, our approach allows us to link the atomic structure of an interface to the spectral content of the heat crossing it. This work provides a useful perspective on the microscopic processes governing interfacial heat conduction.« less

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.

Neutron inelastic scattering measurements of low-energy phonons in the multiferroic BiFeO 3

DOE PAGES

Schneeloch, John A.; Xu, Zhijun; Wen, Jinsheng; ...

2015-02-10

In this study, we present neutron inelastic scattering measurements of the low-energy phonons in single crystal BiFeO 3. The dispersions of the three acoustic phonon modes (LA along [100], TA 1 along [010], and TA 2 along [110]) and two low-energy optic phonon modes (LO and TO 1) have been mapped out between 300 and 700 K. Elastic constants are extracted from the phonon measurements. The energy linewidths of both TA phonons at the zone boundary clearly broaden when the system is warmed toward the magnetic ordering temperature T N=640 K. In conclusion, this suggests that the magnetic order andmore » low-energy lattice dynamics in this multiferroic material are coupled.« less

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.

Electron-phonon interaction in three-barrier nanosystems as active elements of quantum cascade detectors

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

Tkach, N. V., E-mail: ktf@chnu.edu.ua; Seti, Ju. A.; Grynyshyn, Yu. B.

2015-04-15

The theory of electron tunneling through an open nanostructure as an active element of a quantum cascade detector is developed, which takes into account the interaction of electrons with confined and interface phonons. Using the method of finite-temperature Green’s functions and the electron-phonon Hamiltonian in the representation of second quantization over all system variables, the temperature shifts and electron-level widths are calculated and the contributions of different electron-phonon-interaction mechanisms to renormalization of the spectral parameters are analyzed depending on the geometrical configuration of the nanosystem. Due to weak electron-phonon coupling in a GaAs/Al{sub 0.34}Ga{sub 0.66}As-based resonant tunneling nanostructure, the temperaturemore » shift and rf field absorption peak width are not very sensitive to the electron-phonon interaction and result from a decrease in potential barrier heights caused by a difference in the temperature dependences of the well and barrier band gaps.« less

Extremely Low Loss Phonon-Trapping Cryogenic Acoustic Cavities for Future Physical Experiments

PubMed Central

Galliou, Serge; Goryachev, Maxim; Bourquin, Roger; Abbé, Philippe; Aubry, Jean Pierre; Tobar, Michael E.

2013-01-01

Low loss Bulk Acoustic Wave devices are considered from the point of view of the solid state approach as phonon-confining cavities. We demonstrate effective design of such acoustic cavities with phonon-trapping techniques exhibiting extremely high quality factors for trapped longitudinally-polarized phonons of various wavelengths. Quality factors of observed modes exceed 1 billion, with a maximum Q-factor of 8 billion and Q × f product of 1.6 · 1018 at liquid helium temperatures. Such high sensitivities allow analysis of intrinsic material losses in resonant phonon systems. Various mechanisms of phonon losses are discussed and estimated. PMID:23823569

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.

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.

Modulation of thermal conductivity in kinked silicon nanowires: phonon interchanging and pinching effects.

PubMed

Jiang, Jin-Wu; Yang, Nuo; Wang, Bing-Shen; Rabczuk, Timon

2013-04-10

We perform molecular dynamics simulations to investigate the reduction of the thermal conductivity by kinks in silicon nanowires. The reduction percentage can be as high as 70% at room temperature. The temperature dependence of the reduction is also calculated. By calculating phonon polarization vectors, two mechanisms are found to be responsible for the reduced thermal conductivity: (1) the interchanging effect between the longitudinal and transverse phonon modes and (2) the pinching effect, that is, a new type of localization, for the twisting and transverse phonon modes in the kinked silicon nanowires. Our work demonstrates that the phonon interchanging and pinching effects, induced by kinking, are brand-new and effective ways in modulating heat transfer in nanowires, which enables the kinked silicon nanowires to be a promising candidate for thermoelectric materials.

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.

Momentum-resolved observations of the phonon instability driving geometric improper ferroelectricity in yttrium manganite

DOE PAGES

Bansal, Dipanshu; Niedziela, Jennifer L.; Sinclair, Ryan; ...

2018-01-02

Magnetoelectrics offer tantalizing opportunities for devices coupling ferroelectricity and magnetism but remain difficult to realize. Breakthrough strategies could circumvent the mutually exclusive origins of magnetism and ferroelectricity by exploiting the interaction of multiple phonon modes in geometric improper and hybrid improper ferroelectrics. Yet, the proposed instability of a zone-boundary phonon mode, driving the emergence of ferroelectricity via coupling to a polar mode, remains to be directly observed. Here, we provide previously missing evidence for this scenario in the archetypal improper ferroelectric, yttrium manganite, through comprehensive scattering measurements of the atomic structure and phonons, supported with first-principles simulations. Our experiments andmore » theoretical modeling resolve the origin of the unusual temperature dependence of the polarization and rule out a reported double-step ferroelectric transition. These results emphasize the critical role of phonon anharmonicity in rationalizing lattice instabilities in improper ferroelectrics and show that including these effects in simulations could facilitate the design of magnetoelectrics.« less

Momentum-resolved observations of the phonon instability driving geometric improper ferroelectricity in yttrium manganite

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

Bansal, Dipanshu; Niedziela, Jennifer L.; Sinclair, Ryan

Magnetoelectrics offer tantalizing opportunities for devices coupling ferroelectricity and magnetism but remain difficult to realize. Breakthrough strategies could circumvent the mutually exclusive origins of magnetism and ferroelectricity by exploiting the interaction of multiple phonon modes in geometric improper and hybrid improper ferroelectrics. Yet, the proposed instability of a zone-boundary phonon mode, driving the emergence of ferroelectricity via coupling to a polar mode, remains to be directly observed. Here, we provide previously missing evidence for this scenario in the archetypal improper ferroelectric, yttrium manganite, through comprehensive scattering measurements of the atomic structure and phonons, supported with first-principles simulations. Our experiments andmore » theoretical modeling resolve the origin of the unusual temperature dependence of the polarization and rule out a reported double-step ferroelectric transition. These results emphasize the critical role of phonon anharmonicity in rationalizing lattice instabilities in improper ferroelectrics and show that including these effects in simulations could facilitate the design of magnetoelectrics.« less

Momentum-resolved observations of the phonon instability driving geometric improper ferroelectricity in yttrium manganite.

PubMed

Bansal, Dipanshu; Niedziela, Jennifer L; Sinclair, Ryan; Garlea, V Ovidiu; Abernathy, Douglas L; Chi, Songxue; Ren, Yang; Zhou, Haidong; Delaire, Olivier

2018-01-02

Magnetoelectrics offer tantalizing opportunities for devices coupling ferroelectricity and magnetism but remain difficult to realize. Breakthrough strategies could circumvent the mutually exclusive origins of magnetism and ferroelectricity by exploiting the interaction of multiple phonon modes in geometric improper and hybrid improper ferroelectrics. Yet, the proposed instability of a zone-boundary phonon mode, driving the emergence of ferroelectricity via coupling to a polar mode, remains to be directly observed. Here, we provide previously missing evidence for this scenario in the archetypal improper ferroelectric, yttrium manganite, through comprehensive scattering measurements of the atomic structure and phonons, supported with first-principles simulations. Our experiments and theoretical modeling resolve the origin of the unusual temperature dependence of the polarization and rule out a reported double-step ferroelectric transition. These results emphasize the critical role of phonon anharmonicity in rationalizing lattice instabilities in improper ferroelectrics and show that including these effects in simulations could facilitate the design of magnetoelectrics.

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.

Computational Study of In-Plane Phonon Transport in Si Thin Films

PubMed Central

Wang, Xinjiang; Huang, Baoling

2014-01-01

We have systematically investigated the in-plane thermal transport in Si thin films using an approach based on the first-principles calculations and lattice dynamics. The effects of phonon mode depletion induced by the phonon confinement and the corresponding variation in interphonon scattering, which may be important for the thermal conductivities of ultra-thin films but are often neglected in precedent studies, are considered in this study. The in-plane thermal conductivities of Si thin films with different thicknesses have been predicted over a temperature range from 80 K to 800 K and excellent agreements with experimental results are found. The validities of adopting the bulk phonon properties and gray approximation of surface specularity in thin film studies have been clarified. It is found that in ultra-thin films, while the phonon depletion will reduce the thermal conductivity of Si thin films, its effect is largely offset by the reduction in the interphonon scattering rate. The contributions of different phonon modes to the thermal transport and isotope effects in Si films with different thicknesses under various temperatures are also analyzed. PMID:25228061

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.

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.

Phonon thermal properties of graphene on h-BN from molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Zou, Ji-Hang; Cao, Bing-Yang

2017-03-01

Phonon thermal properties of graphene on hexagonal boron nitride are investigated by the molecular dynamics simulations combined with lattice dynamics theory. It is found that the dispersion curves have minor changes for supported graphene because the interlayer coupling is too weak to shift the harmonic phonon properties. The ZA and ZO phonon lifetimes are significantly reduced in supported graphene due to the breakdown of the symmetry-based selection rule. The dominant mean free path (MFP) of graphene is reduced from 90-800 nm to 60-500 nm at 300 K. The mode thermal conductivities of free and supported graphene are 3517 W/ (m.K) and 2200 W/ (m.K) at 300 K, respectively. The thermal conductivity of supported graphene decreases by about 37.4% due to the large reduction of flexural phonon lifetimes, and the relative contribution of flexural modes decreases from 35.0% to 16.7%.

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.

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

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.

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.

Band structures in fractal grading porous phononic crystals

NASA Astrophysics Data System (ADS)

Wang, Kai; Liu, Ying; Liang, Tianshu; Wang, Bin

2018-05-01

In this paper, a new grading porous structure is introduced based on a Sierpinski triangle routine, and wave propagation in this fractal grading porous phononic crystal is investigated. The influences of fractal hierarchy and porosity on the band structures in fractal graidng porous phononic crystals are clarified. Vibration modes of unit cell at absolute band gap edges are given to manifest formation mechanism of absolute band gaps. The results show that absolute band gaps are easy to form in fractal structures comparatively to the normal ones with the same porosity. Structures with higher fractal hierarchies benefit multiple wider absolute band gaps. This work provides useful guidance in design of fractal porous phononic crystals.

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

Quantum memory and non-demolition measurement of single phonon state with nitrogen-vacancy centers ensemble.

PubMed

Wang, Rui-Xia; Cai, Kang; Yin, Zhang-Qi; Long, Gui-Lu

2017-11-27

In a diamond, the mechanical vibration-induced strain can lead to interaction between the mechanical mode and the nitrogen-vacancy (NV) centers. In this work, we propose to utilize the strain-induced coupling for the quantum non-demolition (QND) single phonon measurement and memory in a diamond. The single phonon in a diamond mechanical resonator can be perfectly absorbed and emitted by the NV centers ensemble (NVE) with adiabatically tuning the microwave driving. An optical laser drives the NVE to the excited states, which have much larger coupling strength to the mechanical mode. By adiabatically eliminating the excited states under large detuning limit, the effective coupling between the mechanical mode and the NVE can be used for QND measurement of the single phonon state. Under realistic experimental conditions, we numerically simulate the scheme. It is found that the fidelity of the absorbing and emitting process can reach a much high value. The overlap between the input and the output phonon shapes can reach 98.57%.

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 .

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.

Phonon coupling in optical transitions for singlet-triplet pairs of bound excitons in semiconductors

NASA Astrophysics Data System (ADS)

Pistol, M. E.; Monemar, B.

1986-05-01

A model is presented for the observed strong difference in selection rules for coupling of phonons in the one-phonon sideband of optical spectra related to bound excitons in semiconductors. The present treatment is specialized to the case of a closely spaced pair of singlet-triplet character as the lowest electronic states, as is common for bound excitons associated with neutral complexes in materials like GaP and Si. The optical transition for the singlet bound-exciton state is found to couple strongly only to symmetric A1 modes. The triplet state has a similar coupling strength to A1 modes, but in addition strong contributions are found for replicas corresponding to high-density-of-states phonons TAX, LAX, and TOX. This can be explained by a treatment of particle-phonon coupling beyond the ordinary adiabatic approximation. A weak mixing between the singlet and triplet states is mediated by the phonon coupling, as described in first-order perturbation theory. The model derived in this work, for such phonon-induced mixing of closely spaced electronic states, is shown to explain the observed phonon coupling for several bound-exciton systems of singlet-triplet character in GaP. In addition, the observed oscillator strength of the forbidden triplet state may be explained as partly derived from phonon-induced mixing with the singlet state, which has a much larger oscillator strength.

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.

Off-axis phonon and photon propagation in porous silicon superlattices studied by Brillouin spectroscopy and optical reflectance

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

Parsons, L. C., E-mail: lcparsons@mun.ca; Andrews, G. T., E-mail: tandrews@mun.ca

2014-07-21

Brillouin light scattering experiments and optical reflectance measurements were performed on a pair of porous silicon-based optical Bragg mirrors which had constituent layer porosity ratios close to unity. For off-axis propagation, the phononic and photonic band structures of the samples were modeled as a series of intersecting linear dispersion curves. Zone-folding was observed for the longitudinal bulk acoustic phonon and the frequency of the probed zone-folded longitudinal phonon was shown to be dependent on the propagation direction as well as the folding order of the mode branch. There was no conclusive evidence of coupling between the transverse and the foldedmore » longitudinal modes. Two additional observed Brillouin peaks were attributed to the Rayleigh surface mode and a possible pseudo-surface mode. Both of these modes were dispersive, with the velocity increasing as the wavevector decreased.« less

Two-mode thermal-noise squeezing in an electromechanical resonator.

PubMed

Mahboob, I; Okamoto, H; Onomitsu, K; Yamaguchi, H

2014-10-17

An electromechanical resonator is developed in which mechanical nonlinearities can be dynamically engineered to emulate the nondegenerate parametric down-conversion interaction. In this configuration, phonons are simultaneously generated in pairs in two macroscopic vibration modes, resulting in the amplification of their motion. In parallel, two-mode thermal squeezed states are also created, which exhibit fluctuations below the thermal motion of their constituent modes as well as harboring correlations between the modes that become almost perfect as their amplification is increased. The existence of correlations between two massive phonon ensembles paves the way towards an entangled macroscopic mechanical system at the single phonon level.

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.

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.

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

Tunable phonon-cavity coupling in graphene membranes.

PubMed

De Alba, R; Massel, F; Storch, I R; Abhilash, T S; Hui, A; McEuen, P L; Craighead, H G; Parpia, J M

2016-09-01

A major achievement of the past decade has been the realization of macroscopic quantum systems by exploiting the interactions between optical cavities and mechanical resonators. In these systems, phonons are coherently annihilated or created in exchange for photons. Similar phenomena have recently been observed through phonon-cavity coupling-energy exchange between the modes of a single system mediated by intrinsic material nonlinearity. This has so far been demonstrated primarily for bulk crystalline, high-quality-factor (Q > 10(5)) mechanical systems operated at cryogenic temperatures. Here, we propose graphene as an ideal candidate for the study of such nonlinear mechanics. The large elastic modulus of this material and capability for spatial symmetry breaking via electrostatic forces is expected to generate a wealth of nonlinear phenomena, including tunable intermodal coupling. We have fabricated circular graphene membranes and report strong phonon-cavity effects at room temperature, despite the modest Q factor (∼100) of this system. We observe both amplification into parametric instability (mechanical lasing) and the cooling of Brownian motion in the fundamental mode through excitation of cavity sidebands. Furthermore, we characterize the quenching of these parametric effects at large vibrational amplitudes, offering a window on the all-mechanical analogue of cavity optomechanics, where the observation of such effects has proven elusive.

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.

Electron-phonon heat exchange in quasi-two-dimensional nanolayers

NASA Astrophysics Data System (ADS)

Anghel, Dragos-Victor; Cojocaru, Sergiu

2017-12-01

We study the heat power P transferred between electrons and phonons in thin metallic films deposited on free-standing dielectric membranes. The temperature range is typically below 1 K, such that the wavelengths of the excited phonon modes in the system is large enough so that the picture of a quasi-two-dimensional phonon gas is applicable. Moreover, due to the quantization of the components of the electron wavevectors perpendicular to the metal film's surface, the electrons spectrum forms also quasi two-dimensional sub-bands, as in a quantum well (QW). We describe in detail the contribution to the electron-phonon energy exchange of different electron scattering channels, as well as of different types of phonon modes. We find that heat flux oscillates strongly with thickness of the film d while having a much smoother variation with temperature (Te for the electrons temperature and Tph for the phonons temperature), so that one obtains a ridge-like landscape in the two coordinates, (d, Te) or (d, Tph), with crests and valleys aligned roughly parallel to the temperature axis. For the valley regions we find P ∝ Te3.5 - Tph3.5. From valley to crest, P increases by more than one order of magnitude and on the crests P cannot be represented by a simple power law. The strong dependence of P on d is indicative of the formation of the QW state and can be useful in controlling the heat transfer between electrons and crystal lattice in nano-electronic devices. Nevertheless, due to the small value of the Fermi wavelength in metals, the surface imperfections of the metallic films can reduce the magnitude of the oscillations of P vs. d, so this effect might be easier to observe experimentally in doped semiconductors.

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.

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.

Phonon Dispersion and the Competition between Pairing and Charge Order

NASA Astrophysics Data System (ADS)

Costa, N. C.; Blommel, T.; Chiu, W.-T.; Batrouni, G.; Scalettar, R. T.

2018-05-01

The Holstein model describes the interaction between fermions and a collection of local (dispersionless) phonon modes. In the dilute limit, the phonon degrees of freedom dress the fermions, giving rise to polaron and bipolaron formation. At higher densities, the phonons mediate collective superconducting (SC) and charge-density wave (CDW) phases. Quantum Monte Carlo (QMC) simulations have considered both these limits but have not yet focused on the physics of more general phonon spectra. Here we report QMC studies of the role of phonon dispersion on SC and CDW order in such models. We quantify the effect of finite phonon bandwidth and curvature on the critical temperature Tcdw for CDW order and also uncover several novel features of diagonal long-range order in the phase diagram, including a competition between charge patterns at momenta q =(π ,π ) and q =(0 ,π ) which lends insight into the relationship between Fermi surface nesting and the wave vector at which charge order occurs. We also demonstrate SC order at half filling in situations where a nonzero bandwidth sufficiently suppresses Tcdw.

Phonon Networks with Silicon-Vacancy Centers in Diamond Waveguides

NASA Astrophysics Data System (ADS)

Lemonde, M.-A.; Meesala, S.; Sipahigil, A.; Schuetz, M. J. A.; Lukin, M. D.; Loncar, M.; Rabl, P.

2018-05-01

We propose and analyze a novel realization of a solid-state quantum network, where separated silicon-vacancy centers are coupled via the phonon modes of a quasi-one-dimensional diamond waveguide. In our approach, quantum states encoded in long-lived electronic spin states can be converted into propagating phonon wave packets and be reabsorbed efficiently by a distant defect center. Our analysis shows that under realistic conditions, this approach enables the implementation of high-fidelity, scalable quantum communication protocols within chip-scale spin-qubit networks. Apart from quantum information processing, this setup constitutes a novel waveguide QED platform, where strong-coupling effects between solid-state defects and individual propagating phonons can be explored at the quantum level.

Phonon Networks with Silicon-Vacancy Centers in Diamond Waveguides.

PubMed

Lemonde, M-A; Meesala, S; Sipahigil, A; Schuetz, M J A; Lukin, M D; Loncar, M; Rabl, P

2018-05-25

We propose and analyze a novel realization of a solid-state quantum network, where separated silicon-vacancy centers are coupled via the phonon modes of a quasi-one-dimensional diamond waveguide. In our approach, quantum states encoded in long-lived electronic spin states can be converted into propagating phonon wave packets and be reabsorbed efficiently by a distant defect center. Our analysis shows that under realistic conditions, this approach enables the implementation of high-fidelity, scalable quantum communication protocols within chip-scale spin-qubit networks. Apart from quantum information processing, this setup constitutes a novel waveguide QED platform, where strong-coupling effects between solid-state defects and individual propagating phonons can be explored at the quantum level.

Holographic Phonons

NASA Astrophysics Data System (ADS)

Alberte, Lasma; Ammon, Martin; Jiménez-Alba, Amadeo; Baggioli, Matteo; Pujolàs, Oriol

2018-04-01

We present a class of holographic massive gravity models that realize a spontaneous breaking of translational symmetry—they exhibit transverse phonon modes whose speed relates to the elastic shear modulus according to elasticity theory. Massive gravity theories thus emerge as versatile and convenient theories to model generic types of translational symmetry breaking: explicit, spontaneous, and a mixture of both. The nature of the breaking is encoded in the radial dependence of the graviton mass. As an application of the model, we compute the temperature dependence of the shear modulus and find that it features a glasslike melting transition.

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.

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

Enhanced photon-phonon cross-Kerr nonlinearity with two-photon driving.

PubMed

Yin, Tai-Shuang; Lü, Xin-You; Wan, Liang-Liang; Bin, Shang-Wu; Wu, Ying

2018-05-01

We propose a scheme to significantly enhance the cross-Kerr (CK) nonlinearity between photons and phonons in a quadratically coupled optomechanical system (OMS) with two-photon driving. This CK nonlinear enhancement originates from the parametric-driving-induced squeezing and the underlying nonlinear optomechanical interaction. Moreover, the noise of the squeezed mode can be suppressed completely by introducing a squeezed vacuum reservoir. As a result of this dramatic nonlinear enhancement and the suppressed noise, we demonstrate the feasibility of the quantum nondemolition measurement of the phonon number in an originally weak coupled OMS. In addition, the photon-phonon blockade phenomenon is also investigated in this regime, which allows for performing manipulations between photons and phonons. This Letter offers a promising route towards the potential application for the OMS in quantum information processing and quantum networks.

Calculated temperature dependence of elastic constants and phonon dispersion of hcp and bcc beryllium

NASA Astrophysics Data System (ADS)

Hahn, Steven; Arapan, Sergiu; Harmon, Bruce; Eriksson, Olle

2011-03-01

Conventional first principle methods for calculating lattice dynamics are unable to calculate high temperature thermophysical properties of materials containing modes that are entropically stabilized. In this presentation we use a relatively new approach called self-consistent ab initio lattice dynamics (SCAILD) to study the hcp to bcc transition (1530 K) in beryllium. The SCAILD method goes beyond the harmonic approximation to include phonon-phonon interactions and produces a temperature-dependent phonon dispersion. In the high temperature bcc structure, phonon-phonon interactions dynamically stabilize the N-point phonon. Fits to the calculated phonon dispersion were used to determine the temperature dependence of the elastic constants in the hcp and bcc phases. Work at the Ames Laboratory was supported by the Department of Energy-Basic Energy Sciences under Contract No. DE-AC02-07CH11358.

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.

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

Activation of coherent lattice phonon following ultrafast molecular spin-state photo-switching: A molecule-to-lattice energy transfer

PubMed Central

Marino, A.; Cammarata, M.; Matar, S. F.; Létard, J.-F.; Chastanet, G.; Chollet, M.; Glownia, J. M.; Lemke, H. T.; Collet, E.

2015-01-01

We combine ultrafast optical spectroscopy with femtosecond X-ray absorption to study the photo-switching dynamics of the [Fe(PM-AzA)2(NCS)2] spin-crossover molecular solid. The light-induced excited spin-state trapping process switches the molecules from low spin to high spin (HS) states on the sub-picosecond timescale. The change of the electronic state (<50 fs) induces a structural reorganization of the molecule within 160 fs. This transformation is accompanied by coherent molecular vibrations in the HS potential and especially a rapidly damped Fe-ligand breathing mode. The time-resolved studies evidence a delayed activation of coherent optical phonons of the lattice surrounding the photoexcited molecules. PMID:26798836

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

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.

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.

Spatial Distortion of Vibration Modes via Magnetic Correlation of Impurities

NASA Astrophysics Data System (ADS)

Krasniqi, F. S.; Zhong, Y.; Epp, S. W.; Foucar, L.; Trigo, M.; Chen, J.; Reis, D. A.; Wang, H. L.; Zhao, J. H.; Lemke, H. T.; Zhu, D.; Chollet, M.; Fritz, D. M.; Hartmann, R.; Englert, L.; Strüder, L.; Schlichting, I.; Ullrich, J.

2018-03-01

Long wavelength vibrational modes in the ferromagnetic semiconductor Ga0.91 Mn0.09 As are investigated using time resolved x-ray diffraction. At room temperature, we measure oscillations in the x-ray diffraction intensity corresponding to coherent vibrational modes with well-defined wavelengths. When the correlation of magnetic impurities sets in, we observe the transition of the lattice into a disordered state that does not support coherent modes at large wavelengths. Our measurements point toward a magnetically induced broadening of long wavelength vibrational modes in momentum space and their quasilocalization in the real space. More specifically, long wavelength vibrational modes cannot be assigned to a single wavelength but rather should be represented as a superposition of plane waves with different wavelengths. Our findings have strong implications for the phonon-related processes, especially carrier-phonon and phonon-phonon scattering, which govern the electrical conductivity and thermal management of semiconductor-based devices.

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.

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.

Emergence of an Out-of-Plane Optical Phonon (ZO) Kohn Anomaly in Quasifreestanding Epitaxial Graphene.

PubMed

Politano, Antonio; de Juan, Fernando; Chiarello, Gennaro; Fertig, Herbert A

2015-08-14

In neutral graphene, two prominent cusps known as Kohn anomalies are found in the phonon dispersion of the highest optical phonon at q=Γ (LO branch) and q=K (TO branch), reflecting a significant electron-phonon coupling (EPC) to undoped Dirac electrons. In this work, high-resolution electron energy loss spectroscopy is used to measure the phonon dispersion around the Γ point in quasifreestanding graphene epitaxially grown on Pt(111). The Kohn anomaly for the LO phonon is observed at finite momentum q~2k_{F} from Γ, with a shape in excellent agreement with the theory and consistent with known values of the EPC and the Fermi level. More strikingly, we also observe a Kohn anomaly at the same momentum for the out-of-plane optical phonon (ZO) branch. This observation is the first direct evidence of the coupling of the ZO mode with Dirac electrons, which is forbidden for freestanding graphene but becomes allowed in the presence of a substrate. Moreover, we estimate the EPC to be even greater than that of the LO mode, making graphene on Pt(111) an optimal system to explore the effects of this new coupling in the electronic properties.

Ab initio phonon thermal transport in monolayer InSe, GaSe, GaS, and alloys

NASA Astrophysics Data System (ADS)

Pandey, Tribhuwan; Parker, David S.; Lindsay, Lucas

2017-11-01

We compare vibrational properties and phonon thermal conductivities (κ) of monolayer InSe, GaSe, and GaS systems using density functional theory and Peierls-Boltzmann transport methods. In going from InSe to GaSe to GaS, system mass decreases giving both increasing acoustic phonon velocities and decreasing scattering of these heat-carrying modes with optic phonons, ultimately giving {κ }{InSe}< {κ }{GaSe}< {κ }{GaS}. This behavior is demonstrated by correlating the scattering phase space limited by fundamental conservation conditions with mode scattering rates and phonon dispersions for each material. We also show that, unlike flat monolayer systems such as graphene, in InSe, GaSe and GaS thermal transport is governed by in-plane vibrations. Alloying of InSe, GaSe, and GaS systems provides an effective method for modulating their κ through intrinsic vibrational modifications and phonon scattering from mass disorder giving reductions ˜2-3.5 times. This disorder also suppresses phonon mean free paths in the alloy systems compared to those in their crystalline counterparts. This work provides fundamental insights of lattice thermal transport from basic vibrational properties for an interesting set of two-dimensional materials.

Correspondence: Reply to ‘Phantom phonon localization in relaxors’

DOE PAGES

Manley, Michael E.; Abernathy, Douglas L.; Budai, John D.

2017-12-05

The Correspondence by Gehring et al. mistakes Anderson phonon localization for the concept of an atomic-scale local mode. An atomic-scale local mode refers to a single atom vibrating on its own within a crystal. Such a local mode will have an almost flat intensity profile, but this is not the same as phonon localization. Anderson localization is a wave interference effect in a disordered system that results in waves becoming spatially localized. The length scale of the localized waves is set by the wavelength, which is approximately 2 nm in this case. This larger length scale in real space meansmore » narrower intensity profiles in reciprocal space. Here, we conclude that the claims in the Correspondence by Gehring et al. are incorrect because they mistakenly assume that the length scale for Anderson localization is atomic, and because the experimental observations rule out multiple scattering as the origin.« less

Correspondence: Reply to ‘Phantom phonon localization in relaxors’

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

Manley, Michael E.; Abernathy, Douglas L.; Budai, John D.

The Correspondence by Gehring et al. mistakes Anderson phonon localization for the concept of an atomic-scale local mode. An atomic-scale local mode refers to a single atom vibrating on its own within a crystal. Such a local mode will have an almost flat intensity profile, but this is not the same as phonon localization. Anderson localization is a wave interference effect in a disordered system that results in waves becoming spatially localized. The length scale of the localized waves is set by the wavelength, which is approximately 2 nm in this case. This larger length scale in real space meansmore » narrower intensity profiles in reciprocal space. Here, we conclude that the claims in the Correspondence by Gehring et al. are incorrect because they mistakenly assume that the length scale for Anderson localization is atomic, and because the experimental observations rule out multiple scattering as the origin.« less

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

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.

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.

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.

Strong Coupling of Epsilon-Near-Zero Phonon Polaritons in Polar Dielectric Heterostructures.

PubMed

Passler, Nikolai Christian; Gubbin, Christopher R; Folland, Thomas Graeme; Razdolski, Ilya; Katzer, D Scott; Storm, David F; Wolf, Martin; De Liberato, Simone; Caldwell, Joshua D; Paarmann, Alexander

2018-06-18

We report the first observation of epsilon-near-zero (ENZ) phonon polaritons in an ultrathin AlN film fully hybridized with surface phonon polaritons (SPhP) supported by the adjacent SiC substrate. Employing a strong coupling model for the analysis of the dispersion and electric field distribution in these hybridized modes, we show that they share the most prominent features of the two precursor modes. The novel ENZ-SPhP coupled polaritons with a highly propagative character and deeply subwavelength light confinement can be utilized as building blocks for future infrared and terahertz nanophotonic integration and communication devices.

Electron-Phonon and Electron-Electron Interactions in Individual Suspended Carbon Nanotubes

NASA Astrophysics Data System (ADS)

Cronin, Stephen

2010-03-01

The fabrication of pristine, nearly defect-free, suspended carbon nanotubes (CNTs) enables the observation of several phenomena not seen before in carbon nanotubes, including breakdown of the Born-Oppenheimer approximation^1, mode selective electron-phonon coupling^2, and a Mott insulator transition^3. Raman spectroscopy of these nanotubes under applied gate and bias potentials reveals exceptionally strong electron-phonon coupling, arising from Kohn anomalies, which result in mode selective electron-phonon coupling, negative differential conductance (NDC), and non-equilibrium phonon populations^2,4. Due to the extremely long electron lifetimes, we observe a breakdown of the Born-Oppenheimer approximation, as deduced from the gate voltage-induced changes in the vibrational energies of suspended carbon nanotubes^1. We also report strikingly large variations in the Raman intensity of pristine metallic CNTs in response to gate voltages, which are attributed to a Mott insulating state of the strongly correlated electrons^3. As will be shown, preparing clean, defect-free devices is an essential prerequisite for studying the rich low-dimensional physics of CNTs. (1.) Bushmaker, A.W., Deshpande, V.V., Hsieh, S., Bockrath, M.W., and Cronin, S.B., ``Direct Observation of Born-Oppenheimer Approximation Breakdown in Carbon Nanotubes.'' Nano Letters, 9, 607 (2009). (2.) Bushmaker, A.W., Deshpande, V.V., Bockrath, M.W., and Cronin, S.B., ``Direct Observation of Mode Selective Electron-Phonon Coupling in Suspended Carbon Nanotubes.'' Nano Letters, 7, 3618 (2007) (3.) Bushmaker, A.W., Deshpande, V.V., Hsieh, S., Bockrath, M.W., and Cronin, S.B., ``Large Modulations in the Intensity of Raman-Scattered Light from Pristine Carbon Nanotubes.'' Physical Review Letters, 103, 067401 (2009). (4.) Bushmaker, A.W., Deshpande, V.V., Hsieh, S., Bockrath, M.W., and Cronin, S.B., ``Gate Voltage Controlled Non-Equilibrium and Non-Ohmic Behavior in Suspended Carbon Nanotubes.'' Nano Letters, 9

Phonovoltaic. I. Harvesting hot optical phonons in a nanoscale p -n junction

NASA Astrophysics Data System (ADS)

Melnick, Corey; Kaviany, Massoud

2016-03-01

The phonovoltaic (pV) cell is similar to the photovoltaic. It harvests nonequilibrium (hot) optical phonons (Ep ,O) more energetic than the band gap (Δ Ee ,g) to generate power in a p-n junction. We examine the theoretical electron-phonon and phonon-phonon scattering rates, the Boltzmann transport of electrons, and the diode equation and hydrodynamic simulations to describe the operation of a pV cell and develop an analytic model predicting its efficiency. Our findings indicate that a pV material with Ep ,O≃Δ Ee ,g≫kBT , where kBT is the thermal energy, and a strong interband electron-phonon coupling surpasses the thermoelectric limit, provided the optical phonon population is excited in a nanoscale cell, enabling the ensuing local nonequilibrium. Finding and tuning a material with these properties is challenging. In Paper II [C. Melnick and M. Kaviany, Phys. Rev. B 93, 125203 (2016), 10.1103/PhysRevB.93.125203], we tune the band gap of graphite within density functional theory through hydrogenation and the application of isotropic strains. The band gap is tuned to resonate with its energetic optical phonon modes and calculate the ab initio electron-phonon and phonon-phonon scattering rates. While hydrogenation degrades the strong electron-phonon coupling in graphene such that the figure of merit vanishes, we outline the methodology for a continued material search.

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

Spatial Distortion of Vibration Modes via Magnetic Correlation of Impurities

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

Krasniqi, Faton S.; Zhong, Yinpeng; Epp, S. W.

Long wavelength vibrational modes in the ferromagnetic semiconductor Ga 0.91M n0.09As are investigated using time resolved x-ray diffraction. At room temperature, we measure oscillations in the x-ray diffraction intensity corresponding to coherent vibrational modes with well-defined wavelengths. When the correlation of magnetic impurities sets in, we observe the transition of the lattice into a disordered state that does not support coherent modes at large wavelengths. Our measurements point toward a magnetically induced broadening of long wavelength vibrational modes in momentum space and their quasilocalization in the real space. More specifically, long wavelength vibrational modes cannot be assigned to a singlemore » wavelength but rather should be represented as a superposition of plane waves with different wavelengths. Lastly, our findings have strong implications for the phonon-related processes, especially carrier-phonon and phonon-phonon scattering, which govern the electrical conductivity and thermal management of semiconductor-based devices.« less

Spatial Distortion of Vibration Modes via Magnetic Correlation of Impurities

DOE PAGES

Krasniqi, Faton S.; Zhong, Yinpeng; Epp, S. W.; ...

2018-03-08

Long wavelength vibrational modes in the ferromagnetic semiconductor Ga 0.91M n0.09As are investigated using time resolved x-ray diffraction. At room temperature, we measure oscillations in the x-ray diffraction intensity corresponding to coherent vibrational modes with well-defined wavelengths. When the correlation of magnetic impurities sets in, we observe the transition of the lattice into a disordered state that does not support coherent modes at large wavelengths. Our measurements point toward a magnetically induced broadening of long wavelength vibrational modes in momentum space and their quasilocalization in the real space. More specifically, long wavelength vibrational modes cannot be assigned to a singlemore » wavelength but rather should be represented as a superposition of plane waves with different wavelengths. Lastly, our findings have strong implications for the phonon-related processes, especially carrier-phonon and phonon-phonon scattering, which govern the electrical conductivity and thermal management of semiconductor-based devices.« less

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.

Effect of crystal structure and cationic order on phonon modes across ferroelectric phase transformation in Pb(Fe{sub 0.5-x}Sc{sub x}Nb{sub 0.5})O{sub 3} bulk ceramics

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

Mallesham, B.; Ranjith, R., E-mail: ranjith@iith.ac.in; Viswanath, B.

Pb(Fe{sub 0.5-x}Sc{sub x}Nb{sub 0.5})O{sub 3} [(PFSN) (0 ≤ x ≤ 0.5)] multiferroic relaxors were synthesized and the temperature dependence of phonon modes across ferroelectric to paraelectric transition was studied. With varying Sc content from x = 0 to 0.25 the structure remains monoclinic and with further addition (x = 0.3 - 0.5) the structure transforms into rhombohedral symmetry. Structural refinement studies showed that the change in crystal structure from monoclinic to rhombohedral symmetry involves a volume increment of 34-36%. Associated changes in the tolerance factor (1.024 ≤ t ≤ 0.976) and bond angles were observed. Structure assisted B′-B″ cation orderingmore » was confirmed through the superlattice reflections in selected area electron diffraction (SAED) pattern of Pb(Sc{sub 0.5}Nb{sub 0.5})O{sub 3} (x = 0.5). Cation ordering is also evident from the evolution of Pb-O phonon mode in Raman spectra of compositions with rhombohedral symmetry (x ≥ 0.3). The high temperature Raman scattering studies show that the B-localized mode [F{sub 1u}, ∼250 cm{sup −1}] and BO{sub 6} octahedral rotational mode [F{sub 1g}, ∼200 cm{sup −1}], both originating from polar nano regions (PNRs) behave like coupled phonon modes in rhombohedral symmetry. However, in monoclinic symmetry they behave independently across the transition. Softening of B localized mode across the transition followed by the hardening for all compositions confirms the diffusive nature of the ferroelectric transformation. The presence of correlation between the B localized and BO{sub 6} rotational modes introduces a weak relaxor feature for systems with rhombohedral symmetry in PFSN ceramics, which was confirmed from the macroscopic dielectric studies.« less

Phonon and magnon dispersions of incommensurate spin ladder compound Sr14Cu24O41

NASA Astrophysics Data System (ADS)

Chen, Xi; Bansal, Dipanshu; Sullivan, Sean; Zhou, Jianshi; Delaire, Olivier; Shi, Li

There are a variety of compounds consisting of two or more interpenetrating sublattices with lattice periods incommensurate at least along one crystal axis. One example is spin ladder compound Sr14Cu24O41 consisting of incommensurate spin ladder and spin chain sublattices. It has been predicted that unique phonon modes occur in these compounds due to the relative motion of the sublattices. In the low-wavelength limit, there is only one longitudinal acoustic mode due to the rigid translation of both sublattices. In addition, one extra pseudo-acoustic mode is present due to relative sliding motions of the two sublattices. Although the theoretical aspects of the lattice dynamics of incommensurate compounds have been studied, there have been few experimental investigations on their phonon dynamics. In this work, single crystals of Sr14Cu24O41are grown by the traveling solvent floating zone method. The phonon dispersion of Sr14Cu24O41 is studied through inelastic neutron scattering measurements in order to better understand its phonon dynamics. In addition, its magnon dispersion is investigated and correlated to the large directional magnon thermal conductivity. The measurements reveal a wealth of intriguing features on phonons and magnons in the spin ladder compound. This work is supported by ARO MURI program under Award # W911NF-14-1-0016.

3-D phononic crystals with ultra-wide band gaps

PubMed Central

Lu, Yan; Yang, Yang; Guest, James K.; Srivastava, Ankit

2017-01-01

In this paper gradient based topology optimization (TO) is used to discover 3-D phononic structures that exhibit ultra-wide normalized all-angle all-mode band gaps. The challenging computational task of repeated 3-D phononic band-structure evaluations is accomplished by a combination of a fast mixed variational eigenvalue solver and distributed Graphic Processing Unit (GPU) parallel computations. The TO algorithm utilizes the material distribution-based approach and a gradient-based optimizer. The design sensitivity for the mixed variational eigenvalue problem is derived using the adjoint method and is implemented through highly efficient vectorization techniques. We present optimized results for two-material simple cubic (SC), body centered cubic (BCC), and face centered cubic (FCC) crystal structures and show that in each of these cases different initial designs converge to single inclusion network topologies within their corresponding primitive cells. The optimized results show that large phononic stop bands for bulk wave propagation can be achieved at lower than close packed spherical configurations leading to lighter unit cells. For tungsten carbide - epoxy crystals we identify all angle all mode normalized stop bands exceeding 100%, which is larger than what is possible with only spherical inclusions. PMID:28233812

3-D phononic crystals with ultra-wide band gaps.

PubMed

Lu, Yan; Yang, Yang; Guest, James K; Srivastava, Ankit

2017-02-24

In this paper gradient based topology optimization (TO) is used to discover 3-D phononic structures that exhibit ultra-wide normalized all-angle all-mode band gaps. The challenging computational task of repeated 3-D phononic band-structure evaluations is accomplished by a combination of a fast mixed variational eigenvalue solver and distributed Graphic Processing Unit (GPU) parallel computations. The TO algorithm utilizes the material distribution-based approach and a gradient-based optimizer. The design sensitivity for the mixed variational eigenvalue problem is derived using the adjoint method and is implemented through highly efficient vectorization techniques. We present optimized results for two-material simple cubic (SC), body centered cubic (BCC), and face centered cubic (FCC) crystal structures and show that in each of these cases different initial designs converge to single inclusion network topologies within their corresponding primitive cells. The optimized results show that large phononic stop bands for bulk wave propagation can be achieved at lower than close packed spherical configurations leading to lighter unit cells. For tungsten carbide - epoxy crystals we identify all angle all mode normalized stop bands exceeding 100%, which is larger than what is possible with only spherical inclusions.

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

Phononic thermal conductivity in silicene: the role of vacancy defects and boundary scattering

NASA Astrophysics Data System (ADS)

Barati, M.; Vazifehshenas, T.; Salavati-fard, T.; Farmanbar, M.

2018-04-01

We calculate the thermal conductivity of free-standing silicene using the phonon Boltzmann transport equation within the relaxation time approximation. In this calculation, we investigate the effects of sample size and different scattering mechanisms such as phonon–phonon, phonon-boundary, phonon-isotope and phonon-vacancy defect. We obtain some similar results to earlier works using a different model and provide a more detailed analysis of the phonon conduction behavior and various mode contributions. We show that the dominant contribution to the thermal conductivity of silicene, which originates from the in-plane acoustic branches, is about 70% at room temperature and this contribution becomes larger by considering vacancy defects. Our results indicate that while the thermal conductivity of silicene is significantly suppressed by the vacancy defects, the effect of isotopes on the phononic transport is small. Our calculations demonstrate that by removing only one of every 400 silicon atoms, a substantial reduction of about 58% in thermal conductivity is achieved. Furthermore, we find that the phonon-boundary scattering is important in defectless and small-size silicene samples, especially at low temperatures.

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

Topological phononic states of underwater sound based on coupled ring resonators

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

He, Cheng; Li, Zheng; Ni, Xu

We report a design of topological phononic states for underwater sound using arrays of acoustic coupled ring resonators. In each individual ring resonator, two degenerate acoustic modes, corresponding to clockwise and counter-clockwise propagation, are treated as opposite pseudospins. The gapless edge states arise in the bandgap resulting in protected pseudospin-dependent sound transportation, which is a phononic analogue of the quantum spin Hall effect. We also investigate the robustness of the topological sound state, suggesting that the observed pseudospin-dependent sound transportation remains unless the introduced defects facilitate coupling between the clockwise and counter-clockwise modes (in other words, the original mode degeneracymore » is broken). The topological engineering of sound transportation will certainly promise unique design for next generation of acoustic devices in sound guiding and switching, especially for underwater acoustic devices.« less

Phonon-assisted damping of plasmons in three- and two-dimensional metals

NASA Astrophysics Data System (ADS)

Caruso, Fabio; Novko, Dino; Draxl, Claudia

2018-05-01

We investigate the effects of crystal lattice vibrations on the dispersion of plasmons. The loss function of the homogeneous electron gas (HEG) in two and three dimensions is evaluated numerically in the presence of electronic coupling to an optical phonon mode. Our calculations are based on many-body perturbation theory for the dielectric function as formulated by the Hedin-Baym equations in the Fan-Migdal approximation. The coupling to phonons broadens the spectral signatures of plasmons in the electron-energy loss spectrum (EELS) and it induces the decay of plasmons on timescales shorter than 1 ps. Our results further reveal the formation of a kink in the plasmon dispersion of the two-dimensional HEG, which marks the onset of plasmon-phonon scattering. Overall, these features constitute a fingerprint of plasmon-phonon coupling in EELS of simple metals. It is shown that these effects may be accounted for by resorting to a simplified treatment of the electron-phonon interaction which is amenable to first-principles calculations.

Phonon mediated quantum spin simulator made from a two-dimensional Wigner crystal in Penning traps

NASA Astrophysics Data System (ADS)

Wang, Joseph; Keith, Adam; Freericks, J. K.

2013-03-01

Motivated by recent advances in quantum simulations in a Penning trap, we give a theoretical description for the use of two-dimensional cold ions in a rotating trap as a quantum emulator. The collective axial phonon modes and planar modes are studied in detail, including all effects of the rotating frame. We show the character of the phonon modes and spectrum, which is crucial for engineering exotic spin interactions. In the presence of laser-ion coupling with these coherent phonon excitations, we show theoretically how the spin-spin Hamiltonian can be generated. Specifically, we notice certain parameter regimes in which the level of frustration between spins can be engineered by the coupling to the planar modes. This may be relevant to the quantum simulation of spin-glass physics or other disordered problems. This work was supported under ARO grant number W911NF0710576 with funds from the DARPA OLE Program. J. K. F. also acknowledges the McDevitt bequest at Georgetown University. A. C. K. also acknowledges support of the National Science Foundation under grant

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

Ab initio phonon thermal transport in monolayer InSe, GaSe, GaS, and alloys

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

Pandey, Tribhuwan; Parker, David S.; Lindsay, Lucas

We compare vibrational properties and phonon thermal conductivities (κ) of monolayer InSe, GaSe and GaS systems using density functional theory and Peierls-Boltzmann transport methods. In going from InSe to GaSe to GaS, system mass decreases giving both increasing acoustic phonon velocities and decreasing scattering of these heat-carrying modes with optic phonons, ultimately giving κInSe< κGaSe< κGaS. This behavior is demonstrated by correlating the scattering phase space limited by fundamental conservation conditions with mode scattering rates and phonon dispersions for each material. We also show that, unlike flat monolayer systems such as graphene, thermal transport is governed by in-plane vibrations inmore » InSe, GaSe and GaS, similar to buckled monolayer materials such as silicene. Alloying of InSe, GaSe and GaS systems provides an effective method for modulating their κ through intrinsic vibrational modifications and phonon scattering from mass disorder giving reductions ~2-3.5 times. This disorder also suppresses phonon mean free paths in the alloy systems compared to those in their crystalline counterparts. This work provides fundamental insights of lattice thermal transport from basic vibrational properties for an interesting set of two-dimensional materials.« less

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.

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

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.

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.

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

NASA Astrophysics Data System (ADS)

Shen, Xiaohan

less than 100 nm was observed. The longitudinal acoustic phonon transport in silicon (Si) nanorod with confined diameter and length was investigated. The guided phonon modes in Si nanorod with different frequencies and wave vectors were observed. The mean-free-path of the guided phonons in Si nanorod was found to be larger than the effective phonon mean-free-path in Si film, because of the limited phonon scattering channels in Si nanorod. The phonon density of states and dispersion relation strongly depend on the size and boundary conditions of nanorod. Our work demonstrates the possibility of modifying the phonon transport properties in nanoscale materials by designing the size and boundary conditions, hence the control of thermal conductivity. In addition, the periodicity effect of nanostructures on acoustic phonon transport was investigated in silicon dioxide (SiO2) nanorod arrays. The lattice modes and mechanical eigenmodes were observed, and the pitch effect on lattice modes was discussed. A narrowband acoustic phonon spectroscopic technique with tunable frequency and spectral width throughout GHz frequency range has been developed to investigate the frequency-dependent acoustic phonon transport in nanoscale materials. The quadratic frequency dependence of acoustic attenuation of SiO2 and indium tin oxide (ITO) thin films was observed, and the acoustic attenuation of ITO was found to be larger than SiO2. Moreover, the acoustic control on mechanical resonance of nanoscale materials using the narrowband acoustic phonon source was demonstrated in tungsten thin film.

Phononic Crystal Tunable via Ferroelectric Phase Transition

NASA Astrophysics Data System (ADS)

Xu, Chaowei; Cai, Feiyan; Xie, Shuhong; Li, Fei; Sun, Rong; Fu, Xianzhu; Xiong, Rengen; Zhang, Yi; Zheng, Hairong; Li, Jiangyu

2015-09-01

Phononic crystals (PCs) consisting of periodic materials with different acoustic properties have potential applications in functional devices. To realize more smart functions, it is desirable to actively control the properties of PCs on demand, ideally within the same fabricated system. Here, we report a tunable PC made of Ba0.7Sr0.3Ti O3 (BST) ceramics, wherein a 20-K temperature change near room temperature results in a 20% frequency shift in the transmission spectra induced by a ferroelectric phase transition. The tunability phenomenon is attributed to the structure-induced resonant excitation of A0 and A1 Lamb modes that exist intrinsically in the uniform BST plate, while these Lamb modes are sensitive to the elastic properties of the plate and can be modulated by temperature in a BST plate around the Curie temperature. The study finds opportunities for creating tunable PCs and enables smart temperature-tuned devices such as the Lamb wave filter or sensor.

Entanglement of a laser-driven pair of two-level qubits via its phonon environment

NASA Astrophysics Data System (ADS)

Cecoi, Elena; Ciornea, Viorel; Isar, Aurelian; Macovei, Mihai A.

2018-05-01

The entanglement dynamics of a laser-pumped two-level quantum dot pair is investigated in the steady-state. The closely spaced two-level emitters, embedded in a semiconductor substrate, interact with both the environmental vacuum modes of the electromagnetic field reservoir as well as with the lattice vibrational phonon thermostat. We have found that the entanglement among the pair's components is substantially enhanced due to presence of the phonon subsystem. The reason is phonon induced decay among the symmetrical and antisymmetrical two-qubit collective states and, consequently, the population of the latter one. This also means that through thermal phonon bath engineering one can access the subradiant two-particle cooperative state.

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.

Impurity and phonon scattering in silicon nanowires

NASA Astrophysics Data System (ADS)

Zhang, W.; Persson, M. P.; Mera, H.; Delerue, C.; Niquet, Y. M.; Allan, G.; Wang, E.

2011-03-01

We model the scattering of electrons by phonons and dopant impurities in ultimate [110]-oriented gate-all-around silicon nanowires with an atomistic valence force field and tight-binding approach. All electron-phonons interactions are included. We show that impurity scattering can reduce with decreasing nanowire diameter due to the enhanced screening by the gate. Donors and acceptors however perform very differently : acceptors behave as tunnel barriers for the electrons, while donors behave as quantum wells which introduce Fano resonances in the conductance. As a consequence the acceptors are much more limiting the mobility than the donors. The resistances of single acceptors are also very dependent on their radial position in the nanowire, which might be a significant source of variability in ultimate silicon nanowire devices. Concerning phonons, we show that, as a result of strong confinement, i) electrons couple to a wide and complex distribution of phonons modes, and ii) the mobility has a non-monotonic variation with wire diameter and is strongly reduced with respect to bulk. French National Research Agency ANR project QUANTAMONDE Contract No. ANR-07-NANO-023-02 and by the Délégation Générale pour l'Armement, French Ministry of Defense under Grant No. 2008.34.0031.

Comparison of junctionless and inversion-mode p-type metal-oxide-semiconductor field-effect transistors in presence of hole-phonon interactions

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

Dib, E., E-mail: elias.dib@for.unipi.it; Carrillo-Nuñez, H.; Cavassilas, N.

Junctionless transistors are being considered as one of the alternatives to conventional metal-oxide field-effect transistors. In this work, it is then presented a simulation study of silicon double-gated p-type junctionless transistors compared with its inversion-mode counterpart. The quantum transport problem is solved within the non-equilibrium Green's function formalism, whereas hole-phonon interactions are tackled by means of the self-consistent Born approximation. Our findings show that junctionless transistors should perform as good as a conventional transistor only for ultra-thin channels, with the disadvantage of requiring higher supply voltages in thicker channel configurations.

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.

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

Bragg Coherent Diffractive Imaging of Zinc Oxide Acoustic Phonons at Picosecond Timescales

DOE PAGES

Ulvestad, A.; Cherukara, M. J.; Harder, R.; ...

2017-08-29

Mesoscale thermal transport is of fundamental interest and practical importance in materials such as thermoelectrics. Coherent lattice vibrations (acoustic phonons) govern thermal transport in crystalline solids and are affected by the shape, size, and defect density in nanoscale materials. The advent of hard x-ray free electron lasers (XFELs) capable of producing ultrafast x-ray pulses has significantly impacted the understanding of acoustic phonons by enabling their direct study with x-rays. However, previous studies have reported ensemble-averaged results that cannot distinguish the impact of mesoscale heterogeneity on the phonon dynamics. Here we use Bragg coherent diffractive imaging (BCDI) to resolve the 4Dmore » evolution of the acoustic phonons in a single zinc oxide rod with a spatial resolution of 50 nm and a temporal resolution of 25 picoseconds. We observe homogeneous (lattice breathing/rotation) and inhomogeneous (shear) acoustic phonon modes, which are compared to finite element simulations. We investigate the possibility of changing phonon dynamics by altering the crystal through acid etching. Lastly, we find that the acid heterogeneously dissolves the crystal volume, which will significantly impact the phonon dynamics. In general, our results represent the first step towards understanding the effect of structural properties at the individual crystal level on phonon dynamics.« less

Bragg Coherent Diffractive Imaging of Zinc Oxide Acoustic Phonons at Picosecond Timescales

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

Ulvestad, A.; Cherukara, M. J.; Harder, R.

Mesoscale thermal transport is of fundamental interest and practical importance in materials such as thermoelectrics. Coherent lattice vibrations (acoustic phonons) govern thermal transport in crystalline solids and are affected by the shape, size, and defect density in nanoscale materials. The advent of hard x-ray free electron lasers (XFELs) capable of producing ultrafast x-ray pulses has significantly impacted the understanding of acoustic phonons by enabling their direct study with x-rays. However, previous studies have reported ensemble-averaged results that cannot distinguish the impact of mesoscale heterogeneity on the phonon dynamics. Here we use Bragg coherent diffractive imaging (BCDI) to resolve the 4Dmore » evolution of the acoustic phonons in a single zinc oxide rod with a spatial resolution of 50 nm and a temporal resolution of 25 picoseconds. We observe homogeneous (lattice breathing/rotation) and inhomogeneous (shear) acoustic phonon modes, which are compared to finite element simulations. We investigate the possibility of changing phonon dynamics by altering the crystal through acid etching. Lastly, we find that the acid heterogeneously dissolves the crystal volume, which will significantly impact the phonon dynamics. In general, our results represent the first step towards understanding the effect of structural properties at the individual crystal level on phonon dynamics.« less

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.

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.

Time-varying phononic crystals

NASA Astrophysics Data System (ADS)

Wright, Derek Warren

numbers of scatterers. Also, since both extended methods provide analytic solutions, they may give further insights into the factors that govern the behaviour of time-varying phononic crystals. These extended methods may now be used to design an active phononic crystal that could demonstrate new or enhanced properties.

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.

Weyl points and Fermi arcs in a chiral phononic crystal

NASA Astrophysics Data System (ADS)

Li, Feng; Huang, Xueqin; Lu, Jiuyang; Ma, Jiahong; Liu, Zhengyou

2018-01-01

Topological semimetals are materials whose band structure contains touching points that are topologically nontrivial and can host quasiparticle excitations that behave as Dirac or Weyl fermions. These so-called Weyl points not only exist in electronic systems, but can also be found in artificial periodic structures with classical waves, such as electromagnetic waves in photonic crystals and acoustic waves in phononic crystals. Due to the lack of spin and a difficulty in breaking time-reversal symmetry for sound, however, topological acoustic materials cannot be achieved in the same way as electronic or optical systems. And despite many theoretical predictions, experimentally realizing Weyl points in phononic crystals remains challenging. Here, we experimentally realize Weyl points in a chiral phononic crystal system, and demonstrate surface states associated with the Weyl points that are topological in nature, and can host modes that propagate only in one direction. As with their photonic counterparts, chiral phononic crystals bring topological physics to the macroscopic scale.

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.

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

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.

Phonon anharmonicity in silicon from 100 to 1500 K

DOE PAGES

Kim, D. S.; Smith, Hillary L.; Niedziela, Jennifer L.; ...

2015-01-21

Inelastic neutron scattering was performed on silicon powder to measure the phonon density of states (DOS) from 100 to 1500 K. The mean fractional energy shifts with temperature of the modes weremore » $$\\langle$$Δε i/ε iΔT$$\\rangle$$=₋0.07, giving a mean isobaric Grüneisen parameter of +6.95±0.67, which is significantly different from the isothermal parameter of +0.98. These large effects are beyond the predictions from quasiharmonic models using density functional theory or experimental data, demonstrating large effects from phonon anharmonicity. At 1500 K the anharmonicity contributes 0.15k B/atom to the vibrational entropy, compared to 0.03k B/atom from quasiharmonicity. Lastly, excellent agreement was found between the entropy from phonon DOS measurements and the reference NIST-JANAF thermodynamic entropy from calorimetric measurements.« less

Heavy-impurity resonance, hybridization, and phonon spectral functions in Fe 1-xM xSi, M=Ir,Os

DOE PAGES

Delaire, O.; Al-Qasir, Iyad I.; May, Andrew F.; ...

2015-03-31

The vibrational behavior of heavy substitutional impurities (M=Ir,Os) in Fe 1-xM xSi (x = 0, 0.02, 0.04, 0.1) was investigated with a combination of inelastic neutron scattering (INS), transport measurements, and first-principles simulations. In this paper, our INS measurements on single-crystals mapped the four-dimensional dynamical structure factor, S(Q;E), for several compositions and temperatures. Our results show that both Ir and Os impurities lead to the formation of a weakly dispersive resonance vibrational mode, in the energy range of the acoustic phonon dispersions of the FeSi host. We also show that Ir doping, which introduces free carriers and increases electron-phonon coupling,more » leads to softened interatomic force-constants compared to doping with Os, which is isoelectronic to Fe. We analyze the phonon S(Q,E) from INS through a Green's function model incorporating the phonon self-energy based on first-principles density functional theory (DFT) simulations. Calculations of the quasiparticle spectral functions in the doped system reveal the hybridization between the resonance and the acoustic phonon modes. Finally, our results demonstrate a strong interaction of the host acoustic dispersions with the resonance mode, likely leading to the large observed suppression in lattice thermal conductivity.« less

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)

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.

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

Quantum transport properties of carbon nanotube field-effect transistors with electron-phonon coupling

NASA Astrophysics Data System (ADS)

Ishii, Hiroyuki; Kobayashi, Nobuhiko; Hirose, Kenji

2007-11-01

We investigated the electron-phonon coupling effects on the electronic transport properties of metallic (5,5)- and semiconducting (10,0)-carbon nanotube devices. We calculated the conductance and mobility of the carbon nanotubes with micron-order lengths at room temperature, using the time-dependent wave-packet approach based on the Kubo-Greenwood formula within a tight-binding approximation. We investigated the scattering effects of both longitudinal acoustic and optical phonon modes on the transport properties. The electron-optical phonon coupling decreases the conductance around the Fermi energy for the metallic carbon nanotubes, while the conductance of semiconductor nanotubes is decreased around the band edges by the acoustic phonons. Furthermore, we studied the Schottky-barrier effects on the mobility of the semiconducting carbon nanotube field-effect transistors for various gate voltages. We clarified how the electron mobilities of the devices are changed by the acoustic phonon.

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.

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

Phonon Transport at the Interfaces of Vertically Stacked Graphene and Hexagonal Boron Nitride Heterostructures

DOE PAGES

Yan, Zhequan; Chen, Liang; Yoon, Mina; ...

2016-01-12

Hexagonal boron nitride (h-BN) is a substrate for graphene based nano-electronic devices. We investigate the ballistic phonon transport at the interface of vertically stacked graphene and h-BN heterostructures using first principles density functional theory and atomistic Green's function simulations considering the influence of lattice stacking. We compute the frequency and wave-vector dependent transmission function and observe distinct stacking-dependent phonon transmission features for the h-BN/graphene/h-BN sandwiched systems. We find that the in-plane acoustic modes have the dominant contributions to the phonon transmission and thermal boundary conductance (TBC) for the interfaces with the carbon atom located directly on top of the boronmore » atom (C–B matched) because of low interfacial spacing. The low interfacial spacing is a consequence of the differences in the effective atomic volume of N and B and the difference in the local electron density around N and B. For the structures with the carbon atom directly on top of the nitrogen atom (C–N matched), the spatial distance increases and the contribution of in-plane modes to the TBC decreases leading to higher contributions by out-of-plane acoustic modes. We find that the C–B matched interfaces have stronger phonon–phonon coupling than the C–N matched interfaces, which results in significantly higher TBC (more than 50%) in the C–B matched interface. The findings in this study will provide insights to understand the mechanism of phonon transport at h-BN/graphene/h-BN interfaces, to better explain the experimental observations and to engineer these interfaces to enhance heat dissipation in graphene based electronic devices.« less

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.

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

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.

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

Pressure dependence of transverse acoustic phonon energy in ferropericlase across the spin transition.

PubMed

Fukui, Hiroshi; Baron, Alfred Q R; Ishikawa, Daisuke; Uchiyama, Hiroshi; Ohishi, Yasuo; Tsuchiya, Taku; Kobayashi, Hisao; Matsuzaki, Takuya; Yoshino, Takashi; Katsura, Tomoo

2017-06-21

We investigated transverse acoustic (TA) phonons in iron-bearing magnesium oxide (ferropericlase) up to 56 GPa using inelastic x-ray scattering (IXS). The results show that the energy of the TA phonon far from the Brillouin zone center suddenly increases with increasing pressure above the spin transition pressure of ferropericlase. Ab initio calculations revealed that the TA phonon energy far from the Brillouin zone center is higher in the low-spin state than in the high spin state; that the TA phonon energy depend weakly on pressure; and that the energy gap between the TA and the lowest-energy-optic phonons is much narrower in the low-spin state than in the high-spin state. This allows us to conclude that the anomalous behavior of the TA mode in the present experiments is the result of gap narrowing due to the spin transition and explains contradictory results in previous experimental studies.

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

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

Effects of substitution, pressure, and temperature on the phonon mode in layered-rocksalt-type Li{sub (1−x)/2}Ga{sub (1−x)/2}Zn{sub x}O (x = 0.036–0.515) alloys

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

Tan, Lijie; Hu, Qiwei; Lei, Li, E-mail: lei@scu.edu.cn

2015-11-14

ZnO-based semiconductor alloys, Li{sub (1−x)/2}Ga{sub (1−x)/2}Zn{sub x}O (x = 0.036–0.515) with a layered-rocksalt-type structure, have been prepared under high pressure. The composition, pressure, and temperature dependence of phonons have been studied by Raman spectroscopy. We observe two disorder-activated Raman (DAR) modes when the Zn composition x increases: a broad Raman peak at ca. 400 cm{sup −1} and a left-shoulder peak at ca. 530 cm{sup −1} on the low-frequency side of A{sub 1g} mode at ca. 580 cm{sup −1}, which can be explained by reference to the phonon density of states for rocksalt-type ZnO. With the increase of the pressure and temperature, the left-shoulder DAR modemore » induced by substitution does not change at the same pace with the A{sub 1g} mode at Brillouin-zone center. We find that ion substitution can be seen as a kind of chemical pressure, and the chemical pressure caused by internal substitution and the physical pressure caused by external compression have equivalent effects on the shortening of correlation length, the distortion of crystal lattice, and the change of atomic occupation.« less

Optical phonons in nanostructured thin films composed by zincblende zinc selenide quantum dots in strong size-quantization regime: Competition between phonon confinement and strain-related effects

NASA Astrophysics Data System (ADS)

Pejova, Biljana

2014-05-01

Raman scattering in combination with optical spectroscopy and structural studies by X-ray diffraction was employed to investigate the phonon confinement and strain-induced effects in 3D assemblies of variable-size zincblende ZnSe quantum dots close packed in thin film form. Nanostructured thin films were synthesized by colloidal chemical approach, while tuning of the nanocrystal size was enabled by post-deposition thermal annealing treatment. In-depth insights into the factors governing the observed trends of the position and half-width of the 1LO band as a function of the average QD size were gained. The overall shifts in the position of 1LO band were found to result from an intricate compromise between the influence of phonon confinement and lattice strain-induced effects. Both contributions were quantitatively and exactly modeled. Accurate assignments of the bands due to surface optical (SO) modes as well as of the theoretically forbidden transverse optical (TO) modes were provided, on the basis of reliable physical models (such as the dielectric continuum model of Ruppin and Englman). The size-dependence of the ratio of intensities of the TO and LO modes was studied and discussed as well. Relaxation time characterizing the phonon decay processes in as-deposited samples was found to be approximately 0.38 ps, while upon post-deposition annealing already at 200 °C it increases to about 0.50 ps. Both of these values are, however, significantly smaller than those characteristic for a macrocrystalline ZnSe sample.

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

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

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

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.

Control of Electronic Structures and Phonon Dynamics in Quantum Dot Superlattices by Manipulation of Interior Nanospace.

PubMed

Chang, I-Ya; Kim, DaeGwi; Hyeon-Deuk, Kim

2016-07-20

Quantum dot (QD) superlattices, periodically ordered array structures of QDs, are expected to provide novel photo-optical functions due to their resonant couplings between adjacent QDs. Here, we computationally demonstrated that electronic structures and phonon dynamics of a QD superlattice can be effectively and selectively controlled by manipulating its interior nanospace, where quantum resonance between neighboring QDs appears, rather than by changing component QD size, shape, compositions, etc. A simple H-passivated Si QD was examined to constitute one-, two-, and three-dimensional QD superlattices, and thermally fluctuating band energies and phonon modes were simulated by finite-temperature ab initio molecular dynamics (MD) simulations. The QD superlattice exhibited a decrease in the band gap energy enhanced by thermal modulations and also exhibited selective extraction of charge carriers out of the component QD, indicating its advantage as a promising platform for implementation in solar cells. Our dynamical phonon analyses based on the ab initio MD simulations revealed that THz-frequency phonon modes were created by an inter-QD crystalline lattice formed in the QD superlattice, which can contribute to low energy thermoelectric conversion and will be useful for direct observation of the dimension-dependent superlattice. Further, we found that crystalline and ligand-originated phonon modes inside each component QD can be independently controlled by asymmetry of the superlattice and by restriction of the interior nanospace, respectively. Taking into account the thermal effects at the finite temperature, we proposed guiding principles for designing efficient and space-saving QD superlattices to develop functional photovoltaic and thermoelectric devices.

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.

The properties of optimal two-dimensional phononic crystals with different material contrasts

NASA Astrophysics Data System (ADS)

Liu, Zong-Fa; Wu, Bin; He, Cun-Fu

2016-09-01

By modifying the spatial distribution of constituent material phases, phononic crystals (PnCs) can be designed to exhibit band gaps within which sound and vibration cannot propagate. In this paper, the developed topology optimization method (TOM), based on genetic algorithms (GAs) and the finite element method (FEM), is proposed to design two-dimensional (2D) solid PnC structures composed of two contrasting elastic materials. The PnCs have the lowest order band gap that is the third band gap for the coupled mode, the first band gap for the shear mode or the XY 34 Z band gap for the mixed mode. Moreover, the effects of the ratios of contrasting material properties on the optimal layout of unit cells and the corresponding phononic band gaps (PBGs) are investigated. The results indicate that the topology of the optimal PnCs and corresponding band gaps varies with the change of material contrasts. The law can be used for the rapid design of desired PnC structures.

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.

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.

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.

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.

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.

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

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.

Role of phonons in the metal-insulator phase transition.

NASA Technical Reports Server (NTRS)

Langer, W. D.

1972-01-01

Review, for the transition series oxides, of the Mattis and Lander model, which is one of electrons interacting with lattice vibrations (electron and phonon interaction). The model displays superconducting, insulating, and metallic phases. Its basic properties evolve from a finite crystallographic distortion associated with a dominant phonon mode and the splitting of the Brillouin zone into two subzones, a property of simple cubic and body centered cubic lattices. The order of the metal-insulator phase transition is examined. The basic model has a second-order phase transition and the effects of additional mechanisms on the model are calculated. The way in which these mechanisms affect the magnetically ordered transition series oxides as described by the Hubbard model is discussed.

Anomalous phonon behavior in superconducting CaKFe 4 As 4 : An optical study

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

Yang, Run; Dai, Yaomin; Xu, Bing

Here, the temperature dependence of ab-plane optical conductivity of CaKFe 4As 4 has been measured below and above its superconducting transition temperature T c≃35.5 K. In the normal state, analysis with the two-Drude model reveals a T-linear scattering rate for the coherent response, which suggests strong spin-fluctuation scattering. Below the superconducting transition, the optical conductivity below 120 cm –1 vanishes, indicating nodeless gap(s). The Mattis-Bardeen fitting in the superconducting state gives two gaps of Δ 1 ≃ 9 meV and Δ 2 ≃ 14 meV, in good agreement with recent angle-resolved photoemission spectroscopy (ARPES) results. In addition, around 255 cmmore » –1, we observe two different infrared-active Fe-As modes with obvious asymmetric lineshape, originating from strong coupling between lattice vibrations and spin or charge excitations. Considering a moderate Hund's rule coupling determined from spectral weight analysis, we propose that the strong fluctuations induced by the coupling between itinerant carriers and local moments may affect the phonon mode, and the electron-phonon coupling through the spin channel is likely to play an important role in the unconventional pairing in iron-based superconductors.« less

Anomalous phonon behavior in superconducting CaKFe 4 As 4 : An optical study

DOE PAGES

Yang, Run; Dai, Yaomin; Xu, Bing; ...

2017-02-08

Here, the temperature dependence of ab-plane optical conductivity of CaKFe 4As 4 has been measured below and above its superconducting transition temperature T c≃35.5 K. In the normal state, analysis with the two-Drude model reveals a T-linear scattering rate for the coherent response, which suggests strong spin-fluctuation scattering. Below the superconducting transition, the optical conductivity below 120 cm –1 vanishes, indicating nodeless gap(s). The Mattis-Bardeen fitting in the superconducting state gives two gaps of Δ 1 ≃ 9 meV and Δ 2 ≃ 14 meV, in good agreement with recent angle-resolved photoemission spectroscopy (ARPES) results. In addition, around 255 cmmore » –1, we observe two different infrared-active Fe-As modes with obvious asymmetric lineshape, originating from strong coupling between lattice vibrations and spin or charge excitations. Considering a moderate Hund's rule coupling determined from spectral weight analysis, we propose that the strong fluctuations induced by the coupling between itinerant carriers and local moments may affect the phonon mode, and the electron-phonon coupling through the spin channel is likely to play an important role in the unconventional pairing in iron-based superconductors.« less

Anisotropy and phonon modes from analysis of the dielectric function tensor and the inverse dielectric function tensor of monoclinic yttrium orthosilicate

NASA Astrophysics Data System (ADS)

Mock, A.; Korlacki, R.; Knight, S.; Schubert, M.

2018-04-01

We determine the frequency dependence of the four independent Cartesian tensor elements of the dielectric function for monoclinic symmetry Y2SiO5 using generalized spectroscopic ellipsometry from 40-1200 cm-1. Three different crystal cuts, each perpendicular to a principle axis, are investigated. We apply our recently described augmentation of lattice anharmonicity onto the eigendielectric displacement vector summation approach [A. Mock et al., Phys. Rev. B 95, 165202 (2017), 10.1103/PhysRevB.95.165202], and we present and demonstrate the application of an eigendielectric displacement loss vector summation approach with anharmonic broadening. We obtain an excellent match between all measured and model-calculated dielectric function tensor elements and all dielectric loss function tensor elements. We obtain 23 Au and 22 Bu symmetry long-wavelength active transverse and longitudinal optical mode parameters including their eigenvector orientation within the monoclinic lattice. We perform density functional theory calculations and obtain 23 Au symmetry and 22 Bu transverse and longitudinal optical mode parameters and their orientation within the monoclinic lattice. We compare our results from ellipsometry and density functional theory and find excellent agreement. We also determine the static and above reststrahlen spectral range dielectric tensor values and find a recently derived generalization of the Lyddane-Sachs-Teller relation for polar phonons in monoclinic symmetry materials satisfied [M. Schubert, Phys Rev. Lett. 117, 215502 (2016), 10.1103/PhysRevLett.117.215502].

Generalized thermoelastic wave band gaps in phononic crystals without energy dissipation

NASA Astrophysics Data System (ADS)

Wu, Ying; Yu, Kaiping; Li, Xiao; Zhou, Haotian

2016-01-01

We present a theoretical investigation of the thermoelastic wave propagation in the phononic crystals in the context of Green-Nagdhi theory by taking thermoelastic coupling into account. The thermal field is assumed to be steady. Thermoelastic wave band structures of 3D and 2D are derived by using the plane wave expansion method. For the 2D problem, the anti-plane shear mode is not affected by the temperature difference. Thermoelastic wave bands of the in-plane x-y mode are calculated for lead/silicone rubber, aluminium/silicone rubber, and aurum/silicone rubber phononic crystals. The new findings in the numerical results indicate that the thermoelastic wave bands are composed of the pure elastic wave bands and the thermal wave bands, and that the thermal wave bands can serve as the low boundary of the first band gap when the filling ratio is low. In addition, for the lead/silicone rubber phononic crystals the effects of lattice type (square, rectangle, regular triangle, and hexagon) and inclusion shape (circle, oval, and square) on the normalized thermoelastic bandwidth and the upper/lower gap boundaries are analysed and discussed. It is concluded that their effects on the thermoelastic wave band structure are remarkable.

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 .

Hot electron energy relaxation in lattice-matched InAlN/AlN/GaN heterostructures: The sum rules for electron-phonon interactions and hot-phonon effect

NASA Astrophysics Data System (ADS)

Zhang, J.-Z.; Dyson, A.; Ridley, B. K.

2015-01-01

Using the dielectric continuum (DC) and three-dimensional phonon (3DP) models, energy relaxation (ER) of the hot electrons in the quasi-two-dimensional channel of lattice-matched InAlN/AlN/GaN heterostructures is studied theoretically, taking into account non-equilibrium polar optical phonons, electron degeneracy, and screening from the mobile electrons. The electron power dissipation (PD) and ER time due to both half-space and interface phonons are calculated as functions of the electron temperature Te using a variety of phonon lifetime values from experiment, and then compared with those evaluated by the 3DP model. Thereby, particular attention is paid to examination of the 3DP model to use for the hot-electron relaxation study. The 3DP model yields very close results to the DC model: With no hot phonons or screening, the power loss calculated from the 3DP model is 5% smaller than the DC power dissipation, whereas slightly larger 3DP power loss (by less than 4% with a phonon lifetime from 0.1 to 1 ps) is obtained throughout the electron temperature range from room temperature to 2500 K after including both the hot-phonon effect (HPE) and screening. Very close results are obtained also for ER time with the two phonon models (within a 5% of deviation). However, the 3DP model is found to underestimate the HPE by 9%. The Mori-Ando sum rule is restored by which it is proved that the PD values obtained from the DC and 3DP models are in general different in the spontaneous phonon emission process, except when scattering with interface phonons is sufficiently weak, or when the degenerate modes condition is imposed, which is also consistent with Register's scattering rate sum rule. The discrepancy between the DC and 3DP results is found to be caused by how much the high-energy interface phonons contribute to the ER: their contribution is enhanced in the spontaneous emission process but is dramatically reduced after including the HPE. Our calculation with both phonon

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.

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.

Magnetic moments induce strong phonon renormalization in FeSi.

PubMed

Krannich, S; Sidis, Y; Lamago, D; Heid, R; Mignot, J-M; Löhneysen, H v; Ivanov, A; Steffens, P; Keller, T; Wang, L; Goering, E; Weber, F

2015-11-27

The interactions of electronic, spin and lattice degrees of freedom in solids result in complex phase diagrams, new emergent phenomena and technical applications. While electron-phonon coupling is well understood, and interactions between spin and electronic excitations are intensely investigated, only little is known about the dynamic interactions between spin and lattice excitations. Noncentrosymmetric FeSi is known to undergo with increasing temperature a crossover from insulating to metallic behaviour with concomitant magnetic fluctuations, and exhibits strongly temperature-dependent phonon energies. Here we show by detailed inelastic neutron-scattering measurements and ab initio calculations that the phonon renormalization in FeSi is linked to its unconventional magnetic properties. Electronic states mediating conventional electron-phonon coupling are only activated in the presence of strong magnetic fluctuations. Furthermore, phonons entailing strongly varying Fe-Fe distances are damped via dynamic coupling to the temperature-induced magnetic moments, highlighting FeSi as a material with direct spin-phonon coupling and multiple interaction paths.

Three-mode coupling interference patterns in the dynamic structure factor of a relaxor ferroelectric

DOE PAGES

Manley, M. E.; Abernathy, D. L.; Sahul, R.; ...

2016-09-22

A long-standing controversy for relaxor ferroelectrics has been the origin of the waterfall effect in the phonon dispersion curves, in which low-energy transverse phonons cascade into vertical columns. Originally interpreted as phonons interacting with polar nanoregions (PNRs), it was later explained as an interference effect of coupling damped optic and acoustic phonons. In light of a recently discovered PNR vibrational mode near the waterfall wavevector [M. E. Manley, J. W. Lynn, D. L. Abernathy, E. D. Specht, O. Delaire, A. R. Bishop, R. Sahul, and J. D. Budai, Nat. Commun. 5, 3683 (2014)] we have reexamined this feature using neutronmore » scattering on [100]-poled PMN-30%PT (0.6Pb(Mg 1/3Nb 2/3)O 3 0.3PbTiO 3). In addition, we find that the PNR mode couples to both optic and acoustic phonons, and that this results in complex patterns in the dynamic structure factor, including intensity pockets and peaks localized in momentum-energy space. These features are fully explained by extending the mode-coupling model to include three coupled damped harmonic oscillators representing the transverse optic, acoustic, and PNR modes.« less

Three-mode coupling interference patterns in the dynamic structure factor of a relaxor ferroelectric

NASA Astrophysics Data System (ADS)

Manley, M. E.; Abernathy, D. L.; Sahul, R.; Stonaha, P. J.; Budai, J. D.

2016-09-01

A longstanding controversy for relaxor ferroelectrics has been the origin of the "waterfall" effect in the phonon dispersion curves, in which low-energy transverse phonons cascade into vertical columns. Originally interpreted as phonons interacting with polar nanoregions (PNRs), it was later explained as an interference effect of coupling damped optic and acoustic phonons. In light of a recently discovered PNR vibrational mode near the "waterfall" wave vector [M. E. Manley, J. W. Lynn, D. L. Abernathy, E. D. Specht, O. Delaire, A. R. Bishop, R. Sahul, and J. D. Budai, Nat. Commun. 5, 3683 (2014), 10.1038/ncomms4683], we have reexamined this feature using neutron scattering on [100]-poled PMN-30%PT [0.6 Pb (M g1 /3N b2 /3 ) O3-0.3 PbTi O3] . We find that the PNR mode couples to both optic and acoustic phonons and that this results in complex patterns in the dynamic structure factor, including intensity pockets and peaks localized in momentum-energy space. These features are fully explained by extending the mode-coupling model to include three coupled damped harmonic oscillators representing the transverse optic, acoustic, and PNR modes.

Ab initio calculation of electron–phonon coupling in monoclinic β-Ga{sub 2}O{sub 3} crystal

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

Ghosh, Krishnendu, E-mail: kghosh3@buffalo.edu; Singisetti, Uttam, E-mail: uttamsin@buffalo.edu

2016-08-15

The interaction between electrons and vibrational modes in monoclinic β-Ga{sub 2}O{sub 3} is theoretically investigated using ab-initio calculations. The large primitive cell of β-Ga{sub 2}O{sub 3} gives rise to 30 phonon modes all of which are taken into account in transport calculation. The electron-phonon interaction is calculated under density functional perturbation theory and then interpolated using Wannier–Fourier interpolation. The long-range interaction elements between electrons and polar optical phonon (POP) modes are calculated separately using the Born effective charge tensor. The direction dependence of the long-range POP coupling in a monoclinic crystal is explored and is included in the transport calculations.more » Scattering rate calculations are done using the Fermi golden rule followed by solving the Boltzmann transport equation using the Rode's method to estimate low field mobility. A room temperature mobility of 115 cm{sup 2}/V s is observed. Comparison with recent experimentally reported mobility is done for a wide range of temperatures (30 K–650 K). It is also found that the POP interaction dominates the electron mobility under low electric field conditions. The relative contribution of the different POP modes is analyzed and the mode 21 meV POP is found to have the highest impact on low field electron mobility at room temperature.« less

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.

Coherent generation of symmetry-forbidden phonons by light-induced electron-phonon interactions in magnetite

NASA Astrophysics Data System (ADS)

Borroni, S.; Baldini, E.; Katukuri, V. M.; Mann, A.; Parlinski, K.; Legut, D.; Arrell, C.; van Mourik, F.; Teyssier, J.; Kozlowski, A.; Piekarz, P.; Yazyev, O. V.; Oleś, A. M.; Lorenzana, J.; Carbone, F.

2017-09-01

Symmetry breaking across phase transitions often causes changes in selection rules and emergence of optical modes which can be detected via spectroscopic techniques or generated coherently in pump-probe experiments. In second-order or weakly first-order transitions, fluctuations of the ordering field are present above the ordering temperature, giving rise to intriguing precursor phenomena, such as critical opalescence. Here, we demonstrate that in magnetite (Fe3O4 ) light excitation couples to the critical fluctuations of the charge order and coherently generates structural modes of the ordered phase above the critical temperature of the Verwey transition. Our findings are obtained by detecting coherent oscillations of the optical constants through ultrafast broadband spectroscopy and analyzing their dependence on temperature. To unveil the coupling between the structural modes and the electronic excitations, at the origin of the Verwey transition, we combine our results from pump-probe experiments with spontaneous Raman scattering data and theoretical calculations of both the phonon dispersion curves and the optical constants. Our methodology represents an effective tool to study the real-time dynamics of critical fluctuations across phase transitions.

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.

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.

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

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.

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

Velocity renormalization in graphene: The role of trigonal warping and electron-phonon coupling effects

NASA Astrophysics Data System (ADS)

Kandemir, B. S.; Gökçek, N.

2017-12-01

We investigate the combined effects of trigonal warping and electron-phonon interactions on the renormalization of the Fermi velocity in graphene. We present an analytical solution to the associated Fröhlich Hamiltonian describing the interaction of doubly degenerate-optical phonon modes of graphene with electrons in the presence of trigonal warp within the framework of Lee-Low-Pines theory. On the basis of our model, it is analytically shown that in addition to its renormalization, Fermi velocity exhibits strong anisotropy due to the trigonal warping. It is also found that in the regime where the trigonal warp starts, distortion of energy bands emerges due to electron-phonon coupling, and the bands exhibit strong anisotropy.

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.

Tunneling current noise spectra of biased impurity with a phonon mode

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

Maslova, N. S.; Arseev, P. I.; Mantsevich, V. N., E-mail: vmantsev@gmail.com

We report the results of theoretical investigations of the tunneling current noise spectra through a single-level impurity both in the presence and in the absence of electron–phonon interaction based on the nonequilibrium Green’s functions formalism. We show that due to the quantum nature of tunneling, the Fano factor is dramatically different from the Poisson limit both in the presence and in the absence of inelastic processes. The results are demonstrated to be sensitive to the tunneling contact parameters.

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.

Superconductivity and hybrid soft modes in Ti Se 2

DOE PAGES

Maschek, M.; Rosenkranz, S.; Hott, R.; ...

2016-12-12

The interplay between superconductivity and charge-density-wave (CDW) order plays a central role in the layered transition-metal dichalcogenides. 1 T-TiSe 2 forms a prime example, featuring superconducting domes on intercalation as well as under applied pressure. Here, we present high energy-resolution inelastic x-ray scattering measurements of the CDW soft phonon mode in intercalated Cu xTiSe 2 and pressurized 1 T-TiSe 2 along with detailed ab-initio calculations for the lattice dynamical properties and phonon-mediated superconductivity. We find that the intercalation-induced superconductivity can be explained by a solely phonon-mediated pairing mechanism, while this is not possible for the superconducting phase under pressure. Wemore » argue that a hybridization of phonon and exciton modes in the pairing mechanism is necessary to explain the full observed temperature-pressure-intercalation phase diagram. Finally, these results indicate that 1 T-TiSe 2 under pressure is close to the elusive state of the excitonic insulator.« less

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.

Finite size effect on the magnetic excitations spectra, phonons and heat conduction of the quasi- one-dimensional spin chains system SrCuO2

NASA Astrophysics Data System (ADS)

Bounoua, Dalila; Saint-Martin, Romuald; Petit, Sylvain; Bourdarot, Frédéric; Pinsard-Gaudart, Loreynne

2018-05-01

We report inelastic neutron scattering measurements of the phonons modes, in the one-dimensional half integer spin chains cuprate SrCuO2. We study the longitudinal and the transverse modes propagating in the direction of the chains, along Q (0 0 L) and Q (2 0 L), respectively. On the other hand, we investigate the effect of substitution by impurities in the corresponding doped compounds, namely, SrCu0.99M0.01O2 with M=Mg or Zn, and La0.01Sr0.99CuO2. Our results evidence a systematic strong spinon-phonon interaction leading to an important decrease of the phonon scattered intensity as well as a decrease of the group velocity of the transverse acoustic modes upon substitution, and a shift of the transverse optical B3 u mode in the La-doped SrCuO2, in terms of energy.

Lamb wave band gaps in a double-sided phononic plate

NASA Astrophysics Data System (ADS)

Wang, Peng; Chen, Tian-Ning; Yu, Kun-Peng; Wang, Xiao-Peng

2013-02-01

In this paper, we report on the theoretical investigation of the propagation characteristics of Lamb wave in a phononic crystal structure constituted by a square array of cylindrical stubs deposited on both sides of a thin homogeneous plate. The dispersion relations, the power transmission spectra, and the displacement fields of the eigenmodes are studied by using the finite-element method. We investigate the evolution of band gaps in the double-sided phononic plate with stub height on both sides arranged from an asymmetrical distribution to a symmetrical distribution gradually. Numerical results show that as the double stubs in a unit cell arranged more symmetrically on both sides, band width shifts, new band gaps appear, and the bands become flat due to localized resonant modes which couple with plate modes. Specially, more band gaps and flat bands can be found in the symmetrical system as a result of local resonances of the stubs which interact in a stronger way with the plate modes. Moreover, the symmetrical double-sided plate exhibits lower and smaller band gap than that of the asymmetrical plate. These propagation properties of elastic or acoustic waves in the double-sided plate can potentially be utilized to generate filters, slow the group velocity, low-frequency sound insulation, and design acoustic sensors.

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.

Localization of phonons in mass-disordered alloys: A typical medium dynamical cluster approach

DOE PAGES

Jarrell, Mark; Moreno, Juana; Raja Mondal, Wasim; ...

2017-07-20

The effect of disorder on lattice vibrational modes has been a topic of interest for several decades. In this article, we employ a Green's function based approach, namely, the dynamical cluster approximation (DCA), to investigate phonons in mass-disordered systems. Detailed benchmarks with previous exact calculations are used to validate the method in a wide parameter space. An extension of the method, namely, the typical medium DCA (TMDCA), is used to study Anderson localization of phonons in three dimensions. We show that, for binary isotopic disorder, lighter impurities induce localized modes beyond the bandwidth of the host system, while heavier impuritiesmore » lead to a partial localization of the low-frequency acoustic modes. For a uniform (box) distribution of masses, the physical spectrum is shown to develop long tails comprising mostly localized modes. The mobility edge separating extended and localized modes, obtained through the TMDCA, agrees well with results from the transfer matrix method. A reentrance behavior of the mobility edge with increasing disorder is found that is similar to, but somewhat more pronounced than, the behavior in disordered electronic systems. Our work establishes a computational approach, which recovers the thermodynamic limit, is versatile and computationally inexpensive, to investigate lattice vibrations in disordered lattice systems.« less

Localization of phonons in mass-disordered alloys: A typical medium dynamical cluster approach

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

Jarrell, Mark; Moreno, Juana; Raja Mondal, Wasim

The effect of disorder on lattice vibrational modes has been a topic of interest for several decades. In this article, we employ a Green's function based approach, namely, the dynamical cluster approximation (DCA), to investigate phonons in mass-disordered systems. Detailed benchmarks with previous exact calculations are used to validate the method in a wide parameter space. An extension of the method, namely, the typical medium DCA (TMDCA), is used to study Anderson localization of phonons in three dimensions. We show that, for binary isotopic disorder, lighter impurities induce localized modes beyond the bandwidth of the host system, while heavier impuritiesmore » lead to a partial localization of the low-frequency acoustic modes. For a uniform (box) distribution of masses, the physical spectrum is shown to develop long tails comprising mostly localized modes. The mobility edge separating extended and localized modes, obtained through the TMDCA, agrees well with results from the transfer matrix method. A reentrance behavior of the mobility edge with increasing disorder is found that is similar to, but somewhat more pronounced than, the behavior in disordered electronic systems. Our work establishes a computational approach, which recovers the thermodynamic limit, is versatile and computationally inexpensive, to investigate lattice vibrations in disordered lattice systems.« less

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.

Quantum Regime of a Two-Dimensional Phonon Cavity

NASA Astrophysics Data System (ADS)

Bolgar, Aleksey N.; Zotova, Julia I.; Kirichenko, Daniil D.; Besedin, Ilia S.; Semenov, Aleksander V.; Shaikhaidarov, Rais S.; Astafiev, Oleg V.

2018-06-01

We realize the quantum regime of a surface acoustic wave (SAW) resonator by demonstrating vacuum Rabi mode splitting due to interaction with a superconducting artificial atom. Reaching the quantum regime is physically difficult and technologically challenging since SAW devices consist of large arrays of narrow metal strips. This work paves the way for realizing analogues of quantum optical phenomena with phonons and can be useful in on-chip quantum electronics.

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.

Effects of strain on phonon interactions and phase nucleation in several semiconductor and nano particle systems

NASA Astrophysics Data System (ADS)

Tallman, Robert E.

Raman scattering is utilized to explore the effects of applied pressure and strain on anharmonic phonon interactions and nucleation of structural transitions in several bulk and nanoparticle semiconductor systems. The systems investigated are bulk ZnS and ZnSe in several isotopic compositions, InP/CdS core/shell nanoparticles exhibiting confined and surface optical Raman modes, and amorphous selenium films undergoing photo-induced crystallization. The anharmonic decay of long-wavelength optical modes into two-phonon acoustic combinations modes is studied in 64Zn32S, 64Zn34S, natZnatS bulk crystals by measuring the TO(Gamma) Raman line-shape as a function of applied hydrostatic pressure. The experiments are carried out at room temperature and 16K for pressures up to 150 kbars using diamond-anvil cells. The most striking effects occur in 68Zn32S where the TO(Gamma) peak narrows by a factor of 10 and increases in intensity at pressures for which the TO(Gamma) frequency has been tuned into a gap in the two-phonon density of states (DOS). In all the isotopic compositions, the observed phonon decay processes can be adequately explained by a second order perturbation treatment of the anharmonic coupling between TO(Gamma) and TA + LA combinations at various critical points, combined with an adiabatic bond-charge model for the phonon DOS and the known mode Gruneisen parameters. Bulk ZnSe crystals exhibit very different behavior. Here we find that anharmonic decay alone can not explain the excessive (˜ 60 cm-1 ) broadening in the TO(Gamma) Raman peak observed as the pressure approaches to within 50kbar of the ZB -> B1 phase transition (at P ˜ 137 kbar). Rather the broadening appears to arise from antecedent nucleation of structural changes within nanoscopic domains, with the mechanism for line-shape changes being mode mixing via localization and disorder instead of anharmonicity. To sort out these contributions, pressure experiments on natural ZnSe and on isotopically pure

All-angle negative refraction of highly squeezed plasmon and phonon polaritons in graphene-boron nitride heterostructures.

PubMed

Lin, Xiao; Yang, Yi; Rivera, Nicholas; López, Josué J; Shen, Yichen; Kaminer, Ido; Chen, Hongsheng; Zhang, Baile; Joannopoulos, John D; Soljačić, Marin

2017-06-27

A fundamental building block for nanophotonics is the ability to achieve negative refraction of polaritons, because this could enable the demonstration of many unique nanoscale applications such as deep-subwavelength imaging, superlens, and novel guiding. However, to achieve negative refraction of highly squeezed polaritons, such as plasmon polaritons in graphene and phonon polaritons in boron nitride (BN) with their wavelengths squeezed by a factor over 100, requires the ability to flip the sign of their group velocity at will, which is challenging. Here we reveal that the strong coupling between plasmon and phonon polaritons in graphene-BN heterostructures can be used to flip the sign of the group velocity of the resulting hybrid (plasmon-phonon-polariton) modes. We predict all-angle negative refraction between plasmon and phonon polaritons and, even more surprisingly, between hybrid graphene plasmons and between hybrid phonon polaritons. Graphene-BN heterostructures thus provide a versatile platform for the design of nanometasurfaces and nanoimaging elements.

Weak coupling of pseudoacoustic phonons and magnon dynamics in the incommensurate spin-ladder compound S r 14 C u 24 O 41

DOE PAGES

Chen, Xi; Bansal, Dipanshu; Sullivan, Sean; ...

2016-10-21

Intriguing lattice dynamics have been predicted for aperiodic crystals that contain incommensurate substructures. Here we report inelastic neutron scattering measurements of phonon and magnon dispersions in Sr 14Cu 24O 41, which contains incommensurate one-dimensional (1D) chain and two-dimensional (2D) ladder substructures. Two distinct pseudoacoustic phonon modes, corresponding to the sliding motion of one sublattice against the other, are observed for atomic motions polarized along the incommensurate axis. In the long wavelength limit, it is found that the sliding mode shows a remarkably small energy gap of 1.7–1.9 meV, indicating very weak interactions between the two incommensurate sublattices. The measurements alsomore » reveal a gapped and steep linear magnon dispersion of the ladder sublattice. The high group velocity of this magnon branch and weak coupling with acoustic and pseudoacoustic phonons can explain the large magnon thermal conductivity in Sr 14Cu 24O 41 crystals. In addition, the magnon specific heat is determined from the measured total specific heat and phonon density of states and exhibits a Schottky anomaly due to gapped magnon modes of the spin chains. Furthermore, these findings offer new insights into the phonon and magnon dynamics and thermal transport properties of incommensurate magnetic crystals that contain low-dimensional substructures.« less

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.

SmB6 electron-phonon coupling constant from time- and angle-resolved photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Sterzi, A.; Crepaldi, A.; Cilento, F.; Manzoni, G.; Frantzeskakis, E.; Zacchigna, M.; van Heumen, E.; Huang, Y. K.; Golden, M. S.; Parmigiani, F.

2016-08-01

SmB6 is a mixed valence Kondo system resulting from the hybridization between localized f electrons and delocalized d electrons. We have investigated its out-of-equilibrium electron dynamics by means of time- and angle-resolved photoelectron spectroscopy. The transient electronic population above the Fermi level can be described by a time-dependent Fermi-Dirac distribution. By solving a two-temperature model that well reproduces the relaxation dynamics of the effective electronic temperature, we estimate the electron-phonon coupling constant λ to range from 0.13 ±0.03 to 0.04 ±0.01 . These extremes are obtained assuming a coupling of the electrons with either a phonon mode at 10 or 19 meV. A realistic value of the average phonon energy will give an actual value of λ within this range. Our results provide an experimental report on the material electron-phonon coupling, contributing to both the electronic transport and the macroscopic thermodynamic properties of SmB6.

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.

Exploiting One-Dimensional Exciton-Phonon Coupling for Tunable and Efficient Single-Photon Generation with a Carbon Nanotube.

PubMed

Jeantet, A; Chassagneux, Y; Claude, T; Roussignol, P; Lauret, J S; Reichel, J; Voisin, C

2017-07-12

Condensed-matter emitters offer enriched cavity quantum electrodynamical effects due to the coupling to external degrees of freedom. In the case of carbon nanotubes, a very peculiar coupling between localized excitons and the one-dimensional acoustic phonon modes can be achieved, which gives rise to pronounced phonon wings in the luminescence spectrum. By coupling an individual nanotube to a tunable optical microcavity, we show that this peculiar exciton-phonon coupling is a valuable resource to enlarge the tuning range of the single-photon source while keeping an excellent exciton-photon coupling efficiency and spectral purity. Using the unique flexibility of our scanning fiber cavity, we are able to measure the efficiency spectrum of the very same nanotube in the Purcell regime for several mode volumes. Whereas this efficiency spectrum looks very much like the free-space luminescence spectrum when the Purcell factor is small (large mode volume), we show that the deformation of this spectrum at lower mode volumes can be traced back to the strength of the exciton-photon coupling. It shows an enhanced efficiency on the red wing that arises from the asymmetry of the incoherent energy exchange processes between the exciton and the cavity. This allows us to obtain a tuning range up to several hundred times the spectral width of the source.

Electrical and Electron-Phonon Interactions in Graphene-Based Nanostructures and Aptamer-Based Electrical Sensors

NASA Astrophysics Data System (ADS)

Qian, Jun

This research work contains two main parts: the theoretical study of confined phonon modes and electron states in confined graphene nanostructures; the experimental part including two topics about fabricating a graphene-FET aptamer-sensor for cocaine detection and the study of the electronic transport properties of dsDNA. In the theory part, we study the confined optical phonon modes in graphene nanoribbons (GNR) and rectangular graphene quantum dots (RGQD) by the elastic continuum model. The carrier states are studied by effective mass approximation. The phonon bottleneck effect is expected in general for RGQDs. The scattering rates are calculated for specific RGQDs with carefully chosen dimensions to fulfill the momentum and energy conservation conditions. In the experimental part, we have developed a combined technique of semiconductor processes and molecular biological protocols to fabricate a signal-off graphene-FET aptamer-sensor for cocaine. In addition, DNA transport properties were studied by STM on GNP-dsDNA-Au conjugates in atmospheric condition. The dsDNA-complexes exhibit as a slightly n-type semiconductor by simulated with a Landauer-type model. A geometrical model is proposed to explain the distinct I-V spectra.

Gutzwiller charge phase diagram of cuprates, including electron–phonon coupling effects

DOE PAGES

Markiewicz, R. S.; Seibold, G.; Lorenzana, J.; ...

2015-02-01

Besides significant electronic correlations, high-temperature superconductors also show a strong coupling of electrons to a number of lattice modes. Combined with the experimental detection of electronic inhomogeneities and ordering phenomena in many high-T c compounds, these features raise the question as to what extent phonons are involved in the associated instabilities. Here we address this problem based on the Hubbard model including a coupling to phonons in order to capture several salient features of the phase diagram of hole-doped cuprates. Charge degrees of freedom, which are suppressed by the large Hubbard U near half-filling, are found to become active atmore » a fairly low doping level. We find that possible charge order is mainly driven by Fermi surface nesting, with competition between a near-(π, π) order at low doping and antinodal nesting at higher doping, very similar to the momentum structure of magnetic fluctuations. The resulting nesting vectors are generally consistent with photoemission and tunneling observations, evidence for charge density wave order in YBa₂Cu₃O 7-δ including Kohn anomalies, and suggestions of competition between one- and two-q-vector nesting.« less

Preface: Phonons 2007

NASA Astrophysics Data System (ADS)

Perrin, Bernard

2007-06-01

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

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

Raman investigation of ro-vibrational modes of interstitial H2 in Si

NASA Astrophysics Data System (ADS)

Koch, S. G.; Lavrov, E. V.; Weber, J.

2012-08-01

A Raman scattering study of ro-vibrational transitions Q(J) of the interstitial H2 in Si is presented. It is shown that the Q(2) mode of para hydrogen is coupled to the TAX phonon of Si. The mode appears in the spectra at temperatures above 200 K. The results presented also suggest that the Q(3) transition of ortho hydrogen is resonantly coupled to the OΓ phonon.

Simultaneous localization of photons and phonons in defect-free dodecagonal phoxonic quasicrystals

NASA Astrophysics Data System (ADS)

Xu, Bihang; Wang, Zhong; Tan, Yixiang; Yu, Tianbao

2018-03-01

In dodecagonal phoxonic quasicrytals (PhXQCs) with a very high rotational symmetry, we demonstrate numerically large phoxonic band gaps (PhXBGs, the coexistence of photonic and phononic band gaps). By computing the existence and dependence of PhXBGs on the choice of radius of holes, we find that PhXQCs can possess simultaneous photonic and phononic band gaps over a rather wide range of geometric parameters. Furthermore, localized modes of THz photons and tens of MHz phonons may exist inside and outside band gaps in defect-free PhXQCs. The electromagnetic and elastic field can be confined simultaneously around the quasicrytals center and decay in a length scale of several basic cells. As a kind of quasiperiodic structures, 12-fold PhXQCs provide a good candidate for simultaneously tailoring electromagnetic and elastic waves. Moreover, these structures exhibit some interesting characteristics due to the very high symmetry.

Forbidden phonon: Dynamical signature of bond symmetry breaking in the iron chalcogenides

DOE PAGES

Fobes, David M.; Zaliznyak, Igor A.; Tranquada, John M.; ...

2016-09-01

Investigation of the inelastic neutron scattering spectra in Fe 1+yTe 1₋xSe x near a signature wave vector Q=(1,0,0) for the bond-order wave (BOW) formation of parent compound Fe 1+yTe reveals an acoustic-phonon-like dispersion present in all structural phases. While a structural Bragg peak accompanies the mode in the low-temperature phase of Fe 1+yTe, it is absent in the high-temperature tetragonal phase, where Bragg scattering at this Q is forbidden by symmetry. Notably, this mode is also observed in superconducting FeTe 0.55Se 0.45, where structural and magnetic transitions are suppressed, and no BOW has been observed. Lastly, the presence of thismore » “forbidden” phonon indicates that the lattice symmetry is dynamically or locally broken by magneto-orbital BOW fluctuations, which are strongly coupled to lattice in these materials.« less

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.

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.

Strain mapping in single-layer two-dimensional crystals via Raman activity

NASA Astrophysics Data System (ADS)

Yagmurcukardes, M.; Bacaksiz, C.; Unsal, E.; Akbali, B.; Senger, R. T.; Sahin, H.

2018-03-01

By performing density functional theory-based ab initio calculations, Raman-active phonon modes of single-layer two-dimensional (2D) materials and the effect of in-plane biaxial strain on the peak frequencies and corresponding activities of the Raman-active modes are calculated. Our findings confirm the Raman spectrum of the unstrained 2D crystals and provide expected variations in the Raman-active modes of the crystals under in-plane biaxial strain. The results are summarized as follows: (i) frequencies of the phonon modes soften (harden) under applied tensile (compressive) strains; (ii) the response of the Raman activities to applied strain for the in-plane and out-of-plane vibrational modes have opposite trends, thus, the built-in strains in the materials can be monitored by tracking the relative activities of those modes; (iii) in particular, the A peak in single-layer Si and Ge disappears under a critical tensile strain; (iv) especially in mono- and diatomic single layers, the shift of the peak frequencies is a stronger indication of the strain rather than the change in Raman activities; (v) Raman-active modes of single-layer ReX2 (X =S , Se) are almost irresponsive to the applied strain. Strain-induced modifications in the Raman spectrum of 2D materials in terms of the peak positions and the relative Raman activities of the modes could be a convenient tool for characterization.

Spodumene, α-LiAlSi2O6 - A new natural SRS-active crystal with three χ(3)-promoting vibrational modes

NASA Astrophysics Data System (ADS)

Kaminskii, Alexander A.; Bohatý, Ladislav; Libowitzky, Eugen; Rhee, Hanjo; Lux, Oliver; Eichler, Hans J.; Kleinschrodt, Reiner; Yoneda, Hitoki; Shirakawa, Akira; Becker, Petra

2018-04-01

α-LiAlSi2O6, known as mineral spodumene, is introduced as a novel SRS-active crystal with monoclinic symmetry C2/c. Under picosecond laser excitation Raman-induced steady-state χ(3)-nonlinear generation in the visible and near-IR is observed in the crystals. All recorded Stokes and anti-Stokes high-order lasing components are identified and correspond to three SRS-promoting phonon modes with ωSRS1 ≈ 709 cm-1, ωSRS2 ≈ 357 cm-1 and ωSRS3 ≈ 1074 cm-1. On the basis of the results of a spontaneous Raman scattering study they were assigned to vibrations of the tetrahedral [SiO4] groups of the silicate chains and lattice modes of Li-O or Al-O of the crystal structure. A brief review in tabular form of so far known SRS-active natural crystals (minerals) is given as well.

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

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.

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.

Towards a Quantum Interface between Diamond Spin Qubits and Phonons in an Optical Trap

NASA Astrophysics Data System (ADS)

Ji, Peng; Momeen, M. Ummal; Hsu, Jen-Feng; D'Urso, Brian; Dutt, Gurudev

2014-05-01

We introduce a method to optically levitate a pre-selected nanodiamond crystal in air or vacuum. The nanodiamond containing nitrogen-vacancy (NV) centers is suspended on a monolayer of graphene transferred onto a patterned substrate. Laser light is focused onto the sample, using a home-built confocal microscope with a high numerical aperture (NA = 0.9) objective, simultaneously burning the graphene and creating a 3D optical trap that captures the falling nano-diamond at the beam waist. The trapped diamond is an ultra-high-Q mechanical oscillator, allowing us to engineer strong linear and quadratic coupling between the spin of the NV center and the phonon mode. The system could result in an ideal quantum interface between a spin qubit and vibrational phonon mode, potentially enabling applications in quantum information processing and sensing the development of quantum information storage and processing.

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.

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.

Soft silicone rubber in phononic structures: Correct elastic moduli

NASA Astrophysics Data System (ADS)

Still, Tim; Oudich, M.; Auerhammer, G. K.; Vlassopoulos, D.; Djafari-Rouhani, B.; Fytas, G.; Sheng, P.

2013-09-01

We report on a combination of experiments to determine the elastic moduli of a soft poly (dimethylsiloxane) rubber that was utilized in a smart experiment on resonant phononic modes [Liu , ScienceSCIEAS0036-807510.1126/science.289.5485.1734 289, 1734 (2000)] and whose reported moduli became widely used as a model system in theoretical calculations of phononic materials. We found that the most peculiar hallmark of these values, an extremely low longitudinal sound velocity, is not supported by our experiments. Anyhow, performing theoretical band structure calculations, we can reproduce the surprising experimental findings of Liu even utilizing the correct mechanical parameters. Thus, the physical conclusions derived in the theoretical works do not require the use of an extremely low longitudinal velocity, but can be reproduced assuming only a low value of the shear modulus, in agreement with our experiments.

Operation of Terahertz Quantum-cascade Lasers at 164 K in Pulsed Mode and at 117 K in Continuous-wave Mode

NASA Technical Reports Server (NTRS)

Williams, Benjamin S.; Kumar, Sushil; Hu, Qing; Reno, John L.

2005-01-01

We report the demonstration of a terahertz quantum-cascade laser that operates up to 164 K in pulsed mode and 117 K in continuous-wave mod e at approximately 3.0 THz. The active region was based on a resonant -phonon depopulation scheme and a metal-metal waveguide was used for modal confinement. Copper to copper thermocompression wafer bonding w as used to fabricate the waveguide, which displayed improved thermal properties compared to a previous indium-gold bonding method.

Lattice modes of hexamethylbenzene studied by inelastic neutron scattering

NASA Astrophysics Data System (ADS)

Stride, J. A.; Adams, J. M.; Johnson, M. R.

2005-10-01

The combination of inelastic neutron scattering and detailed ab initio calculations has been used to arrive at accurate assignments of the low energy lattice mode region of hexamethylbenzene (HMB) across the low temperature first order phase transition at 117.5 K. This was also extended well into the mid-infrared spectral region and a good agreement was found between observed and calculated frequencies, which were also confirmed with isotopically substituted d-HMB. At low temperature, the lattice region is dominated by the methyl group torsions around 15 and 20 meV, which soften dramatically on passing into the higher temperature phase. The lowest energy methyl torsion corresponds to a coherent gear wheel motion, observed here for the first time and predicted in previous numerical studies of HMB. The three acoustic phonons lie to lower energy, centered around 6-7 meV, whilst the three optic phonons are very close in energy to the lowest methyl torsions. Other assignments are found to be in accord with literature values and so an unambiguous assignment of all spectral modes has been obtained for the first time. We conclude that due to the behaviour of the lattice modes either side of the phase transition, its nature is predominantly that of a thermally activated dynamic order-disorder transition.

Enhancement of multiple-phonon resonant Raman scattering in Co-doped ZnO nanorods

NASA Astrophysics Data System (ADS)

Phan, The-Long; Vincent, Roger; Cherns, David; Dan, Nguyen Huy; Yu, Seong-Cho

2008-08-01

We have studied Raman scattering in Co-doped ZnO nanorods prepared by thermal diffusion. Experimental results show that the features of their non-resonant spectra are similar to Raman spectra from Co-doped ZnO materials investigated previously. Under resonant conditions, however, there is a strong enhancement of multiple-phonon Raman scattering processes. Longitudinal optical (LO)-phonon overtones up to eleventh order are observed. The modes become more obvious when the Co concentration diffused into ZnO nanorods goes to an appropriate value. This phenomenon is explained due to the shift of the band-gap energy and also due to the decrease in the intensity of near-band-edge luminescence. Our observation is in agreement with the prediction [J. F. Scott, Phys. Rev. B 2, 1209 (1970)] that the number of LO-phonon lines in ZnO is higher than that observed for CdS.

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.

Anisotropic vacancy-mediated phonon mode softening in Sm and Gd doped ceria.

PubMed

Jung, Dong-Hyuk; Lee, Ji-Hwan; Kilic, Mehmet Emin; Soon, Aloysius

2018-04-18

Ceria doped with Sm and Gd (SDC and GDC) has been suggested as a promising candidate for the electrolyte used in solid oxide fuel cells (SOFCs), since it has relatively high oxygen ion conductivity at intermediate temperature. There have been many previous experimental and computational studies to investigate the properties, structure, and effect of vacancies, etc. for SDC and GDC. However, in these previous studies, it is commonly assumed that the interaction between oxygen vacancies is negligible and many focus only on the mono-vacancy system. In addition, the possibility of anisotropic vibrational motion of the oxygen ions around vacancies is often neglected. In this paper, using both first-principle density-functional theory and classical molecular dynamics calculations, we investigate the structural and vibrational properties of the optimized SDC and GDC structures, such as bonding analysis, phonon density-of-state and mean-square-displacement of the oxygen ions. Also, we report the direction-dependent vibrations at the specific frequency of the oxygen ions near the vacancies, activation energies, and diffusion coefficients of SDC and GDC which can extend our understanding of diffusion dynamics in doped ceria-based electrolytes for SOFC applications.

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.

Thermal conductivity and phonon transport properties of silicon using perturbation theory and the environment-dependent interatomic potential

NASA Astrophysics Data System (ADS)

Pascual-Gutiérrez, José A.; Murthy, Jayathi Y.; Viskanta, Raymond

2009-09-01

Silicon thermal conductivities are obtained from the solution of the linearized phonon Boltzmann transport equation without the use of any parameter-fitting. Perturbation theory is used to compute the strength of three-phonon and isotope scattering mechanisms. Matrix elements based on Fermi's golden rule are computed exactly without assuming either average or mode-dependent Grüeisen parameters, and with no underlying assumptions of crystal isotropy. The environment-dependent interatomic potential is employed to describe the interatomic force constants and the perturbing Hamiltonians. A detailed methodology to accurately find three-phonon processes satisfying energy- and momentum-conservation rules is also described. Bulk silicon thermal conductivity values are computed across a range of temperatures and shown to match experimental data very well. It is found that about two-thirds of the heat transport in bulk silicon may be attributed to transverse acoustic modes. Effective relaxation times and mean free paths are computed in order to provide a more complete picture of the detailed transport mechanisms and for use with carrier transport models based on the Boltzmann transport equation.

Multiphonon contribution to the polaron formation in cuprates with strong electron correlations and strong electron-phonon interaction

NASA Astrophysics Data System (ADS)

Ovchinnikov, Sergey G.; Makarov, Ilya A.; Kozlov, Peter A.

2017-03-01

In this work dependences of the electron band structure and spectral function in the HTSC cuprates on magnitude of electron-phonon interaction (EPI) and temperature are investigated. We use three-band p-d model with diagonal and offdiagonal EPI with breathing and buckling phonon mode in the frameworks of polaronic version of the generalized tight binding (GTB) method. The polaronic quasiparticle excitation in the system with EPI within this approach is formed by a hybridization of the local multiphonon Franck-Condon excitations with lower and upper Hubbard bands. Increasing EPI leads to transfer of spectral weight to high-energy multiphonon excitations and broadening of the spectral function. Temperature effects are taken into account by occupation numbers of local excited polaronic states and variations in the magnitude of spin-spin correlation functions. Increasing the temperature results in band structure reconstruction, spectral weight redistribution, broadening of the spectral function peak at the top of the valence band and the decreasing of the peak intensity. The effect of EPI with two phonon modes on the polaron spectral function is discussed.

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.

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.

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.

Tunable cavity coupling of the zero phonon line of a nitrogen-vacancy defect in diamond

NASA Astrophysics Data System (ADS)

Johnson, S.; Dolan, P. R.; Grange, T.; Trichet, A. A. P.; Hornecker, G.; Chen, Y. C.; Weng, L.; Hughes, G. M.; Watt, A. A. R.; Auffèves, A.; Smith, J. M.

2015-12-01

We demonstrate the tunable enhancement of the zero phonon line of a single nitrogen-vacancy colour centre in diamond at cryogenic temperature. An open cavity fabricated using focused ion beam milling provides mode volumes as small as 1.24 μm3 (4.7 {λ }3) and quality factor Q≃ 3000. In situ tuning of the cavity resonance is achieved with piezoelectric actuators. At optimal coupling to a TEM00 cavity mode, the signal from individual zero phonon line transitions is enhanced by a factor of 6.25 and the overall emission rate of the NV- centre is increased by 40% compared with that measured from the same centre in the absence of cavity field confinement. This result represents a step forward in the realisation of efficient spin-photon interfaces and scalable quantum computing using optically addressable solid state spin qubits.

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.

All-angle negative refraction of highly squeezed plasmon and phonon polaritons in graphene–boron nitride heterostructures

PubMed Central

Lin, Xiao; Yang, Yi; Rivera, Nicholas; López, Josué J.; Shen, Yichen; Kaminer, Ido; Chen, Hongsheng; Zhang, Baile; Joannopoulos, John D.; Soljačić, Marin

2017-01-01

A fundamental building block for nanophotonics is the ability to achieve negative refraction of polaritons, because this could enable the demonstration of many unique nanoscale applications such as deep-subwavelength imaging, superlens, and novel guiding. However, to achieve negative refraction of highly squeezed polaritons, such as plasmon polaritons in graphene and phonon polaritons in boron nitride (BN) with their wavelengths squeezed by a factor over 100, requires the ability to flip the sign of their group velocity at will, which is challenging. Here we reveal that the strong coupling between plasmon and phonon polaritons in graphene–BN heterostructures can be used to flip the sign of the group velocity of the resulting hybrid (plasmon–phonon–polariton) modes. We predict all-angle negative refraction between plasmon and phonon polaritons and, even more surprisingly, between hybrid graphene plasmons and between hybrid phonon polaritons. Graphene–BN heterostructures thus provide a versatile platform for the design of nanometasurfaces and nanoimaging elements. PMID:28611222

The phonon-polariton spectrum of one-dimensional Rudin-Shapiro photonic superlattices with uniaxial polar materials

NASA Astrophysics Data System (ADS)

Gómez-Urrea, H. A.; Duque, C. A.; Mora-Ramos, M. E.

2015-11-01

The properties of the optical-phonon-associated polaritonic modes that appear under oblique light incidence in 1D superlattices made of photonic materials are studied. The investigated systems result from the periodic repetition of quasiregular Rudin-Shapiro (RS) multilayer units. It is assume that the structure consists of both passive non-dispersive layers of constant refraction index and active layers of uniaxial polar materials. In particular, we consider III-V wurtzite nitrides. The optical axis of these polaritonic materials is taken along the growth direction. Maxwell equations are solved using the transfer matrix technique for all admissible values of the incidence angle.

Confinement effects on electron and phonon degrees of freedom in nanofilm superconductors: A Green function approach

NASA Astrophysics Data System (ADS)

Saniz, R.; Partoens, B.; Peeters, F. M.

2013-02-01

The Green function approach to the Bardeen-Cooper-Schrieffer theory of superconductivity is used to study nanofilms. We go beyond previous models and include effects of confinement on the strength of the electron-phonon coupling as well as on the electronic spectrum and on the phonon modes. Within our approach, we find that in ultrathin films, confinement effects on the electronic screening become very important. Indeed, contrary to what has been advanced in recent years, the sudden increases of the density of states when new bands start to be occupied as the film thickness increases, tend to suppress the critical temperature rather than to enhance it. On the other hand, the increase of the number of phonon modes with increasing number of monolayers in the film leads to an increase in the critical temperature. As a consequence, the superconducting critical parameters in such nanofilms are determined by these two competing effects. Furthermore, in sufficiently thin films, the condensate consists of well-defined subcondensates associated with the occupied bands, each with a distinct coherence length. The subcondensates can interfere constructively or destructively giving rise to an interference pattern in the Cooper pair probability density.

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.

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

Phonon Scattering and Confinement in Crystalline Films

NASA Astrophysics Data System (ADS)

Parrish, Kevin D.

. Removing the isotropic assumption, leading to the formulation of modal ray-tracing, corrects the mean free path distribution. The effect of phonon line-of-sight is investigated in nanoporous silicon films using free path sampling. When the line-of-sight is cut off there is a distinct change in thermal conductivity versus porosity. By analyzing the free paths of an obstructed phonon mode, it is concluded that the trend change is due to a hard upper limit on the free paths that can exist due to the nanopore geometry in the material. The transient grating technique is an optical contact-less laser based experiment for measuring the in-plane thermal diffusivity of thin films and membranes. The theory of operation and physical setup of a transient grating experiment is detailed. The procedure for extracting the thermal diffusivity from the raw experimental signal is improved upon by removing arbitrary user choice in the fitting parameters used and constructing a parameterless error minimizing procedure. The thermal conductivity of ultra-thin argon films modeled with the Lennard-Jones potential is calculated from both the Monte Carlo free path sampling technique and from explicit reduced dimensionality lattice dynamics calculations. In these ultra-thin films, the phonon properties are altered in more than a perturbative manner, referred to as the confinement regime. The free path sampling technique, which is a perturbative method, is compared to a reduced dimensionality lattice dynamics calculation where the entire film thickness is taken as the unit cell. Divergence in thermal conductivity magnitude and trend is found at few unit cell thick argon films. Although the phonon group velocities and lifetimes are affected, it is found that alterations to the phonon density of states are the primary cause of the deviation in thermal conductivity in the confinement regime.

Trapped-mode-induced Fano resonance and acoustical transparency in a one-dimensional solid-fluid phononic crystal

NASA Astrophysics Data System (ADS)

Quotane, Ilyasse; El Boudouti, El Houssaine; Djafari-Rouhani, Bahram

2018-01-01

of existence of Fano resonances that can be fitted following a Fano-type expression. The variation of the Fano parameter that describes the asymmetry of such resonances as well as their width versus θ is studied in detail. In the case of an asymmetric structure (i.e., different solid layers), we show the existence of an incidence angle that enables to squeeze a resonance between two transmission zeros induced by the two solid layers. This resonance behaves like an AIT resonance, its position and width depend on the nature of the fluid and solid layers as well as on the difference between the thicknesses of the solid layers. (iii) In the case of a periodic structure (phononic crystal), we show that trapped modes and Fano resonances give rise, respectively, to dispersionless flat bands with zero group velocity and nearly flat bands with negative or positive group velocities. The analytical results presented here are obtained by means of the Green's function method which enables to deduce in closed form: dispersion curves, transmission and reflection coefficients, DOS, as well as the displacement fields. The proposed solid-fluid layered structures should have important applications for designing acoustic mirrors and acoustic filters as well as supersonic and subsonic materials.

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.

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.

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.

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

Ultrafast spectroscopy of coherent phonon in carbon nanotubes using sub-5-fs visible pulses

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

Kobayashi, Takayoshi; JST, CREST, 5 Sanbancho, Chiyoda-ku, Tokyo 102-0075 Japan; Department of Electrophysics, National Chiao Tung University, Hsinchu 30010, Taiwan

2016-02-01

In the last two decades, nano materials are attracting many scientists’ interest for both basic and application viewpoints. In order to understand the properties of nano systems it is needed to understand the dynamic properties which control the specific properties of the systems. All the primary processes in nano systems are taking place in femtosecond regime. Our group has been able to stably generate visible to near-infrared sub-5-fs laser pulses using a noncollinear optical parametric amplifier (NOPA) by the combination of various novel techniques including non-collinear optical parametric amplifier, pulse compression by a prism pair and grating pair. We applymore » the sub-5-fs pulses to study real-time coherent phonon in a one-dimensional system of carbon nanotubes. We determine exciton-phonon coupling mechanisms by observing the breathing mode in semiconducting carbon nanotubes and show the effect of electronic transition affected by the vibrational mode.« less

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).

Interfacial thermal transport with strong system-bath coupling: A phonon delocalization effect

NASA Astrophysics Data System (ADS)

He, Dahai; Thingna, Juzar; Cao, Jianshu

2018-05-01

We study the effect of system-bath coupling strength on quantum thermal transport through the interface of two weakly coupled anharmonic molecular chains by using a quantum self-consistent phonon approach. The approach inherently assumes that the two segments (anharmonic molecular chains) are approximately in local thermal equilibrium with respect to the baths that they are connected to and transforms the strongly anharmonic system into an effective harmonic one with a temperature-dependent transmission. Despite the approximations, the approach is ideal for our setup, wherein the weak interfacial coupling guarantees an approximate local thermal equilibrium of each segment and short chain length (less than the phonon mean-free path) ensues from the effective harmonic approximation. Remarkably, the heat current shows a resonant to bi-resonant transition due to the variations in the interfacial coupling and temperature, which is attributed to the delocalization of phonon modes. Delocalization occurs only in the strong system-bath coupling regime and we utilize it to model a thermal rectifier whose ratio can be nonmonotonically tuned not only with the intrinsic system parameters but also with the external temperature.

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.

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