Phonon-phonon interactions and phonon damping for the curvature modes in carbon nanotubes
NASA Astrophysics Data System (ADS)
Li, Guolong; Ren, Zhongzhou
2016-01-01
We focus on the damping of the lowest-lying gapped modes with integer angular-momentum quantum number |l|=2 in carbon nanotubes (CNTs). These modes, called C modes simply, can be predicted within the framework of the continuum elasticity theory with the curvature term. Based on the phonon-phonon interactions due to the anharmonic effect, we obtain the three-phonon coupling coefficients of different damping processes of C modes. Applying perturbation theory, we calculate relaxation rates τ_C-1 and upper bounds of quality factors for the long-wavelength C modes. In addition, we display the wave vector dependence of τC and show the importance of the C mode damping to thermal conductivity.
NASA Astrophysics Data System (ADS)
Onuma, T.; Saito, S.; Sasaki, K.; Goto, K.; Masui, T.; Yamaguchi, T.; Honda, T.; Kuramata, A.; Higashiwaki, M.
2016-03-01
Temperature-dependent exciton resonance energies Eexciton in β-Ga2O3 single crystals are studied by using polarized reflectance measurement. The Eexciton values exhibit large energy changes in the range of 179-268 meV from 5 to 300 K. The IR-active Au and Bu optical phonon modes are selectively observed in the IR spectroscopic ellipsometry spectra by reflecting the polarization selection rules. The longitudinal optical (LO) phonon energies can be divided into three ranges: ℏωLO = 35-48, 70-73, and 88-99 meV. The broadening parameters, which are obtained from the reflectance measurements, correspond to the lower two ranges of ℏωLO at low temperature and 75 meV above 150 K. The large Eexciton changes with temperature in β-Ga2O3 are found to be originated from the exciton-LO-phonon interaction.
Identification of Raman-active phonon modes in oriented platelets of InN and polycrystalline InN
NASA Astrophysics Data System (ADS)
Dyck, J. S.; Kim, K.; Limpijumnong, S.; Lambrecht, W. R. L.; Kash, K.; Angus, J. C.
2000-04-01
We report on micro-Raman studies on both randomly oriented polycrystals and groups of oriented, faceted platelets of indium nitride grown from the melt at subatmospheric pressures. Phonon modes were assigned as A1TO=445, E1TO=472, E2(2)=488, and A1LO=588 cm-1. The FWHM of the E2(2) peak of 2.5 cm -1 is the narrowest reported to date for InN. The measured TO phonon frequencies were compared to those calculated from first principles and excellent agreement was found. The results are discussed in the context of previously reported Raman experiments on heteroepitaxial, and hence strained, layers of InN.
Finite element analysis of surface modes in phononic crystal waveguides
NASA Astrophysics Data System (ADS)
Guo, Yuning; Schubert, Martin; Dekorsy, Thomas
2016-03-01
The study of surface modes in phononic crystal waveguides in the hypersonic regime is a burgeoning field with a large number of possible applications. By using the finite element method, the band structure and the corresponding transmission spectrum of surface acoustic waves in phononic crystal waveguides generated by line defects in a silicon pillar-substrate system were calculated and investigated. The bandgaps are caused by the hybridization effect of band branches induced by local resonances and propagating modes in the substrate. By changing the sizes of selected pillars in the phononic crystal waveguides, the corresponding bands shift and localized modes emerge due to the local resonance effect induced by the pillars. This effect offers further possibilities for tailoring the propagation and filtering of elastic waves. The presented results have implications for the engineering of phonon dynamics in phononic nanostructures.
Dynamical aspects of phonon-phonon coupling in collective mode damping
NASA Astrophysics Data System (ADS)
Cataldo, H. M.; Hernández, E. S.; Dorso, C. O.
1987-04-01
We present an extension of the Quantal Brownian Motion (QBM) model of vibration damping that incorporates phonon-phonon or phonon-(two-particle-two-hole) interactions as sources of dissipative evolution of the excited mode. Starting from the Schrödinger-on Neumann equation of motion, a reduction procedure combined with the proper approximations leads to coupled, nonlinear master equations for the density vectors of the separate oscillators. The fermionic heat bath remains equilibrated at temperature T. The evolution of the phonon system is numerically analyzed under different initial conditions that simulate excitation of one or more collective vibrations, for several strengths of mode-mode coupling. It is found that in the majority of cases the system reaches statistical equilibrium with relaxation times that can be extracted from the numerical treatment.
Dispersion of doppleron-phonon modes in strong coupling regime.
Gudkov, V V; Zhevstovskikh, I V
2004-04-01
The dispersion equation for doppleron-phonon modes was constructed and solved analytically in the strong coupling regime. The Fermi surface model proposed previously for calculating the doppleron spectrum in an indium crystal was used. It was shown that in the vicinity of doppleron-phonon resonance, the dispersion curves of coupled modes form a gap qualitatively different from the one observed under helicon-phonon resonance: there is a frequency interval forbidden for existence of waves of definite circular polarization depending upon direction of the external DC magnetic field. The physical reason for it is interaction of the waves which have oppositely directed group velocities. PMID:15047286
Lattice parameters and Raman-active phonon modes of (In{sub x}Ga{sub 1–x})₂O₃ for x<0.4
Kranert, Christian Lenzner, Jörg; Jenderka, Marcus; Lorenz, Michael; Wenckstern, Holger von; Schmidt-Grund, Rüdiger; Grundmann, Marius
2014-07-07
We present X-ray diffraction and Raman spectroscopy investigations of (In{sub x}Ga{sub 1–x})₂O₃ thin films and bulk-like ceramics in dependence of their composition. The thin films grown by pulsed laser deposition have a continuous lateral composition spread allowing the determination of phonon mode properties and lattice parameters with high sensitivity to the composition from a single 2-in. wafer. In the regime of low indium concentration, the phonon energies depend linearly on the composition and show a good agreement between both sample types. We determined the slopes of these dependencies for eight different Raman modes. While the lattice parameters of the ceramics follow Vegard's rule, deviations are observed for the thin films. Further, we found indications of the high-pressure phase InGaO₃ II in the thin films above a critical indium concentration, its value depending on the type of substrate.
Temperature dependent phonon mode coupling in YBCO_6.95
NASA Astrophysics Data System (ADS)
Stercel, Ferenc; Chung, Jae-Ho; Egami, Takeshi; Mook, Herb; Frost, Chris
2004-03-01
While the majority in the field of high-temperature superconductivity believe in the magnetic mechanism, experimental evidence of phonon involvement is increasing. We carried out inelastic neutron scattering measurements of c-axis phonons with a YBa_2Cu_3O_6.95 single crystal at the MAPS of the ISIS facility. We found distinct temperature dependence of the 63 meV apical oxygen phonon mode, which correlates well with that of the in-plane Cu-O bond-stretching phonon mode observed earlier. The result indicates that the coupling between the two modes changes with temperature, similar to the superconducting order parameter. The coupling is mainly due to the Coulomb repulsion between the in-plane oxygen and the apical oxygen. The phonon-induced hole transfer from oxygen to copper introduces attractive force and offsets this repulsion. The observed effect can be explained by the enhancement of offset due to the off-diagonal transfer of Cooper pairs. Thus this observation constitutes the direct confirmation of involvement of the in-plane Cu-O bond-stretching phonons in the superconductivity of YBCO_6.95.
NASA Astrophysics Data System (ADS)
Iyer, Srikanth S.; Candler, Robert N.
2016-03-01
In this work, we determine the intrinsic mechanical energy dissipation limit for single-crystal resonators due to anharmonic phonon-phonon scattering in the Akhiezer (Ω τ ≪1 ) regime. The energy loss is derived using perturbation theory and the linearized Boltzmann transport equation for phonons, and includes the direction- and polarization-dependent mode-Grüneisen parameters in order to capture the strain-induced anharmonicity among phonon branches. This expression reveals the fundamental differences among the internal friction limits for different types of bulk-mode elastic waves. For cubic crystals, 2D-extensional modes have increased dissipation compared to width-extensional modes because the biaxial deformation opposes the natural Poisson contraction of the solid. Additionally, we show that shear-mode vibrations, which preserve volume, have significantly reduced energy loss because dissipative phonon-phonon scattering is restricted to pure-shear phonon branches, indicating that Lamé- or wineglass-mode resonators will have the highest upper limit on mechanical efficiency. Finally, we employ key simplifications to evaluate the quality factor limits for common mode shapes in single-crystal silicon devices, explicitly including the correct effective elastic storage moduli for different vibration modes and crystal orientations. Our expression satisfies the pressing need for a reliable analytical model that can predict the phonon-phonon dissipation limits for modern resonant microelectromechanical systems, where precise manufacturing techniques and accurate finite-element methods can be used to select particular vibrational mode shapes and crystal orientations.
Anharmonicity and necessity of phonon eigenvectors in the phonon normal mode analysis
Feng, Tianli; Qiu, Bo; Ruan, Xiulin
2015-05-21
It is well known that phonon frequencies can shift from their harmonic values when elevated to a finite temperature due to the anharmonicity of interatomic potential. Here, we show that phonon eigenvectors also have shifts, but only for compound materials in which each atom has at least two types of anharmonic interactions with other atoms. Using PbTe as the model material, we show that the shifts in some phonon modes may reach as much as 50% at 800 K. Phonon eigenvectors are used in normal mode analysis (NMA) to predict phonon relaxation times and thermal conductivity. We show, from both analytical derivations and numerical simulations, that the eigenvectors are unnecessary in frequency-domain NMA, which gives a critical revision of previous knowledge. This simplification makes the calculation in frequency-domain NMA more convenient since no separate lattice dynamics calculations are needed. On the other hand, we expect our finding of anharmonic eigenvectors may make difference in time-domain NMA and other areas, like wave-packet analysis.
Lattice parameters and Raman-active phonon modes of β-(Al{sub x}Ga{sub 1−x}){sub 2}O{sub 3}
Kranert, Christian Jenderka, Marcus; Lenzner, Jörg; Lorenz, Michael; Wenckstern, Holger von; Schmidt-Grund, Rüdiger; Grundmann, Marius
2015-03-28
We present X-ray diffraction and Raman spectroscopy investigations of a (100)-oriented (Al{sub x}Ga{sub 1–x}){sub 2}O{sub 3} thin film on MgO (100) and bulk-like ceramics in dependence on their composition. The thin film grown by pulsed laser deposition has a continuous lateral composition spread allowing to determine precisely the dependence of the phonon mode properties and lattice parameters on the chemical composition. For x < 0.4, we observe the single-phase β-modification. Its lattice parameters and phonon energies depend linearly on the composition. We determined the slopes of these dependencies for the individual lattice parameters and for nine Raman lines, respectively. While the lattice parameters of the ceramics follow Vegard's rule, deviations are observed for the thin film. This deviation has only a small effect on the phonon energies, which show a reasonably good agreement between thin film and ceramics.
Sharp bends of phononic crystal surface modes
NASA Astrophysics Data System (ADS)
Cicek, Ahmet; Salman, Aysevil; Adem Kaya, Olgun; Ulug, Bulent
2015-12-01
Sharp bending of surface waves at the interface of a two-dimensional phononic crystal (PnC) of steel cylinders in air and the method of using a diagonally offset cylindrical scatterer are numerically demonstrated by finite-element method simulations. The radii of the diagonally offset scatterer and the cylinder at the PnC corner, along with the distance between them, are treated as optimization parameters in the genetic algorithm optimization of sharp bends. Surface wave transmittance of at most 5% for the unmodified sharp bend is significantly enhanced to approximately 75% as a result of optimization. A series of transmittance peaks whose maxima increase exponentially, as their widths reduce, with increasing frequency is observed for the optimized sharp bend. The transmittance peaks appear at frequencies corresponding to integer plus half-beat periods, depending on the finite surface length. The optimal parameters are such that the cylinder radius at the PnC corner is not significantly modified, whereas a diagonally offset scatterer having a diameter of almost two periods and a shortest distance of about 0.7 periods between them is required for the strongest transmittance peak. Utilization of PnC surface sharp bends as acoustic ring resonators is demonstrated.
Phonon transport at interfaces: Determining the correct modes of vibration
NASA Astrophysics Data System (ADS)
Gordiz, Kiarash; Henry, Asegun
2016-01-01
For many decades, phonon transport at interfaces has been interpreted in terms of phonons impinging on an interface and subsequently transmitting a certain fraction of their energy into the other material. It has also been largely assumed that when one joins two bulk materials, interfacial phonon transport can be described in terms of the modes that exist in each material separately. However, a new formalism for calculating the modal contributions to thermal interface conductance with full inclusion of anharmonicity has been recently developed, which now offers a means for checking the validity of this assumption. Here, we examine the assumption of using the bulk materials' modes to describe the interfacial transport. The results indicate that when two materials are joined, a new set of vibrational modes are required to correctly describe the transport. As the modes are analyzed, certain classifications emerge and some of the most important modes are localized at the interface and can exhibit large conductance contributions that cannot be explained by the current physical picture based on transmission probability.
NASA Astrophysics Data System (ADS)
Nobile, Concetta; Carbone, Luigi; Kudera, Stefan; Manna, Liberato; Cingolani, Roberto; Krahne, Roman; Fonoberov, Vladimir A.; Balandin, Alexander A.; Chilla, Gerwin; Kipp, Tobias; Heitmann, Detlef
2007-03-01
Nanocrystal rods have emerged as promising nanostructured material for both fundamental studies of nanoscale effects and for optical and electronic device applications. We investigated the optical phonon excitations in laterally aligned CdSe nanocrystal rod arrays using resonant Raman scattering. Electric-field mediated alignment between interdigitated electrodes has been used to prepare the samples. We report Raman experiments that probe the optical lattice vibrations in ordered arrays of CdSe nanorods with respect to the nanorod orientation. The packing of nanorods into dense arrays leads to the suppression of the surface optical phonon modes. In the longitudinal-optical phonon peak we observe a fine structure that depends on the relative orientation of the nanorods with respect to the incident light polarization. Detailed comparison of the experimental data with the first-principle calculations for corresponding nanostructures, which reveal the symmetry of the phonon potentials for the Raman active modes, provides a qualitative explanation of the experimentally observed phonon modes.
Optical phonon modes in rhombohedral boron monosulfide under high pressure
Cherednichenko, Kirill A.; Sokolov, Petr S.; Solozhenko, Vladimir L.; Kalinko, Aleksandr; Le Godec, Yann; Polian, Alain; Itié, Jean-Paul
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.
Anharmonic effects on Raman-active phonons
NASA Astrophysics Data System (ADS)
Canonico, Michael John
This dissertation explores anharmonic properties of semiconductor materials associated with strain and phonon lifetime using Raman spectroscopy. In recent years, extensive research and development of strain engineered advanced complementary metal-oxide-semiconductor devices utilizing high-k dielectrics and metal gate technology has been conducted to meet the challenges imposed by fundamental limits of device scaling. From a development and manufacturing viewpoint, the metrology required to drive these new technologies is critical to their success. In particular, UV-Raman spectroscopy has been extensively used to measure wafer and device strain due to the high spatial and spectral resolution coupled with an ultra-short optical penetration depth in Si. However, the strain-shift coefficients reported in the literature, which correlate the shift in Raman frequency with strain, have typically been measured in the visible portion of the spectrum and appear to differ from their UV counter-parts. This work presents a detailed measurement of the strain-shift coefficients in the UV at 325 and 364nm for Si, Ge, and Si:C and SiGe alloys. In addition, the temperature dependence of the frequencies and linewidths of the Raman-active longitudinal-optic (LO) phonons in GaAs and AlAs III-V semiconductor compounds is presented. Contrary to early theoretical predictions, the low temperature lifetime of the LO phonon is similar for the two materials with tau = 9.5 ps and 9.7 ps in GaAs and AlAs, respectively. The discrepancy between theory and experiment is caused by the accidental degeneracy between the AlAs LO phonon frequency and a Van Hove singularity in the two-phonon density of states. A new expression, based on the frequency dependence of the phonon self-energy, is derived to model the phonon lifetime.
Temperature insensitive mass sensing of mode selected phononic crystal cavity
NASA Astrophysics Data System (ADS)
Li, Peng; Li, Feng; Liu, Yongshun; Shu, Fengfeng; Wu, Junfeng; Wu, Yihui
2015-12-01
Phononic crystal cavities with high quality (Q) factors are attractive in both signal processing and sensing applications. In this paper, 2D phononic crystal point defect cavities are fabricated on silicon slabs by micro electromechanical system (MEMS) technologies. An electrode design method is proposed to enhance displacements of the point defect modes. Then the method is applied to design MEMS resonators with different port numbers, among which Q factor as high as 21 300 is obtained in air. Multiport resonators with transmission measurements are proved to be advantageous over one-port resonators with impedance measurements in frequency resolution. A temperature insensitive resonant mass sensor is designed based on a two-port resonator. Two defect modes with strong responses in the two-port resonator are combined to compensate environmental temperature interference. The temperature compensation experiment reveals that temperature interference is effectively compensated from mass measurement and the mass sensitivity of the sensor is 5.4 Hz ng-1. The conclusion of mode selection or sensing mechanism will help to design resonators or sensors with high performances.
NASA Astrophysics Data System (ADS)
Bai, Wen-Chao; Lan, Zhong-Jian; Zhang, Han-Zhuang; Zhang, Han; Jiang, Li
2016-09-01
The properties of phonon-polaritons in Czochralski-grown piezoelectric superlattice (CPSL), are studied theoretically. We propose the phonon-polariton mode of CPSL. The mechanism for polariton coupling is analyzed. We discuss the factors that influence the properties of the phonon-polariton. Some potential applications are also discussed.
Theory of rigid-plane phonon modes in layered crystals
NASA Astrophysics Data System (ADS)
Michel, K. H.; Verberck, B.
2012-03-01
The lattice dynamics of low-frequency rigid-plane modes in metallic (graphene multilayers, GML) and in insulating (hexagonal boron-nitride multilayers, BNML) layered crystals is investigated. The frequencies of shearing and compression (stretching) modes depend on the layer number N and are presented in the form of fan diagrams. The results for GML and BNML are very similar. In both cases, only the interactions (van der Waals and Coulomb) between nearest-neighbor planes are effective, while the interactions between more distant planes are screened. A comparison with recent Raman scattering results on low-frequency shear modes in GML [Tan , Nat. Mater., in press, doi:10.1038/nmat3245, (2012)] is made. Relations with the low-lying rigid-plane phonon dispersions in the bulk materials are established. Master curves, which connect the fan diagram frequencies for any given N, are derived. Static and dynamic thermal correlation functions for rigid-layer shear and compression modes are calculated. The results might be of use for the interpretation of friction force experiments on multilayer crystals.
Optical phonon modes in ordered core-shell CdSe/CdS nanorod arrays
NASA Astrophysics Data System (ADS)
Giugni, Andrea; Das, Gobind; Alabastri, Alessandro; Zaccaria, Remo Proietti; Zanella, Marco; Franchini, Isabella; di Fabrizio, Enzo; Krahne, Roman
2012-03-01
We investigate the optical phonons in “dot-in-a-rod” core-shell CdSe/CdS nanorods at wavelengths resonant with the optical transitions either in the core or in the shell. At a wavelength above the CdS band gap, only CdS phonon modes were detected. In contrast, at excitation in resonance with the core transitions, we observed phonon modes of both the CdSe core and the CdS shell. In laterally ordered nanorod assemblies, the CdS longitudinal-optical phonon mode manifested a low-energy shoulder that could be related to higher-order longitudinal-optical phonon modes. Furthermore, we report on surface-optical modes that originate from the tracklike superstructure of the nanorod assemblies.
The perfect soft mode: giant phonon instability in a ferroelectric.
Mackeviciute, R; Ivanov, M; Banys, J; Novak, Nikola; Kutnjak, Zdravko; Wencka, Magdalena; Scott, J F
2013-05-29
Previous studies of unstable ('soft') optical modes in ferroelectrics have reported minimum frequencies of 1 cm(-1) (30 GHz) for underdamped phonons. In this work we fabricate a cylindrical coaxial specimen and rectangular plate waveguide specimens of tris-sarcosine calcium chloride (TSCC) and follow its soft mode several orders of magnitude lower to 1 GHz. Below 30 GHz the relaxation time is probably characteristic of domain wall motion; the new theory of Pakhomov et al (2013 Ferroelectrics at press) predicts 0.5 THz far from TC and a (T - T(C))/T(C) dependence, in agreement with our experimental values. This discovery has implications for GHz electronics such as phased array radar or other voltage-tunable low-loss components. The mean-field frequency description of the soft mode response f(T) is supported via precision calorimetry on TSCC with and without Br-doping. The ferroelectric-antiferroelectric phase transition, previously suggested from high-pressure data, is confirmed at 45 K at 1 atm. PMID:23636937
Raman study of phonon modes in ErVO4 single crystals
NASA Astrophysics Data System (ADS)
Guedes, I.; Hirano, Y.; Grimsditch, M.; Wakabayashi, N.; Loong, C.-K.; Boatner, L. A.
2001-08-01
The phonon modes of a pure ErVO4 crystal were determined at room temperature using Raman scattering methods, and the observed frequencies were assigned according to group theory in terms of the internal modes of the VO43- ions and the external modes of the Er(VO4) lattice. The assignments of the phonon modes match well with the overall phonon systematics of the rare-earth orthovanadate series, and the results presented here reinforce the general trend of bonding strength in the zircon series of RVO4, RAsO4, and RPO4 materials.
Hybrid surface-phonon-plasmon polariton modes in graphene/monolayer h-BN heterostructures.
Brar, Victor W; Jang, Min Seok; Sherrott, Michelle; Kim, Seyoon; Lopez, Josue J; Kim, Laura B; Choi, Mansoo; Atwater, Harry
2014-07-01
Infrared transmission measurements reveal the hybridization of graphene plasmons and the phonons in a monolayer hexagonal boron nitride (h-BN) sheet. Frequency-wavevector dispersion relations of the electromagnetically coupled graphene plasmon/h-BN phonon modes are derived from measurement of nanoresonators with widths varying from 30 to 300 nm. It is shown that the graphene plasmon mode is split into two distinct optical modes that display an anticrossing behavior near the energy of the h-BN optical phonon at 1370 cm(-1). We explain this behavior as a classical electromagnetic strong-coupling with the highly confined near fields of the graphene plasmons allowing for hybridization with the phonons of the atomically thin h-BN layer to create two clearly separated new surface-phonon-plasmon-polariton (SPPP) modes. PMID:24874205
NASA Astrophysics Data System (ADS)
Schubert, M.; Korlacki, R.; Knight, S.; Hofmann, T.; Schöche, S.; Darakchieva, V.; Janzén, E.; Monemar, B.; Gogova, D.; Thieu, Q.-T.; Togashi, R.; Murakami, H.; Kumagai, Y.; Goto, K.; Kuramata, A.; Yamakoshi, S.; Higashiwaki, M.
2016-03-01
We derive a dielectric function tensor model approach to render the optical response of monoclinic and triclinic symmetry materials with multiple uncoupled infrared and far-infrared active modes. We apply our model approach to monoclinic β -Ga2O3 single-crystal samples. Surfaces cut under different angles from a bulk crystal, (010) and (2 ¯01 ), are investigated by generalized spectroscopic ellipsometry within infrared and far-infrared spectral regions. We determine the frequency dependence of 4 independent β -Ga2O3 Cartesian dielectric function tensor elements by matching large sets of experimental data using a point-by-point data inversion approach. From matching our monoclinic model to the obtained 4 dielectric function tensor components, we determine all infrared and far-infrared active transverse optic phonon modes with Au and Bu symmetry, and their eigenvectors within the monoclinic lattice. We find excellent agreement between our model results and results of density functional theory calculations. We derive and discuss the frequencies of longitudinal optical phonons in β -Ga2O3 . We derive and report density and anisotropic mobility parameters of the free charge carriers within the tin-doped crystals. We discuss the occurrence of longitudinal phonon plasmon coupled modes in β -Ga2O3 and provide their frequencies and eigenvectors. We also discuss and present monoclinic dielectric constants for static electric fields and frequencies above the reststrahlen range, and we provide a generalization of the Lyddane-Sachs-Teller relation for monoclinic lattices with infrared and far-infrared active modes. We find that the generalized Lyddane-Sachs-Teller relation is fulfilled excellently for β -Ga2O3 .
NASA Astrophysics Data System (ADS)
Chen, Gang
In this talk, we will discuss different modes of heat conduction in nanostructures. Ballistic transport happens when phonon mean free path is longer than the characteristic size of the structure. We will discuss how we compute phonon mean free path distributions based on first-principles and measure the distributions with optical pump-probe techniques by exploring ballistic phonon transport processes. In superlattice structures, ballistic phonon transport across the whole thickness of the superlattices implies phase coherence. We observed this coherent transport in GaAs/AlAs superlattices with fixed periodic thickness and varying number of periods. Simulations show that although high frequency phonons are scattering by roughness, remaining long wavelength phonons maintain their phase and traverse the superlattices ballistically. Accessing the coherent heat conduction regime opens a new venue for phonon engineering. We show further that phonon heat conduction localization happens in GaAs/AlAs superlattice by placing ErAs nanodots at interfaces. This heat-conduction localization phenomenon is confirmed by nonequilibrium atomic Green's function simulation. These ballistic and localization effects can be exploited to improve thermoelectric energy conversion materials via reducing their thermal conductivity. In another opposite, we will discuss phonon hydrodynamic transport mode in graphene via first-principle simulations. In this mode, phonons drift with an average velocity under a temperature gradient, similar to fluid flow in a pipe. Conditions for observing such phonon hydrodynamic modes will be discussed. Finally, we will talk about the one-dimensional nature of heat conduction in polymer chains. Such 1D nature can lead to divergent thermal conductivity. Inspired by simulation, we have experimentally demonstrated high thermal conductivity in ultra-drawn polyethylene nanofibers and sheets. Work supported by DOE Office of Basic Energy Sciences under Award Number: DE
Observation of coherent delocalized phonon-like modes in DNA under physiological conditions
NASA Astrophysics Data System (ADS)
González-Jiménez, Mario; Ramakrishnan, Gopakumar; Harwood, Thomas; Lapthorn, Adrian J.; Kelly, Sharon M.; Ellis, Elizabeth M.; Wynne, Klaas
2016-06-01
Underdamped terahertz-frequency delocalized phonon-like modes have long been suggested to play a role in the biological function of DNA. Such phonon modes involve the collective motion of many atoms and are prerequisite to understanding the molecular nature of macroscopic conformational changes and related biochemical phenomena. Initial predictions were based on simple theoretical models of DNA. However, such models do not take into account strong interactions with the surrounding water, which is likely to cause phonon modes to be heavily damped and localized. Here we apply state-of-the-art femtosecond optical Kerr effect spectroscopy, which is currently the only technique capable of taking low-frequency (GHz to THz) vibrational spectra in solution. We are able to demonstrate that phonon modes involving the hydrogen bond network between the strands exist in DNA at physiologically relevant conditions. In addition, the dynamics of the solvating water molecules is slowed down by about a factor of 20 compared with the bulk.
An informatics based analysis of the impact of isotope substitution on phonon modes in graphene
Broderick, Scott; Srinivasan, Srikant; Rajan, Krishna; Ray, Upamanyu; Balasubramanian, Ganesh
2014-06-16
It is shown by informatics that the high frequency short ranged modes exert a significant influence in impeding thermal transport through isotope substituted graphene nanoribbons. Using eigenvalue decomposition methods, we have extracted features in the phonon density of states spectra that reveal correlations between isotope substitution and phonon modes. This study also provides a data driven computational framework for the linking of materials chemistry and transport properties in 2D systems.
Zero-frequency and slow elastic modes in phononic monolayer granular membranes.
Zheng, Li-Yang; Pichard, Hélène; Tournat, Vincent; Theocharis, Georgios; Gusev, Vitalyi
2016-07-01
We theoretically study the dispersion properties of elastic waves in hexagonal and honeycomb monolayer granular membranes with either out-of-plane or in-plane particle motion. The particles interact predominantly via normal and transverse contact rigidities. When rotational degrees of freedom are taken into account, the bending and torsional rigidities of the intergrain contacts can control some of the phononic modes. The existence of zero-frequency modes, zero-group-velocity modes and their transformation into slow propagating phononic modes due to weak bending and torsional intergrain interactions are investigated. We also study the formation and manipulation of Dirac cones and multiple degenerated modes. This could motivate variety of potential applications in elastic waves control by manipulating the contact rigidities in granular phononic crystals. PMID:26607105
Oxygen Vacancy Induced Flat Phonon Mode at FeSe /SrTiO3 interface
Xie, Yun; Cao, Hai-Yuan; Zhou, Yang; Chen, Shiyou; Xiang, Hongjun; Gong, Xin-Gao
2015-01-01
A high-frequency optical phonon mode of SrTiO3 (STO) was found to assist the high-temperature superconductivity observed recently at the interface between monolayer FeSe and STO substrate. However, the origin of this mode is not clear. Through first-principles calculations, we find that there is a novel polar phonon mode on the surface layers of the STO substrate, which does not exist in the STO crystals. The oxygen vacancies near the FeSe/STO interface drives the dispersion of this phonon mode to be flat and lowers its energy, whereas the charge transfer between STO substrate and FeSe monolayer further reduces its energy to 81 meV. This energy is in good agreement with the experimental value fitted by Lee et al. for the phonon mode responsible for the observed replica band separations and the increased superconducting gap. The oxygen-vacancy-induced flat and polar phonon mode provides clues for understanding the origin of high Tc superconductivity at the FeSe/STO interface. PMID:26067548
Zhang, Feng; Wang, Houng-Wei; Tominaga, Keisuke; Hayashi, Michitoshi
2016-03-01
THz absorption spectra of two polymorphs of diflunisal, form I and form III, exhibit distinct features due to the influence of packing conformations on the frequency distributions and IR activities of gamma point phonon modes within the 100 cm(-1) region. In order to understand the origins of these THz modes, we perform a detailed mode analysis. The result shows that although the spectral features are different, these low-frequency phonon modes of the two molecular polymorphs have similar vibrational characteristics in terms of harmonic couplings of intermolecular and intramolecular vibrations. PMID:26808927
Optical phonon modes and infrared dielectric properties of monoclinic CoWO4 microcrystals
NASA Astrophysics Data System (ADS)
Moreira, Roberto L.; Almeida, Rafael M.; Siqueira, Kisla P. F.; Abreu, Cintia G.; Dias, Anderson
2016-02-01
The phonon characteristics of CoWO4 microcrystals with monoclinic Wolframite structure were investigated by far-infrared (IR) and Raman spectroscopies. Near-normal spectra were taken for IR light polarization along the principal b-axis (A u modes) and along several angles within the ac-plane (B u modes). The IR spectra were analyzed with a generalized Drude-Lorentz model, and all predicted polar phonon modes were fully determined, including their symmetries, the dielectric Lorentz parameters and the non-orthogonal phonon polarizations for the B u modes. Anomalous dispersion and negative values for the real and imaginary parts of the off-diagonal components of the dielectric tensor functions were identified and discussed under the light of the varying phonon polarization directions (spread out in the ac-plane). The obtained static and background dielectric tensors gave an average permittivity of 16.1 (at microwave region), refractive indices along the principal dielectric axes of 2.22, 2.33 and 2.44 (at 1 μm), the optical axes, and an estimated value for the biaxial angle of the crystal. Polarized Raman spectra on appropriate scattering configurations revealed the 18 non-polar gerade phonons of CoWO4 crystals, with their correct symmetries attributed.
High- and low-frequency phonon modes in dipolar quantum gases trapped in deep lattices
NASA Astrophysics Data System (ADS)
Maluckov, Aleksandra; Gligorić, Goran; Hadžievski, Ljupčo; Malomed, Boris A.; Pfau, Tilman
2013-02-01
We study normal modes propagating on top of the stable uniform background in arrays of dipolar Bose-Einstein condensate (BEC) droplets trapped in a deep optical lattice. Both the on-site mean-field dynamics of the droplets and their displacement due to the repulsive dipole-dipole interactions (DDIs) are taken into account. Dispersion relations for two modes, viz., high- and low- frequency counterparts of optical and acoustic phonon modes in condensed matter, are derived analytically and verified by direct simulations, for both cases of the repulsive and attractive contact interactions. The (counterpart of the) optical-phonon branch does not exist without the DDIs. These results are relevant in the connection to emerging experimental techniques enabling real-time imaging of the condensate dynamics and direct experimental measurement of phonon dispersion relations in BECs.
Frequency stabilization of the zero-phonon line of a quantum dot via phonon-assisted active feedback
Hansom, Jack; Schulte, Carsten H. H.; Matthiesen, Clemens; Stanley, Megan J.; Atatüre, Mete
2014-10-27
We report on the feedback stabilization of the zero-phonon emission frequency of a single InAs quantum dot. The spectral separation of the phonon-assisted component of the resonance fluorescence provides a probe of the detuning between the zero-phonon transition and the resonant driving laser. Using this probe in combination with active feedback, we stabilize the zero-phonon transition frequency against environmental fluctuations. This protocol reduces the zero-phonon fluorescence intensity noise by a factor of 22 by correcting for environmental noise with a bandwidth of 191 Hz, limited by the experimental collection efficiency. The associated sub-Hz fluctuations in the zero-phonon central frequency are reduced by a factor of 7. This technique provides a means of stabilizing the quantum dot emission frequency without requiring access to the zero-phonon emission.
Coherent phonon optics in a chip with an electrically controlled active device
Poyser, Caroline L.; Akimov, Andrey V.; Campion, Richard P.; Kent, Anthony J.
2015-01-01
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. PMID:25652241
Optical phonon modes and crystal structure of NaLaF4 single crystals
NASA Astrophysics Data System (ADS)
Lage, Márcio Martins; Matinaga, Franklin Massami; Gesland, Jean-Yves; Moreira, Roberto Luiz
2006-03-01
Polarized Raman scattering and infrared reflectivity measurements have been used to investigate the crystal structure of Czochralski-grown NaLaF4 single crystals. The phonon symmetries, the simultaneous presence of polar modes in the infrared and Raman spectra, as well as the observation of piezoelectric resonance, helped us to identify the P6 group as the correct one for this crystal. This material belongs to a family of sodium lanthanide tetrafluorides (NaLnF4) crystals, whose photoluminescence efficiency is comparable to LiYF4. Therefore, NaLaF4 crystals may be important in the development of diode pumped up-conversion solid-state lasers. The number and behavior of the observed optical phonon modes were analyzed in terms of group theory predictions for the group symmetry found. A few anomalies in the phonon characteristics are discussed in terms of cationic disorder in the crystal lattice.
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.
Sparse phonon modes of a limit-periodic structure
NASA Astrophysics Data System (ADS)
Marcoux, Catherine; Socolar, Joshua E. S.
2016-05-01
Limit-periodic structures are well ordered but nonperiodic, and hence have nontrivial vibrational modes. We study a ball and spring model with a limit-periodic pattern of spring stiffnesses and identify a set of extended modes with arbitrarily low participation ratios, a situation that appears to be unique to limit-periodic systems. The balls that oscillate with large amplitude in these modes live on periodic nets with arbitrarily large lattice constants. By studying periodic approximants to the limit-periodic structure, we present numerical evidence for the existence of such modes, and we give a heuristic explanation of their structure.
Observation of coherent delocalized phonon-like modes in DNA under physiological conditions
González-Jiménez, Mario; Ramakrishnan, Gopakumar; Harwood, Thomas; Lapthorn, Adrian J.; Kelly, Sharon M.; Ellis, Elizabeth M.; Wynne, Klaas
2016-01-01
Underdamped terahertz-frequency delocalized phonon-like modes have long been suggested to play a role in the biological function of DNA. Such phonon modes involve the collective motion of many atoms and are prerequisite to understanding the molecular nature of macroscopic conformational changes and related biochemical phenomena. Initial predictions were based on simple theoretical models of DNA. However, such models do not take into account strong interactions with the surrounding water, which is likely to cause phonon modes to be heavily damped and localized. Here we apply state-of-the-art femtosecond optical Kerr effect spectroscopy, which is currently the only technique capable of taking low-frequency (GHz to THz) vibrational spectra in solution. We are able to demonstrate that phonon modes involving the hydrogen bond network between the strands exist in DNA at physiologically relevant conditions. In addition, the dynamics of the solvating water molecules is slowed down by about a factor of 20 compared with the bulk. PMID:27248361
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
NASA Astrophysics Data System (ADS)
Shao, Cheng; Bao, Hua
2016-06-01
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.
Spin current generation and magnetic response in carbon nanotubes by the twisting phonon mode
NASA Astrophysics Data System (ADS)
Hamada, Masato; Yokoyama, Takehito; Murakami, Shuichi
2015-08-01
We theoretically investigate spin current and magnetic response induced by the twisting phonon mode in carbon nanotubes via the spin-rotation coupling. An effective magnetic field due to the twisting mode induces both spin and orbital magnetizations. The induced spin and orbital magnetizations have both radial and axial components. We show that ac pure spin current is generated by the twisting phonon mode. The magnitude of the spin current and orbital magnetization for a (10,10) armchair nanotube is estimated as an example. We find that the ac pure spin current is detectable in magnitude when the frequency of the twisting mode is of the order of GHz, and that the orbital magnetization is found to be larger than the spin magnetization.
Low-energy optical phonon modes in the caged compound LaRu2Zn20
NASA Astrophysics Data System (ADS)
Wakiya, K.; Onimaru, T.; Tsutsui, S.; Hasegawa, T.; Matsumoto, K. T.; Nagasawa, N.; Baron, A. Q. R.; Ogita, N.; Udagawa, M.; Takabatake, T.
2016-02-01
We have investigated atomic dynamics of caged compound LaRu2Zn20 by the measurements of specific heat C and inelastic x-ray scattering (IXS). The lattice part of the specific heat Clat divided by T3,Clat /T3, shows a broad peak at around 15 K, which is reproduced by two Einstein modes with characteristic temperatures of θE 1=35 K and θE 2=82 K, respectively. IXS measurements along the [111] and [110] directions reveal weakly dispersive phonon modes at 3 meV (35 K) and 7 meV (80 K), respectively, whose values agree with the values of θE's. The first-principles calculation has assigned the 3 meV phonon modes as the optical modes of Zn atoms located at the middle of two La atoms, which is likely to lead to the structural instability.
Interface-guided mode of Lamb waves in a two-dimensional phononic crystal plate
NASA Astrophysics Data System (ADS)
Huang, Ping-Ping; Yao, Yuan-Wei; Wu, Fu-Gen; Zhang, Xin; Li, Jing; Hu, Ai-Zhen
2015-05-01
We investigate the interface-guided mode of Lamb waves in a phononic crystal heterostructures plate, which is composed of two different semi-infinite phononic crystal (PC) plates. The interface-guided modes of the Lamb wave can be obtained by the lateral lattice slipping or by the interface longitudinal gliding. Significantly, it is observed that the condition to generate the interface-guided modes of the Lamb wave is more demanding than that of the studied fluid-fluid system. The interface-guided modes are strongly affected not only by the relative movement of the two semi-infinite PCs but also by the thickness of the PC plate. Project supported by the National Natural Science Foundation of China (Grant Nos. 11374068 and 11374066), the Science & Technology Star of Zhujiang Foundation of Guangzhou, China (Grant No. 2011J2200013), and the Natural Science Foundation of Guangdong, China (Grant No. S2012020010885).
Rayleigh surface waves, phonon mode conversion, and thermal transport in nanostructures
NASA Astrophysics Data System (ADS)
Maurer, Leon; Knezevic, Irena
We study the effects of phonon mode conversion and Rayleigh (surface) waves on thermal transport in nanostructures. We present a technique to calculate thermal conductivity in the elastic-solid approximation: a finite-difference time-domain (FDTD) solution of the elastic or scalar wave equations combined with the Green-Kubo formula. The technique is similar to an equilibrium molecular dynamics simulation, captures phonon wave behavior, and scales well to nanostructures that are too large to simulate with many other techniques. By imposing fixed or free boundary conditions, we can selectively turn off mode conversion and Rayleigh waves to study their effects. In the example case of graphenelike nanoribbons with rough edges, we find that mode conversion among bulk modes has little effect on thermal transport, but that conversion between bulk and Rayleigh waves can significantly reduce thermal conductivity. With increasing surface disorder, Rayleigh waves readily become trapped by the disorder and draw energy away from the propagating bulk modes, which lowers thermal conductivity. We discuss the implications on the accuracy of popular phonon-surface scattering models that stem from scalar wave equations and cannot capture mode conversion to Rayleigh waves.
On-chip optical mode conversion based on dynamic grating in photonic-phononic hybrid waveguide
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
On-chip optical mode conversion based on dynamic grating in photonic-phononic hybrid waveguide.
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
Epsilon-near-zero mode for active optoelectronic devices.
Vassant, S; Archambault, A; Marquier, F; Pardo, F; Gennser, U; Cavanna, A; Pelouard, J L; Greffet, J J
2012-12-01
The electromagnetic modes of a GaAs quantum well between two AlGaAs barriers are studied. At the longitudinal optical phonon frequency, the system supports a phonon polariton mode confined in the thickness of the quantum well that we call epsilon-near-zero mode. This epsilon-near-zero mode can be resonantly excited through a grating resulting in a very large absorption localized in the single quantum well. We show that the reflectivity can be modulated by applying a voltage. This paves the way to a new class of active optoelectronic devices working in the midinfrared and far infrared at ambient temperature. PMID:23368264
NASA Astrophysics Data System (ADS)
Kaminskii, A. A.; Lux, O.; Rhee, H.; Eichler, H. J.; Yoneda, H.; Shirakawa, A.; Ueda, K.; Rückamp, R.; Bohatý, L.; Becker, P.
2013-07-01
Natural crystals of topaz, Al2(F1-x(OH)x)2SiO4 were found to be an attractive Raman gain material and a subject for the investigation of different χ(3)-nonlinear optical effects. We present several manifestations of photon-phonon interactions related to SRS and RFWM processes initiated by picosecond excitations at room and cryogenic (≈9 K) temperature. Among them are octave-spanning Stokes and anti-Stokes generation in the visible and near-IR spectral range, combined SRS-active phonon modes, cross-cascaded up-conversion, χ(3)↔χ(3) lasing, as well as THG via self-sum frequency parametric generation. All recorded Raman-induced lasing lines are identified and attributed to the promoting χ(3)-vibration transitions. Based on the experimental data, theoretical simulations employing Fourier analysis are performed to demonstrate the potential of wide SRS frequency combs in terms of ultra-short pulse generation. On the 50th anniversary of the discovery of stimulated Raman scattering.
Coupling of phonon-polariton modes at dielectric-dielectric interfaces by the ATR technique
NASA Astrophysics Data System (ADS)
Cocoletzi, G. H.; Olvera Hernández, J.; Martínez Montes, G.
1989-08-01
We report the calculated ATR dispersion relation of the interface phonon-polariton modes in the prism-dielectric-dielectric configuration. Comparison of electromagnetic dispersion relations (EMDR) with the ATR dispersion relations are presented for three different interfaces: I) GaAs/GaP, II) CdF2/CaF2 and III) CaF2/GaP in two propagation windows, using the Otto and Kretschmann geometries for p-polarized light. We have studied the three cases using angle and frequency scans for each window and geometry. The results indicate that it is possible to excite and detect phonon-polariton modes at the dielectric-dielectric interface.
Unified Description of the Optical Phonon Modes in N-Layer MoTe2.
Froehlicher, Guillaume; Lorchat, Etienne; Fernique, François; Joshi, Chaitanya; Molina-Sánchez, Alejandro; Wirtz, Ludger; Berciaud, Stéphane
2015-10-14
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 Γ-point optical phonons in N-layer 2H-molybdenum ditelluride (MoTe2). We observe series of N-dependent low-frequency interlayer shear and breathing modes (below 40 cm(-1), denoted LSM and LBM) and well-defined Davydov splittings of the mid-frequency modes (in the range 100-200 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 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 E2u/E1g and B1u/A1g modes, respectively, and provide a measurement of the frequencies of the bulk silent E2u and B1u optical phonon modes. Our analysis could readily be generalized to other layered crystals. PMID:26371970
Axial interface optical phonon modes in a double-nanoshell system.
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. PMID:21828747
Neutron scattering from coupled phonon-impurity modes in KCl1-c(KCN)c
NASA Astrophysics Data System (ADS)
Nicklow, R. M.; Crummett, W. P.; Mostoller, M.; Wood, R. F.
1980-09-01
The hybridization of host-lattice phonons with the internal-energy states of CN- impurities in KCl has been studied by inelastic neutron scattering as a function of temperature between 10 and 100 K for samples with impurity concentrations in the range c=0.4 to 6 at.%. A temperature- and concentration-dependent coupling between phonons with Eg symmetry and the Eg transitions of CN- ions is observed near a frequency of 0.5 THz, a value which is consistent with the energy-level spacings for CN- in KCl as deduced by Beyeler. However, an expected coupling of phonons and CN- transitions with T2g symmetry near the same frequency was not detected. A simple two-level model for the CN- impurity provides a rather good description of the data for the Eg coupled modes for c<2 at.%, but it deviates significantly for larger concentrations. Quasielastic scattering, which has a strong dependence on impurity concentration, temperature, and phonon wave vector, is also observed.
The hydrogen-bond network of water supports propagating optical phonon-like modes.
Elton, Daniel C; Fernández-Serra, Marivi
2016-01-01
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. PMID:26725363
Coherent phonon spectroscopy of non-fully symmetric modes using resonant terahertz excitation
Huber, T. Huber, L.; Johnson, S. L.; Ranke, M.; Ferrer, A.
2015-08-31
We use intense terahertz (THz) frequency electromagnetic pulses generated via optical rectification in an organic crystal to drive vibrational lattice modes in single crystal Tellurium. The coherent modes are detected by measuring the polarization changes of femtosecond laser pulses reflecting from the sample surface, resulting in a phase-resolved detection of the coherent lattice motion. We compare the data to a model of Lorentz oscillators driven by the near-single-cycle broadband THz pulse. The demonstrated technique of optically probed coherent phonon spectroscopy with THz frequency excitation could prove to be a viable alternative to other time-resolved spectroscopic methods like standard THz time domain spectroscopy.
Planar modes free piezoelectric resonators using a phononic crystal with holes.
Aragón, J L; Quintero-Torres, R; Domínguez-Juárez, J L; Iglesias, E; Ronda, S; Montero de Espinosa, F
2016-09-01
By using the principles behind phononic crystals, a periodic array of circular holes made along the polarization thickness direction of piezoceramic resonators are used to stop the planar resonances around the thickness mode band. In this way, a piezoceramic resonator adequate for operation in the thickness mode with an in phase vibration surface is obtained, independently of its lateral shape. Laser vibrometry, electric impedance tests and finite element models are used to corroborate the performances of different resonators made with this procedure. This method can be useful in power ultrasonic devices, physiotherapy and other external medical power ultrasound applications where piston-like vibration in a narrow band is required. PMID:27387418
Coherent phonon spectroscopy of non-fully symmetric modes using resonant terahertz excitation
NASA Astrophysics Data System (ADS)
Huber, T.; Ranke, M.; Ferrer, A.; Huber, L.; Johnson, S. L.
2015-08-01
We use intense terahertz (THz) frequency electromagnetic pulses generated via optical rectification in an organic crystal to drive vibrational lattice modes in single crystal Tellurium. The coherent modes are detected by measuring the polarization changes of femtosecond laser pulses reflecting from the sample surface, resulting in a phase-resolved detection of the coherent lattice motion. We compare the data to a model of Lorentz oscillators driven by the near-single-cycle broadband THz pulse. The demonstrated technique of optically probed coherent phonon spectroscopy with THz frequency excitation could prove to be a viable alternative to other time-resolved spectroscopic methods like standard THz time domain spectroscopy.
Rotational modes in a phononic crystal with fermion-like behavior
NASA Astrophysics Data System (ADS)
Deymier, P. A.; Runge, K.; Swinteck, N.; Muralidharan, K.
2014-04-01
The calculated band structure of a two-dimensional phononic crystal composed of stiff polymer inclusions in a soft elastomer matrix is shown to support rotational modes. Numerical calculations of the displacement vector field demonstrate the existence of modes whereby the inclusions and the matrix regions between inclusions exhibit out of phase rotations but also in phase rotations. The observation of the in-phase rotational mode at low frequency is made possible by the very low transverse speed of sound of the elastomer matrix. A one-dimensional block-spring model is used to provide a physical interpretation of the rotational modes and of the origin of the rotational modes in the band structure. This model is analyzed within Dirac formalism. Solutions of the Dirac-like wave equation possess a spinor part and a spatio-temporal part. The spinor part of the wave function results from a coupling between the senses (positive or negative) of propagation of the wave. The wave-number dependent spinor-part of the wave function for two superposed waves can impose constraints on the integral of the spatio-temporal part that are reflected in a fermion-like lifting of degeneracy in the phonon band structure associated with in-phase rotations.
Morozovska, Anna N.; Vysochanskii, Yulian M.; Varenyk, Oleksandr V.; Silibin, Maxim V.; Kalinin, Sergei V.; Eliseev, Eugene A.
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 soft 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.
Morozovska, Anna N.; Vysochanskii, Yulian M.; Varenyk, Oleksandr V.; Silibin, Maxim V.; Kalinin, Sergei V.; Eliseev, Eugene A.
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
Phonon-roton modes of liquid 4He beyond the roton in MCM-41
Azuah, Richard T; Omar Diallo, Souleymane; Adams, Mark A.; Kirichek, Oleg; Glyde, Henry R
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 superfluid 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.
NASA Astrophysics Data System (ADS)
Um, Y. J.; Subedi, A.; Toulemonde, P.; Ganin, A. Y.; Boeri, L.; Rahlenbeck, M.; Liu, Y.; Lin, C. T.; Carlsson, S. J. E.; Sulpice, A.; Rosseinsky, M. J.; Keimer, B.; Le Tacon, M.
2012-02-01
We report on an investigation of the lattice dynamical properties in a range of Fe1+yTe1-xSex compounds, with special emphasis on the c-axis polarized vibration of Fe with B1g symmetry, a Raman active mode common to all families of Fe-based superconductors. We have carried out a systematic study of the temperature dependence of this phonon mode as a function of Se x and excess Fe y concentrations. In parent compound Fe1+yTe, we observe an unconventional broadening of the phonon between room temperature and magnetic ordering temperature TN. The situation smoothly evolves toward a regular anharmonic behavior as Te is substituted for Se and long-range magnetic order is replaced by superconductivity. Irrespective to Se contents, excess Fe is shown to provide an additional damping channel for the B1g phonon at low temperatures. We performed density functional theory ab initio calculations within the local density approximation to calculate the phonon frequencies, including magnetic polarization and Fe nonstoichiometry in the virtual crystal approximation. We obtained a good agreement with the measured phonon frequencies in the Fe-deficient samples, while the effects of Fe excess are poorly reproduced. This may be due to excess Fe-induced local magnetism and low-energy magnetic fluctuations that cannot be treated accurately within these approaches. As recently revealed by neutron scattering and muon spin rotation studies, these phenomena occur in the temperature range where anomalous decay of the B1g phonon is observed and suggests a peculiar coupling of this mode with local moments and spin fluctuations in Fe1+yTe1-xSex.
Phonon modes in cuprates possibly related to the 10 meV ARPES kink
NASA Astrophysics Data System (ADS)
Merritt, Adrian; Park, Seung-Ryong; Castellan, John-Paul; Gu, Genda; Reznik, Dmitry
One of the possible mechanisms of high Tc superconductivity is Cooper pairing with the help of bosons responsible for kinks in electronic dispersion observed by angle-resolved photoemission (ARPES). Up to now most effort has been devoted to the kinks near 70 meV. More recent ARPES experiments revealed an additional energy scale near 10 meV. Since no magnetic excitations peaked at these energies have been identified, the likeliest candidates appear to be phonons. We recently performed measurements of low-energy phonons in a large single crystal sample of optimally-doped 2212 BSCCO. We measured all phonons below 15 meV. There are many branches, in particular an optic branch disperses from 7 meV from the zone center with an anticrossing with an acoustic branch near h =0.2. In addition, there is evidence for a very low energy branch dispersing through 3-4 meV. I will present these results as well as similar data on LSCO and YBCO. A comparison with recent ultrafast optics experiment detecting lattice modes around 10 meV will also be made. This work was supported by the DOE Basic Energy Sciences Neutron Scattering Program.
Phononic crystal surface mode coupling and its use in acoustic Doppler velocimetry.
Cicek, Ahmet; Salman, Aysevil; Kaya, Olgun Adem; Ulug, Bulent
2016-02-01
It is numerically shown that surface modes of two-dimensional phononic crystals, which are Bloch modes bound to the interface between the phononic crystal and the surrounding host, can couple back and forth between the surfaces in a length scale determined by the separation of two surfaces and frequency. Supercell band structure computations through the finite-element method reveal that the surface band of an isolated surface splits into two bands which support either symmetric or antisymmetric hybrid modes. When the surface separation is 3.5 times the lattice constant, a coupling length varying between 30 and 48 periods can be obtained which first increases linearly with frequency and, then, decreases rapidly. In the linear regime, variation of coupling length can be used as a means of measuring speeds of objects on the order of 0.1m/s by incorporating the Doppler shift. Speed sensitivity can be improved by increasing surface separation at the cost of larger device sizes. PMID:26565078
NASA Astrophysics Data System (ADS)
Boukhicha, Mohamed; Calandra, Matteo; Measson, Marie-Aude; Lancry, Ophelie; Shukla, Abhay
2013-05-01
Molybdenum disulfide (MoS2) is a promising material for making two-dimensional crystals and flexible electronic and optoelectronic devices at the nanoscale. MoS2 flakes can show high mobilities and have even been integrated in nanocircuits. A fundamental requirement for such use is efficient thermal transport. Electronic transport generates heat which needs to be evacuated, more crucially so in nanostructures. Anharmonic phonon-phonon scattering is the dominant intrinsic limitation to thermal transport in insulators. Here, using appropriate samples, ultralow energy Raman spectroscopy and first-principles calculations, we provide a full experimental and theoretical description of compression and shear modes of few-layer (FL) MoS2. We demonstrate that the compression modes are strongly anharmonic with a marked enhancement of phonon-phonon scattering as the number of layers is reduced, most likely a general feature of nanolayered materials with weak interlayer coupling.
Chen, Guodong; Zhang, Ruiwen; Sun, Junqiang; Xie, Heng; Gao, Ya; Feng, Danqi; Xiong, Huang
2014-12-29
We propose a scheme for on-chip all optical mode conversion based on forward stimulated Brillouin scattering in a hybrid phononic-photonic waveguide. To describe the mode conversion the theoretical model of the FSBS is established by taking into account the radiation pressure and the electrostriction force simultaneously. The numerical simulation is carried out for the mode conversion from the fundamental mode E11x to the higher-order mode E21x. The results indicate that the mode conversion efficiency is affected by the waveguide length and the input pump light power, and the highest efficiency can reach upto 88% by considering the influence of optical and acoustic absorption losses in the hybrid waveguide. Additionally, the conversion bandwidth with approximate 12.5 THz can be achieved in 1550nm communication band. This mode converter on-chip is a promising device in the integrated optical systems, which can effectively increase the capacity of silicon data busses for on-chip optical interconnections. PMID:25607172
Plasmon and coupled plasmon-phonon modes in graphene in the presence of a driving electric field
NASA Astrophysics Data System (ADS)
Zhao, C. X.; Xu, W.; Dong, H. M.; Peeters, F. M.
2014-05-01
We present a theoretical study of the plasmon and coupled plasmon-phonon modes induced by intraband electron-electron interaction in graphene in the presence of driving dc electric field. We find that the electric field dependence of these collective excitation modes in graphene differs significantly from that in a conventional two-dimensional electron gas with a parabolic energy spectrum. This is due mainly to the fact that graphene has a linear energy spectrum and the Fermi velocity of electrons in graphene is much larger than the drift velocity of electrons. The obtained results demonstrate that the plasmon and coupled plasmon-phonon modes in graphene can be tuned by applying not only the gate voltage but also the source-to-drain field. The manipulation of plasmon and coupled plasmon-phonon modes by source-to-drain voltage can let graphene be more conveniently applied as an advanced plasmonic material.
Evanescent coupling between surface and linear-defect guided modes in phononic crystals
NASA Astrophysics Data System (ADS)
Cicek, Ahmet; Salman, Aysevil; Adem Kaya, Olgun; Ulug, Bulent
2016-01-01
Evanescent coupling between surface and linear-defect waveguide modes in a two-dimensional phononic crystal of steel cylinders in air is numerically demonstrated. When the ratio of scatterer radii to the lattice constant is set to 0.47 in the square phononic crystal, the two types of modes start interacting if there is one-row separation between the surface and waveguide. Supercell band structure computations through the Finite Element Method suggest that the waveguide band is displaced significantly, whereas the surface band remains almost intact when the waveguide and surface are in close proximity. The two resultant hybrid bands are such that the coupling length, which varies between 8 and 22 periods, initially changes linearly with frequency, while a much sharper variation is observed towards the top of the lower hybrid band. Such small values facilitate the design of compact devices based on heterogeneous coupling. Finite-element simulations demonstrate bilateral coupling behaviour, where waves incident from either the surface or waveguide can efficiently couple to the other side. The coupling lengths calculated from simulation results are in agreement with the values predicted from the supercell band structure. The possible utilisation of the coupling scheme in sensing applications, especially in acoustic Doppler velocimetry, is discussed.
The hydrogen-bond network of water supports propagating optical phonon-like modes
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
Elton, Daniel C.; Fernández-Serra, Marivi
2016-01-01
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. PMID:26725363
Woźny, M. Cebulski, J.; Sheregii, E. M.; Marcelli, A.; Piccinini, M.
2015-01-14
We present an experimental investigation of the temperature dependence of the TO-phonon mode frequencies for the HgTe-based II-VI semiconductor solid solutions. In the case of the ternary Hg{sub 0.9}Zn{sub 0.1}Te solid solution was shown a discontinuity in the temperature dependence of the HgTe-like T{sub 0}-mode and of the ZnTe-like T{sub 1}-mode, similar to the Hg{sub 0.85}Cd{sub 0.15}Te system [Sheregii et al., Phys. Rev. Lett. 102, 045504 (2009)]. A generalization of the theoretical temperature shift of the phonon mode frequency as analytic equation is derived that includes both the anharmonic contribution and the electron-phonon e-p interaction which in this case is returnable—the electron subsystem effect on the phonon one. Data show that our equation satisfactorily describes the temperature shift of both Hg{sub 0.85}Cd{sub 0.15}Te and Hg{sub 0.90}Zn{sub 0.10}Te containing Dirac point (E{sub g} ≡ Γ{sub 6} – Γ{sub 8} = 0) although one of the two constants describing the anharmonic shift of the HgTe-like mode should be positive what is abnormal too. In the case of the Hg{sub 0.80}Cd{sub 0.20}Te and Hg{sub 0.763}Zn{sub 0.237}Te solid solution, the role of the returnable e-p contribution is negligible but a positive temperature shift for the HgTe-like modes occurs. This result does not allow to explain the positive temperature shift of these modes merely by the contribution of the (e-p) interaction. Indeed, the relativistic contribution to the chemical bonds induces an abnormal temperature shift of the electron states in Hg-based semiconductors—the effect is expected since the Hg d spin-orbit split contribution to chemical bonds may lead to an abnormal temperature shift of the HgTe-like modes.
Microscopic theory of cooperative spin crossover: Interaction of molecular modes with phonons
NASA Astrophysics Data System (ADS)
Palii, Andrew; Ostrovsky, Serghei; Reu, Oleg; Tsukerblat, Boris; Decurtins, Silvio; Liu, Shi-Xia; Klokishner, Sophia
2015-08-01
In this article, we present a new microscopic theoretical approach to the description of spin crossover in molecular crystals. The spin crossover crystals under consideration are composed of molecular fragments formed by the spin-crossover metal ion and its nearest ligand surrounding and exhibiting well defined localized (molecular) vibrations. As distinguished from the previous models of this phenomenon, the developed approach takes into account the interaction of spin-crossover ions not only with the phonons but also a strong coupling of the electronic shells with molecular modes. This leads to an effective coupling of the local modes with phonons which is shown to be responsible for the cooperative spin transition accompanied by the structural reorganization. The transition is characterized by the two order parameters representing the mean values of the products of electronic diagonal matrices and the coordinates of the local modes for the high- and low-spin states of the spin crossover complex. Finally, we demonstrate that the approach provides a reasonable explanation of the observed spin transition in the [Fe(ptz)6](BF4)2 crystal. The theory well reproduces the observed abrupt low-spin → high-spin transition and the temperature dependence of the high-spin fraction in a wide temperature range as well as the pronounced hysteresis loop. At the same time within the limiting approximations adopted in the developed model, the evaluated high-spin fraction vs. T shows that the cooperative spin-lattice transition proves to be incomplete in the sense that the high-spin fraction does not reach its maximum value at high temperature.
Microscopic theory of cooperative spin crossover: Interaction of molecular modes with phonons
Palii, Andrew E-mail: klokishner@yahoo.com; Ostrovsky, Serghei; Reu, Oleg; Klokishner, Sophia E-mail: klokishner@yahoo.com; Tsukerblat, Boris; Decurtins, Silvio; Liu, Shi-Xia
2015-08-28
In this article, we present a new microscopic theoretical approach to the description of spin crossover in molecular crystals. The spin crossover crystals under consideration are composed of molecular fragments formed by the spin-crossover metal ion and its nearest ligand surrounding and exhibiting well defined localized (molecular) vibrations. As distinguished from the previous models of this phenomenon, the developed approach takes into account the interaction of spin-crossover ions not only with the phonons but also a strong coupling of the electronic shells with molecular modes. This leads to an effective coupling of the local modes with phonons which is shown to be responsible for the cooperative spin transition accompanied by the structural reorganization. The transition is characterized by the two order parameters representing the mean values of the products of electronic diagonal matrices and the coordinates of the local modes for the high- and low-spin states of the spin crossover complex. Finally, we demonstrate that the approach provides a reasonable explanation of the observed spin transition in the [Fe(ptz){sub 6}](BF{sub 4}){sub 2} crystal. The theory well reproduces the observed abrupt low-spin → high-spin transition and the temperature dependence of the high-spin fraction in a wide temperature range as well as the pronounced hysteresis loop. At the same time within the limiting approximations adopted in the developed model, the evaluated high-spin fraction vs. T shows that the cooperative spin-lattice transition proves to be incomplete in the sense that the high-spin fraction does not reach its maximum value at high temperature.
Pseudospin lifetime in relaxed-shape armchair graphene nanoribbons due to in-plane phonon modes
NASA Astrophysics Data System (ADS)
Prabhakar, Sanjay; Melnik, Roderick; Bonilla, Luis
2016-03-01
We study the influence of ripple waves on the band structures of strained armchair graphene nanoribbons. We argue that the Zeeman pseudospin (p-spin) splitting energy induced by ripple waves might not be neglected for smaller widths of armchair graphene nanoribbons (GNRs). We show that the p-spin splitting energy breaks the symmetry of degeneracy due to the ripple-induced Zeeman effect in GNRs, originating from electromechanical coupling. We estimate the p-spin lifetime in strained armchair GNRs caused by in-plane phonon modes for possible applications in straintronics and quantum information processing. By considering higher order terms in the strain tensor expansion, we also demonstrate that highly asymmetric band structures of GNRs induce asymmetric phonon-mediated p-spin relaxation. Such asymmetric p-spin relaxation is not possible for unstrained armchair and zigzag GNRs. In particular, we report that the p-spin transition rate decreases like B05 (as a function of p-magnetic fields), L-9 (as a function of GNR width) and τe-1, where τe is the externally applied tensile edge stress.
The hydrogen bond network of water supports propagating optical phonon-like modes
NASA Astrophysics Data System (ADS)
Elton, Daniel; Fernadez-Serra, Marivi
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. Vibrational modes in liquids are usually considered to be associated to the motions of single molecules or small clusters. Previously, the librational Raman peaks of water were assigned to the librational motions of single molecules. By comparing experimental Raman and IR spectra we show these assignments are problematic. Using molecular dynamics simulations we study the k-dependent dielectric susceptibility of water. We find dispersive optical phonon-like modes in water's 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 two nanometers. In the long wavelength limit these optical modes exhibit longitudinal-transverse splitting, indicating the presence of coherent long range dipole-dipole interactions. Studying how LO-TO splitting evolves with temperature may yield insight into how local structure changes. Our results indicate the dynamics of liquid water have more similarities to ice than previously thought. Reference: arXiv:1507.06363 This work was partially supported by DOE Award No. DE-FG02-09ER16052 (D.C.E.) and by DOE Early Career Award No. DE-SC0003871 (M.V.F.S.).
NASA Astrophysics Data System (ADS)
Shi, Jun-Jie; Chu, Xing-Li; Goldys, E. M.
2004-09-01
The equation of motion for the p -polarization field in an arbitrary wurtzite multilayer heterostructure is solved for the propagating optical-phonon (POP) modes in the framework of the dielectric-continuum model and Loudon’s uniaxial crystal model. The polarization eigenvector, the dispersion relation, and the electron-propagating-phonon (EPP) interaction Fröhlich-like Hamiltonian are derived. The analytical formulas can be directly applied to single heterojunctions, single and multiple quantum wells (QW’s), and superlattices. The dispersion relations of the POP modes and the EPP coupling functions are investigated for a given GaN/Al0.15Ga0.85N single QW with full account of the strains of QW structures and the anisotropy effects of wurtzite crystals. We find that there are infinite POP branches, which can be denoted by a quantum number n(n=1,2,…) , with definite symmetry with respect to the center of symmetry of the QW structure. The dispersion of the POP modes with smaller n is more obvious than for larger n . Moreover, the modes with smaller n are much more important for the EPP interactions than the modes with larger n . In most cases, it is enough to consider the modes with n=1,2,…,10 for the EPP interactions in a single QW. The long-wavelength POP modes are much more important for the EPP interactions. Furthermore, the strain effects of the QW structures have a strong influence on the dispersion of the POP modes. The strength of the EPP interactions is markedly increased due to the strains of the QW structures.
The evolution of interface phonon polariton modes in a finite superlattice with a structural defect
NASA Astrophysics Data System (ADS)
He, Meng-Dong; Wang, Ling-Ling; Huang, Wei-Qing; Wang, Xin-Jun; Zou, Bing-Suo
2006-12-01
Using a transfer matrix method, we derive the dispersion equation for interface phonon-polariton modes (IPPMs) in a finite superlattice (SL) with a structural defect. The numerical results show that, in the nonradiative regime, there exist localized IPPMs (including retardation) inside or outside the Reststrahlen regions defined by the interval [ωTO, ωLO]. The localized IPPMs lie either in the minigaps or below and above the bulk bands, and their transversal electric field amplitudes are located in the vicinity of the defect layer or surface layers. The evolution of the IPPMs localized in the vicinity of a different interface can clearly be tracked. In addition, a brief analysis that radiative IPPMs evolve into nonradiative IPPMs is given.
NASA Astrophysics Data System (ADS)
Petrović, A. P.; Lortz, R.; Santi, G.; Decroux, M.; Monnard, H.; Fischer, Ø.; Boeri, L.; Andersen, O. K.; Kortus, J.; Salloum, D.; Gougeon, P.; Potel, M.
2010-12-01
We present electronic-structure calculations, electrical resistivity data, and the first specific-heat measurements in the normal and superconducting states of quasi-one-dimensional M2Mo6Se6 (M=Tl,In,Rb) . Rb2Mo6Se6 undergoes a metal-insulator transition at ˜170K : electronic-structure calculations indicate that this is likely to be driven by the formation of a dynamical charge-density wave. However, Tl2Mo6Se6 and In2Mo6Se6 remain metallic down to low temperature, with superconducting transitions at Tc=4.2K and 2.85 K, respectively. The absence of any metal-insulator transition in these materials is due to a larger in-plane bandwidth, leading to increased interchain hopping which suppresses the density wave instability. Electronic heat-capacity data for the superconducting compounds reveal an exceptionally low density of states DEF=0.055 states eV-1atom-1 , with BCS fits showing 2Δ/kBTc≥5 for Tl2Mo6Se6 and 3.5 for In2Mo6Se6 . Modeling the lattice specific heat with a set of Einstein modes, we obtain the approximate phonon density of states F(ω) . Deconvolving the resistivity for the two superconductors then yields their electron-phonon transport coupling function αtr2F(ω) . In Tl2Mo6Se6 and In2Mo6Se6 , F(ω) is dominated by an optical “guest ion” mode at ˜5meV and a set of acoustic modes from ˜10 to 30 meV. Rb2Mo6Se6 exhibits a similar spectrum; however, the optical phonon has a lower intensity and is shifted to ˜8meV . Electrons in Tl2Mo6Se6 couple strongly to both sets of modes, whereas In2Mo6Se6 only displays significant coupling in the 10-18 meV range. Although pairing is clearly not mediated by the guest ion phonon, we believe it has a beneficial effect on superconductivity in Tl2Mo6Se6 , given its extraordinarily large coupling strength and higher Tc compared to In2Mo6Se6 .
NASA Astrophysics Data System (ADS)
Thatcher, Evan; Stanton, Christopher; Ishioka, Kunie; Basak, Amlan; Petek, Hrvoje
2015-03-01
We present results from a joint experimental and theoretical study exploring the excitation of coupled plasmon-phonon modes in GaAs. In contrast to previous coherent phonon studies in GaAs where electrons were generated primarily in the Γ valley (E0 gap), we use a pump-probe technique with a 10 fs pulse width and a shorter 400 nm laser wavelength to photoexcite electrons predominately in the L valley (E1 gap). As a result: i) damping of the electron-hole plasma is faster and ii) diffusion of the carriers from the surface becomes important owing to the shorter absorption length. The probe pulses measure the time-dependent changes to the reflectivity due to the coupled plasmon-phonon modes created by the ultrafast photoexcitation and the subsequent depletion field screening. To model this, we solve for the time and density dependent coupled-mode frequencies allowing for ambipolar diffusion. Simulation of the coupled plasmon-phonon dynamics allows for comparison with, and a better understanding of experiments. Supported by the NSF through Grants CHE-0650756, DMR-1311845, and DMR-1311849.
NASA Astrophysics Data System (ADS)
Jin, Yabin; Fernez, Nicolas; Pennec, Yan; Bonello, Bernard; Moiseyenko, Rayisa P.; Hémon, Stéphanie; Pan, Yongdong; Djafari-Rouhani, Bahram
2016-02-01
We investigate the properties of a phononic crystal plate with hollow pillars and introduce the existence of whispering-gallery modes (WGMs). We show that by tuning the inner radius of the hollow pillar, these modes can merge inside both Bragg and low frequency band gaps, deserving phononic crystal and acoustic metamaterial applications. These modes can be used as narrow pass bands for which the quality factor can be greatly enhanced by the introduction of an additional cylinder between the hollow cylinder and the plate. We discuss some functionalities of these confined WGM in both Bragg and low frequency gaps for wavelength division in multiplexer devices using heteroradii pillars introduced into waveguide and cavity structures.
Goldstone-Mode Phonon Dynamics in the Pyrochlore Cd_{2}Re_{2}O_{7}
Kendziora, C. A.; Sergienko, I. A.; Jin, Rongying; He, Jian; Keppens, Veerle; Sales, Brian C; Mandrus, David
2005-01-01
We have measured the polarized Raman scattering spectra of Cd{sub 2}Re{sub 2}O{sub 7}, the first superconducting pyrochlore, as a function of temperature. For temperatures below the cubic-to-tetragonal structural phase transition (SPT) at 200 K, a peak with B{sub 1} symmetry develops at zero frequency with divergent intensity. We identify this peak as the first observation of the Goldstone phonon in a crystalline solid. The Goldstone phonon is a collective excitation that exists due to the breaking of the continuous symmetry with the SPT. Its emergence coincides with that of a Raman-active soft mode. The order parameter for both features derives from an unstable doubly degenerate vibration (with E{sub u} symmetry) of the O1 atoms which drives the SPT.
Islam, Syed K.; Lombardi, John R.
2014-02-21
By chemically etching a thin film of crystalline ZnSe with acid, we observe a strong Raman enhancement of the surface phonon modes of ZnSe on adsorption of a molecule (4-mercaptopyridine). The surface is composed of oblate hemi-ellipsoids, which has a large surface-to-bulk ratio. The assignment of the observed modes (at 248 and 492 cm{sup −1}) to a fundamental and first overtone of the surface optical mode is consistent with observations from high-resolution electron energy loss spectroscopy as well as calculations.
Yoshida, Kyohei; Hachiya, Kan; Okumura, Kensuke; Mishima, Kenta; Inukai, Motoharu; Torgasin, Konstantin; Omer, Mohamed; Sonobe, Taro; Zen, Heishun; Negm, Hani; Kii, Toshiteru; Masuda, Kai; Ohgaki, Hideaki
2013-10-28
Mode-selective phonon excitation by a mid-infrared laser (MIR-FEL) is demonstrated via anti-Stokes Raman scattering measurements of 6H-silicon carbide (SiC). Irradiation of SiC with MIR-FEL and a Nd-YAG laser at 14 K produced a peak where the Raman shift corresponds to a photon energy of 119 meV (10.4 μm). This phenomenon is induced by mode-selective phonon excitation through the irradiation of MIR-FEL, whose photon energy corresponds to the photon-absorption of a particular phonon mode.
Zhao Degang; Liu Zhengyou; Qiu Chunyin; He Zhaojian; Cai Feiyan; Ke Manzhu
2007-10-01
In this paper, we have demonstrated the existence of surface acoustic waves in two-dimensional phononic crystals with fluid matrix, which is composed of a square array of steel cylinders put in air background. By using the supercell method, we investigate the dispersion relation and the eigenfield distribution of surface modes. Surface waves can be easily excited at the surface of a finite size phononic crystal by line source or Gaussian beam placed in or launched from the background medium, and they propagate along the surface with the form of 'beat.' Taking advantage of these surface modes, we can obtain a highly directional emission wave beam by introducing an appropriate corrugation layer on the surface of a waveguide exit.
Anharmonicity in the High-Temperature Cmcm Phase of SnSe: Soft Modes and Three-Phonon Interactions.
Skelton, Jonathan M; Burton, Lee A; Parker, Stephen C; Walsh, Aron; Kim, Chang-Eun; Soon, Aloysius; Buckeridge, John; Sokol, Alexey A; Catlow, C Richard A; Togo, Atsushi; Tanaka, Isao
2016-08-12
The layered semiconductor SnSe is one of the highest-performing thermoelectric materials known. We demonstrate, through a first-principles lattice-dynamics study, that the high-temperature Cmcm phase is a dynamic average over lower-symmetry minima separated by very small energetic barriers. Compared to the low-temperature Pnma phase, the Cmcm phase displays a phonon softening and enhanced three-phonon scattering, leading to an anharmonic damping of the low-frequency modes and hence the thermal transport. We develop a renormalization scheme to quantify the effect of the soft modes on the calculated properties, and confirm that the anharmonicity is an inherent feature of the Cmcm phase. These results suggest a design concept for thermal insulators and thermoelectric materials, based on displacive instabilities, and highlight the power of lattice-dynamics calculations for materials characterization. PMID:27563974
NASA Astrophysics Data System (ADS)
Zhao, Degang; Liu, Zhengyou; Qiu, Chunyin; He, Zhaojian; Cai, Feiyan; Ke, Manzhu
2007-10-01
In this paper, we have demonstrated the existence of surface acoustic waves in two-dimensional phononic crystals with fluid matrix, which is composed of a square array of steel cylinders put in air background. By using the supercell method, we investigate the dispersion relation and the eigenfield distribution of surface modes. Surface waves can be easily excited at the surface of a finite size phononic crystal by line source or Gaussian beam placed in or launched from the background medium, and they propagate along the surface with the form of “beat.” Taking advantage of these surface modes, we can obtain a highly directional emission wave beam by introducing an appropriate corrugation layer on the surface of a waveguide exit.
Kumar, Pragati Agarwal, Avinash; Saxena, Nupur; Singh, Fouran; Gupta, Vinay
2014-07-28
The influence of swift heavy ion irradiation (SHII) on surface phonon mode (SPM) and green emission in nanocrystalline CdS thin films grown by chemical bath deposition is studied. The SHII of nanocrystalline CdS thin films is carried out using 70 MeV Ni ions. The micro Raman analysis shows that asymmetry and broadening in fundamental longitudinal optical (LO) phonon mode increases systematically with increasing ion fluence. To analyze the role of phonon confinement, spatial correlation model (SCM) is fitted to the experimental data. The observed deviation of SCM to the experimental data is further investigated by fitting the micro Raman spectra using two Lorentzian line shapes. It is found that two Lorentzian functions (LFs) provide better fitting than SCM fitting and facilitate to identify the contribution of SPM in the observed distortion of LO mode. The behavior of SPM as a function of ion fluence is studied to correlate the observed asymmetry (Γ{sub a}/Γ{sub b}) and full width at half maximum of LO phonon mode and to understand the SHII induced enhancement of SPM. The ion beam induced interstitial and surface state defects in thin films, as observed by photoluminescence (PL) spectroscopy studies, may be the underlying reason for enhancement in SPM. PL studies also show enhancement in green luminescence with increase in ion fluence. PL analysis reveals that the variation in population density of surface state defects after SHII is similar to that of SPM. The correlation between SPM and luminescence and their dependence on ion irradiation fluence is explained with the help of thermal spike model.
Neutron scattering from coupled phonon-impurity modes in KCl/sub 1-c/(KCN)/sub c/
Nicklow, R.M.; Crummett, W.P.; Mostoller, M.; Wood, R.F.
1980-09-15
The hybridization of host-lattice phonons with the internal-energy states of CN/sup -/ impurities in KCl has been studied by inelastic neutron scattering as a function of temperature between 10 and 100 K for samples with impurity concentrations in the range c=0.4 to 6 at. %. A temperature- and concentration-dependent coupling between phonons with E/sub g/ symmetry and the E/sub g/ transitions of CN/sup -/ ions is observed near a frequency of 0.5 THz, a value which is consistent with the energy-level spacings for CN/sup -/ in KCl as deduced by Beyeler. However, an expected coupling of phonons and CN/sup -/ transitions with T/sub 2g/ symmetry near the same frequency was not detected. A simple two-level model for the CN/sup -/ impurity provides a rather good description of the data for the E/sub g/ coupled modes for c<2 at. %, but it deviates significantly for larger concentrations. Quasielastic scattering, which has a strong dependence on impurity concentration, temperature, and phonon wave vector, is also observed.
NASA Astrophysics Data System (ADS)
Gu, Chunlong; Jin, Feng
2016-05-01
Point defect modes in a 2D phononic crystal with giant magnetostrictive material tuned by a magnetic field and compressive stress are investigated theoretically in this study. The 3D magnetostrictive constitutive model proposed by Liu and Zheng (2005 Acta Mech. Sin. 21 278-85) is adopted to develop effective elastic, piezomagnetic, and magnetic permeability constants. The finite element method, in combination with a supercell technique, is then applied to obtain the band structures and transmission spectra of the point defect modes in a 2D phononic crystal composed of Terfenol-D rods of circular cross section embedded in a polymethyl methacrylate matrix with a square lattice. The magnetic field not only enlarges the first band gap (FBG) but also opens up a new band gap of XY modes. New point defect modes are simultaneously trapped in the band gaps. The width of the FBG and the frequencies of the point defects of the Z mode decrease as the magnetic field increases.
Studies of transverse phonon modes in premartensitic indium-thallium alloys
Finlayson, T.R.; Donovan, D.; Larese, J.Z.; Smith, H.G.
1987-01-01
The measured phonon dispersion relations along the high symmetry directions for a face-centered In-Tl alloy have been reasonably well fitted using a general Born-von Karman force constant model. However, for the (zeta zeta 0)(zeta anti zeta 0) branch at low zeta, there is poor agreement between the neutron measurements and the extrapolation of the line of initial slope determined from an ultrasonic velocity measurements. Phonon frequencies have been measured for wave vectors to within q = 0.033 (..sqrt..2 2..pi../a) of the zone centre, and, contrary to the phonon softening with decreasing temperature, which might be expected from the known decrease in (C/sub 11/ - C/sub 12/)/2, phonon frequencies showed the normal trend of frequency increasing (hardening) as temperature was decreased in the premartensitic regime. To reconcile the disagreement between the extrapolation of the ultrasonic data and the measured (zeta zeta0)(zeta anti zeta 0) phonon frequencies, there must exist a positive curvature in the dispersion relation at q < 0.03 (..sqrt..2 2..pi../a). This is consistent with one recent theory for martensite nucleation. 10 refs., 2 figs.
NASA Astrophysics Data System (ADS)
Raeliarijaona, Aldo; Fu, Huaxiang
2015-09-01
Ultraviolet Raman spectroscopy revealed the existence of an unusual large-frequency shift occurring to a nonsoft mode of E (TO4 ) when BaTiO3 is strained to a SrTiO3 substrate [D. Tenne et al., Science 313, 1614 (2006), 10.1126/science.1130306]. It raised two interesting questions: (i) whether there are other nonsoft modes that possess similar or even larger strain-induced frequency shifts and (ii) how the mode sequence is altered by these shifts in frequency. Note that mode sequence is also pivotal in correctly indexing and assigning the spectroscopy peaks observed in all Raman experiments. By mapping out the evolutions of individual phonon modes as a function of strain using first-principles density functional perturbation calculations, we determine the mode sequence and strain-induced phonon frequency shifts in prototypical BaTiO3. Our study reveals that the mode sequence is drastically different when BaTiO3 is strained to SrTiO3 compared to that in the unstrained structure, caused by multiple mode crossings. Furthermore, we predict that three other nonsoft modes, A1(TO2), E (LO4 ), and A1(TO3), display even larger strain-induced frequency shifts than E (TO4 ). The strain responses of individual modes are found to be highly mode specific, and a mechanism that regulates the magnitude of the frequency shift is provided. As another key outcome of this study, we tackle a long-standing problem of LO-TO splitting in ferroelectrics. A rigorous definition for the LO-TO splitting is formulated, which allows this critical quantity to be calculated quantitatively. The definition immediately reveals a new finding; that is, a large LO-TO splitting not only exists for E (LO4 ), which is previously known and originates from a soft mode, it also occurs for a nonsoft A1(LO3) mode. The LO-TO splitting is shown to decrease drastically with compressive strain, and this decrease cannot be explained by the Born effective charges and high-frequency dielectric constants.
NASA Astrophysics Data System (ADS)
Marchal, R.; Boyko, O.; Bonello, B.; Zhao, J.; Belliard, L.; Oudich, M.; Pennec, Y.; Djafari-Rouhani, B.
2012-12-01
The confinement of elastic waves within a single defect in a phononic crystal slab is investigated both experimentally and theoretically. The structure is formed by a honeycomb lattice of air holes in a silicon plate with one hole missing in its center. The frequencies and polarizations of the localized modes in the first band gap are computed with a finite element method. A noncontact laser ultrasonic technique is used both to excite flexural Lamb waves and to monitor in situ the displacement field within the cavity. We report on the time evolution of confinement, which is distinct according to the symmetry of the eigenmode.
Ignatov, Anatoly A.
2014-08-28
The current (voltage) responsivity of a superlattice-based diode detector has been studied theoretically in the terahertz frequency band that includes the region of the polar-optical phonon frequencies. Within the framework of an equivalent circuit approach, the electro-dynamical model which allows one to analyze the responsivity taking into account the hybridization of the plasma and polar-optical phonon modes both in the substrate and in the cladding layers of the diode has been suggested. It has been shown that the presence of the plasma and polar-optical phonon modes gives rise to strong features in the frequency dependence of the responsivity, i.e., to the resonance dips and peaks at frequencies of hybridized plasmons and polar-optical phonons. It has been suggested that by judicious engineering of the superlattice-based diodes, it would be possible to enhance substantially their responsivity in the terahertz frequency band.
Infrared probe of spin-phonon coupling in antiferromagnetic honeycomb lattice compound Li2MnO3
NASA Astrophysics Data System (ADS)
Song, Seungjae; Lee, Sanghyun; Jeon, Seyoung; Park, Je-Geun; Moon, S. J.
2015-12-01
We investigated temperature-dependent infrared-active phonon modes of honeycomb Li2MnO3 which shows an antiferromagnetic transition at T N = 36 K. In the far-infrared frequency region, we observed fourteen phonon modes. We obtained the temperature dependence of each phonon mode from the analysis of optical conductivity spectra by using the Lorentz and the Fano-type oscillator models. We found that the resonance frequencies of nine phonon modes showed an anomalous behavior near T N that should be attributed to the spin-phonon coupling. We calculated the magnitude of the spin-phonon coupling constant from the shift in the resonance frequencies of the phonon modes below T N. Our results suggest that Li2MnO3 is weakly frustrated and that spin-phonon coupling plays a role in antiferromagnetic ordering.
Yang, Chengliang; Wu, Qiang; Xu, Jingjun; Nelson, Keith A; Werley, Christopher A
2010-12-01
Femtosecond optical pulses were used to generate THz-frequency phonon polariton waves in a 50 micrometer lithium niobate slab, which acts as a subwavelength, anisotropic planar waveguide. The spatial and temporal electric field profiles of the THz waves were recorded for different propagation directions using a polarization gating imaging system, and experimental dispersion curves were determined via a two-dimensional Fourier transform. Dispersion relations for an anisotropic slab waveguide were derived via analytical analysis and found to be in excellent agreement with all observed experimental modes. From the dispersion relations, we analyze the propagation-direction-dependent behavior, effective refractive index values, and generation efficiencies for THz-frequency modes in the subwavelength, anisotropic slab waveguide. PMID:21164986
Vasin, A. S.; Vikhrova, O. V.; Vasilevskiy, M. I.
2014-04-14
Confinement and alloy disorder effects on the lattice dynamics and Raman scattering in Si{sub 1−x}Ge{sub x} nanocrystals (NCs) are investigated numerically employing two different empirical inter-atomic potentials. Relaxed NCs of different compositions (x) were built using the Molecular Dynamics method and applying rigid boundary conditions mimicking the effect of surrounding matrix. The resulting variation of bond lengths with x was checked against Vegard's law and the NC phonon modes were calculated using the same inter-atomic potential. The localization of the principal Raman-active (Si-Si, Si-Ge, and Ge-Ge) modes is investigated by analysing representative eigenvectors and their inverse participation ratio. The dependence of the position and intensity of these modes upon x and NC size is presented and compared to previous calculated results and available experimental data. In particular, it is argued that the composition dependence of the intensity of the Si-Ge and Ge-Ge modes does not follow the fraction of the corresponding nearest-neighbour bonds as it was suggested by some authors. Possible effects of alloy segregation are considered by comparing the calculated properties of random and clustered Si{sub x}Ge{sub 1−x} NCs. It is found that the Si-Si mode and Ge-Ge mode are enhanced and blue-shifted (by several cm{sup −1}for the Si-Si mode), while the intensity of the Si-Ge Raman mode is strongly suppressed by clustering.
Tkach, N. V. 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 temperature 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.
Parshall, D.; Pintschovius, L.; Niedziela, Jennifer L.; Castellan, J. -P.; Lamago, D.; Mittal, R.; Wolf, Th.; Reznik, Dmitry
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 BaFe2As2 and SrFe2As2. 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
Phonons and hybrid modes in the high and low temperature far infrared dynamics of hexagonal TmMnO3.
Massa, Néstor E; del Campo, Leire; De Sousa Meneses, Domingos; Echegut, Patrick; Martínez-Lope, María Jesús; Alonso, José Antonio
2014-07-01
We report on temperature dependent TmMnO3 far infrared emissivity and reflectivity spectra from 1910 K to 4 K. At the highest temperature the number of infrared bands is lower than that predicted for centrosymmetric P63/mmc (D(4)(6h)) (Z = 2) space group due to high temperature anharmonicity and possible defect induced bitetrahedra misalignments. On cooling, at ~1600 ± 40 K, TmMnO3 goes from non-polar to an antiferroelectric-ferroelectric polar phase reaching the ferroelectric onset at ~700 K. Room temperature reflectivity is fitted using 19 oscillators and this number of phonons is maintained down to 4 K. A weak phonon anomaly in the band profile at 217 cm(-1) (4 K) suggests subtle Rare Earth magneto-electric couplings at ~TN and below. A low energy collective excitation is identified as a THz instability associated with room temperature eg electrons in a d-orbital fluctuating environment. It condenses into two modes that emerge pinned to the E-type antiferromagnetic order hardening simultaneously down to 4 K. They obey power laws with TN as the critical temperature and match known zone center magnons. The one peaking at 26 cm(-1), with critical exponent β=0.42 as for antiferromagnetic order in a hexagonal lattice, is dependent on the Rare Earth ion. The higher frequency companion at ~50 cm(-1), with β=0.25, splits at ~TN into two peaks. The weaker band of the two is assimilated to the upper branch of the gap opening in the transverse acoustical (TA) phonon branch crossing the magnetic dispersion found in YMnO3. (Petit et al 2007 Phys. Rev. Lett. 99 266604). The stronger second band at ~36 cm(-1) corresponds to the lower branch of the TA gap. We assign both excitations as zone center magneto-electric hybrid quasiparticles, concluding that in NdMnO3 perovskite the equivalent picture corresponds to an instability which may be driven by an external field to transform NdMnO3 into a multiferroic compound by perturbation enhancing the TA
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.
Phonon Transport at Crystalline Si/Ge Interfaces: The Role of Interfacial Modes of Vibration
NASA Astrophysics Data System (ADS)
Gordiz, Kiarash; Henry, Asegun
2016-03-01
We studied the modal contributions to heat conduction at crystalline Si and crystalline Ge interfaces and found that more than 15% of the interface conductance arises from less than 0.1% of the modes in the structure. Using the recently developed interface conductance modal analysis (ICMA) method along with a new complimentary methodology, we mapped the correlations between modes, which revealed that a small group of interfacial modes, which exist between 12–13 THz, exhibit extremely strong correlation with other modes in the system. It is found that these interfacial modes (e.g., modes with large eigen vectors for interfacial atoms) are enabled by the degree of anharmonicity near the interface, which is higher than in the bulk, and therefore allows this small group of modes to couple to all others. The analysis sheds light on the nature of localized vibrations at interfaces and can be enlightening for other investigations of localization.
Phonon Transport at Crystalline Si/Ge Interfaces: The Role of Interfacial Modes of Vibration
Gordiz, Kiarash; Henry, Asegun
2016-01-01
We studied the modal contributions to heat conduction at crystalline Si and crystalline Ge interfaces and found that more than 15% of the interface conductance arises from less than 0.1% of the modes in the structure. Using the recently developed interface conductance modal analysis (ICMA) method along with a new complimentary methodology, we mapped the correlations between modes, which revealed that a small group of interfacial modes, which exist between 12–13 THz, exhibit extremely strong correlation with other modes in the system. It is found that these interfacial modes (e.g., modes with large eigen vectors for interfacial atoms) are enabled by the degree of anharmonicity near the interface, which is higher than in the bulk, and therefore allows this small group of modes to couple to all others. The analysis sheds light on the nature of localized vibrations at interfaces and can be enlightening for other investigations of localization. PMID:26979787
Phonon Transport at Crystalline Si/Ge Interfaces: The Role of Interfacial Modes of Vibration.
Gordiz, Kiarash; Henry, Asegun
2016-01-01
We studied the modal contributions to heat conduction at crystalline Si and crystalline Ge interfaces and found that more than 15% of the interface conductance arises from less than 0.1% of the modes in the structure. Using the recently developed interface conductance modal analysis (ICMA) method along with a new complimentary methodology, we mapped the correlations between modes, which revealed that a small group of interfacial modes, which exist between 12-13 THz, exhibit extremely strong correlation with other modes in the system. It is found that these interfacial modes (e.g., modes with large eigen vectors for interfacial atoms) are enabled by the degree of anharmonicity near the interface, which is higher than in the bulk, and therefore allows this small group of modes to couple to all others. The analysis sheds light on the nature of localized vibrations at interfaces and can be enlightening for other investigations of localization. PMID:26979787
NASA Astrophysics Data System (ADS)
Rosenstein, Baruch; Shapiro, B. Ya.; Shapiro, I.; Li, Dingping
2016-07-01
Pairing in one-atomic-layer-thick two-dimensional electron gas (2DEG) by a single flat band of high-energy longitudinal optical phonons is considered. The polar dielectric SrTiO3 (STO) exhibits such an energetic phonon mode and the 2DEG is created both when one unit cell FeSe layer is grown on its (100 ) surface and on the interface with another dielectric like LaAlO3 (LAO). We obtain a quantitative description of both systems solving the gap equation for Tc for arbitrary Fermi energy ɛF, electron-phonon coupling λ , and the phonon frequency Ω , and direct (random-phase approximation) electron-electron repulsion strength α . The focus is on the intermediate region between the adiabatic, ɛF>>Ω , and the nonadiabatic, ɛF<<Ω , regimes. The high-temperature superconductivity in single-unit-cell FeSe/STO is possible due to a combination of three factors: high-longitudinal-optical phonon frequency, large electron-phonon coupling λ ˜0.5 , and huge dielectric constant of the substrate suppression the Coulomb repulsion. It is shown that very low density electron gas in the interfaces is still capable of generating superconductivity of the order of 0.1 K in LAO/STO.
NASA Astrophysics Data System (ADS)
Lan, Guoqiang; Ouyang, Bin; Xu, Yushuai; Song, Jun; Jiang, Yong
2016-06-01
Rare-earth (RE) pyrochlores are considered as promising candidate materials for the thermal barrier coating. In this study, we performed first-principles calculations, augmented by quasi-harmonic phonon calculations, to investigate the thermal expansion behaviors of several RE2Zr2O7 (RE = La, Nd, Sm, Gd) pyrochlores. Our findings show that RE2Zr2O7 pyrochlores exhibit low-lying optical phonon frequencies that correspond to RE-cation rattling vibrational modes. These frequencies become imaginary upon volume expansion, preventing correct determination of the free energy versus volume relation and thereby quantification of thermal expansion using QH phonon calculations. To address this challenge, we proposed a QH approximation approach based on stable phonon modes where the RE-cation rattling modes were systematically eliminated. This approach is shown to provide accurate predictions of the coefficients of thermal expansion (CTEs) of RE2Zr2O7 pyrochlores, in good agreement with experimental measurements and data from first-principles molecular dynamics simulations. In addition, we showed that the QH Debye model considerably overestimates the magnitudes and wrongly predicts the trend for the CTEs of RE2Zr2O7 pyrochlores.
Softening of Roton and Phonon Modes in a Bose-Einstein Condensate with Spin-Orbit Coupling
NASA Astrophysics Data System (ADS)
Ji, Si-Cong; Zhang, Long; Xu, Xiao-Tian; Wu, Zhan; Deng, Youjin; Chen, Shuai; Pan, Jian-Wei
2015-03-01
Roton-type excitations usually emerge from strong correlations or long-range interactions, as in superfluid helium or dipolar ultracold atoms. However, in a weakly short-range interacting quantum gas, the recently synthesized spin-orbit (SO) coupling can lead to various unconventional phases of superfluidity and give rise to an excitation spectrum of roton-maxon character. Using Bragg spectroscopy, we study a SO-coupled Bose-Einstein condensate of 87Rb atoms and show that the excitation spectrum in a "magnetized" phase clearly possesses a two-branch and roton-maxon structure. As Raman coupling strength Ω is decreased, a roton-mode softening is observed, as a precursor of the phase transition to a stripe phase that spontaneously breaks spatially translational symmetry. The measured roton gaps agree well with theoretical calculations. Furthermore, we determine sound velocities both in the magnetized and in the nonmagnetized phases, and a phonon-mode softening is observed around the phase transition in between. The validity of the f -sum rule is examined.
Softening of roton and phonon modes in a Bose-Einstein condensate with spin-orbit coupling.
Ji, Si-Cong; Zhang, Long; Xu, Xiao-Tian; Wu, Zhan; Deng, Youjin; Chen, Shuai; Pan, Jian-Wei
2015-03-13
Roton-type excitations usually emerge from strong correlations or long-range interactions, as in superfluid helium or dipolar ultracold atoms. However, in a weakly short-range interacting quantum gas, the recently synthesized spin-orbit (SO) coupling can lead to various unconventional phases of superfluidity and give rise to an excitation spectrum of roton-maxon character. Using Bragg spectroscopy, we study a SO-coupled Bose-Einstein condensate of ^{87}Rb atoms and show that the excitation spectrum in a "magnetized" phase clearly possesses a two-branch and roton-maxon structure. As Raman coupling strength Ω is decreased, a roton-mode softening is observed, as a precursor of the phase transition to a stripe phase that spontaneously breaks spatially translational symmetry. The measured roton gaps agree well with theoretical calculations. Furthermore, we determine sound velocities both in the magnetized and in the nonmagnetized phases, and a phonon-mode softening is observed around the phase transition in between. The validity of the f-sum rule is examined. PMID:25815940
Temperature dependence of phonon-defect interactions: phonon scattering vs. phonon trapping
Bebek, M. B.; Stanley, C. M.; Gibbons, T. M.; Estreicher, S. K.
2016-01-01
The interactions between thermal phonons and defects are conventionally described as scattering processes, an idea proposed almost a century ago. In this contribution, ab-initio molecular-dynamics simulations provide atomic-level insight into the nature of these interactions. The defect is the Si|X interface in a nanowire containing a δ-layer (X is C or Ge). The phonon-defect interactions are temperature dependent and involve the trapping of phonons for meaningful lengths of time in defect-related, localized, vibrational modes. No phonon scattering occurs and the momentum of the phonons released by the defect is unrelated to the momentum of the phonons that generated the excitation. The results are extended to the interactions involving only bulk phonons and to phonon-defect interactions at high temperatures. These do resemble scattering since phonon trapping occurs for a length of time short enough for the momentum of the incoming phonon to be conserved. PMID:27535463
Temperature dependence of phonon-defect interactions: phonon scattering vs. phonon trapping.
Bebek, M B; Stanley, C M; Gibbons, T M; Estreicher, S K
2016-01-01
The interactions between thermal phonons and defects are conventionally described as scattering processes, an idea proposed almost a century ago. In this contribution, ab-initio molecular-dynamics simulations provide atomic-level insight into the nature of these interactions. The defect is the Si|X interface in a nanowire containing a δ-layer (X is C or Ge). The phonon-defect interactions are temperature dependent and involve the trapping of phonons for meaningful lengths of time in defect-related, localized, vibrational modes. No phonon scattering occurs and the momentum of the phonons released by the defect is unrelated to the momentum of the phonons that generated the excitation. The results are extended to the interactions involving only bulk phonons and to phonon-defect interactions at high temperatures. These do resemble scattering since phonon trapping occurs for a length of time short enough for the momentum of the incoming phonon to be conserved. PMID:27535463
NASA Astrophysics Data System (ADS)
Ramu, Ashok T.; Ma, Yanbao
2014-09-01
An enhanced Fourier law that we term the unified nondiffusive-diffusive (UND) phonon transport model is proposed in order to account for the effect of low-frequency phonon modes of long mean-free path that propagate concomitantly to the dominant high-frequency modes. The theory is based on spherical harmonic expansions of the phonon distribution functions, wherein the high-frequency mode distribution function is truncated at the first order in the expansion, while the low-frequency mode distribution function, which is farther out of thermal equilibrium, is truncated at the second order. As an illustrative application, the predictions of the proposed model are compared with data from a recent experiment that utilized the transient gratings method to investigate the deviation of thermal transport in a silicon membrane from the predictions of the Fourier law. The good fit of the experimental effective thermal conductivity (ETC) with the analytical solution derived in this work yields quantitative information about the mean-free path of the dominant low-frequency heat-transfer mode in silicon.
NASA Astrophysics Data System (ADS)
Baboly, Mohammadhosein Ghasemi; Soliman, Yasser; Su, Mehmet F.; Reinke, Charles M.; Leseman, Zayd C.; El-Kady, Ihab
2014-11-01
Plane wave expansion analyses that use the inverse rule to obtain the Fourier coefficients of the elastic tensor instead of the more conventional Laurent's rule, exhibit faster convergence rates for solid-solid phononic crystals. In this work, the band structure convergence of calculations using the inverse rule is investigated and applied to the case of high acoustic impedance contrast solid-solid phononic crystals, previously known for convergence difficulties. Results are contrasted to those obtained with the conventional plane wave expansion method. The inverse rule is found to converge at a much rate for all ranges of impedance contrast, and the ratio between the computational times needed to obtain a convergent band structure for a high-contrast solid-solid phononic crystal with the conventional plane wave expansion method using 1369 reciprocal lattice vectors is as large as 6800:1. This ratio decreases for material sets with lower impedance contrast; however, the inverse rule is still faster for a given error threshold for even the lowest impedance contrast phononic crystals reported in the literature. This convergence enhancement is a major factor in reconsidering the plane wave expansion method as an important tool in obtaining propagating elastic modes in phononic crystals.
Correlated anomalous phase diffusion of coupled phononic modes in a sideband-driven resonator.
Sun, F; Dong, X; Zou, J; Dykman, M I; Chan, H B
2016-01-01
The dynamical backaction from a periodically driven optical cavity can reduce the damping of a mechanical resonator, leading to parametric instability accompanied by self-sustained oscillations. Here we study experimentally and theoretically new aspects of the backaction and the discrete time-translation symmetry of a driven system using a micromechanical resonator with two nonlinearly coupled vibrational modes with strongly differing frequencies and decay rates. We find self-sustained oscillations in both the low- and high-frequency modes. Their frequencies and amplitudes are determined by the nonlinearity, which also leads to bistability and hysteresis. The phase fluctuations of the two modes show near-perfect anti-correlation, a consequence of the discrete time-translation symmetry. Concurrently, the phase of each mode undergoes anomalous diffusion. The phase variance follows a power law time dependence, with an exponent determined by the 1/f-type resonator frequency noise. Our findings enable compensating for the fluctuations using a feedback scheme to achieve stable frequency downconversion. PMID:27576597
NASA Astrophysics Data System (ADS)
Lee, Hosuk; So, Hyeon Seob; Lee, Hosun; Shin, Hae-Young; Yoon, Seokhyun; Ahn, Hyung-Woo; Kim, Su-Dong; Lee, Suyoun; Jeong, Doo-Seok; Cheong, Byung-ki
2014-06-01
We investigated the optical properties of Ge1- x Se x and Ge1- x- y Se x As y amorphous films by using spectroscopic ellipsometry and Raman spectroscopy. The dielectric functions and absorption coefficients ( α) of the amorphous films were determined from the measured ellipsometric angles (Ψ,Δ). We obtained the optical gap energies and the Urbach energies from the absorption coefficients and found a strong bowing effect in the optical gap energy of Ge1- x- y Se x As y , where the endpoint binaries were Ge0.50Se0.50 and Ge0.31As0.69. Based on the correlation between the optical gap energies and the Urbach energies, we attributed the large bowing parameter to electronic disorder. Using Raman spectroscopy, we measured the phonon modes and discussed the composition dependence of the phonon peak frequencies and lineshapes in terms of structural units. Based on the composition dependence of the phonons in Ge1- x- y Se x As y , we identified the phonon modes of Ge0.31As0.69. A resonant Raman phenomenon was observed in Ge0.40Se0.60 at a laser excitation of 514 nm (2.41 eV). We verified that this laser energy corresponded to the transition energy of Ge0.40Se0.60 by using the second derivative of the dielectric function of Ge0.40Se0.60.
Size-Dependent Infrared Phonon Modes and Ferroelectric Phase Transition in BiFe03 Nanoparticles
Chen, P.; Wong, S.; Xu, X.; Koenigsmann, C.; Santulli, A.C.; Musfeldt, J.L.
2010-11-01
One emergent property of ferroelectric nanoparticles is the sized-induced structural distortion to a high-symmetry paraelectric phase at small particle sizes. Finite length scale effects can thus be advantageously employed to elucidate ferroelectric transition mechanisms. In this work, we combine infrared spectroscopy with group theory and lattice dynamics calculations to reveal the displacive nature of the ferroelectric transition in BiFeO{sub 3}, a room temperature multiferroic. Systematic intensity and frequency trends in selected vibrational modes show that the paraelectric phase is Pm{sub 3}m and the lowest frequency A{sub 1} feature is the soft mode that drives the first order transition. Finite length scale effects are also evident in the electronic structure with a red-shifted band gap in nanoscale BiFeO{sub 3} compared with that of the rhombohedral film, a result that can impact the development of ferroelectric photovoltaics and oxide-based electronics. Taken together, these findings demonstrate the foundational importance of size effects for enhancing the rich functionality and broad utility of transition metal oxides.
Spann, B. T.; Xu, X.
2014-08-25
We employ ultrafast transient absorption spectroscopy with temporal pulse shaping to manipulate coherent phonon excitation and quantify the strength of electron-phonon coupling in CdTe{sub 1−x}Se{sub x} nanocrystals (NCs). Raman active CdSe and CdTe longitudinal optical phonon (LO) modes are excited and probed in the time domain. By temporally controlling pump pulse pairs to coherently excite and cancel coherent phonons in the CdTe{sub 1−x}Se{sub x} NCs, we estimate the relative amount of optical energy that is coupled to the coherent CdSe LO mode.
NASA Astrophysics Data System (ADS)
Tan, Lijie; Hu, Qiwei; Lei, Li; Jiang, Xiaodong; Gao, Shangpan; He, Duanwei
2015-11-01
ZnO-based semiconductor alloys, Li(1-x/2)Ga(1-x/2)ZnxO (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-1 and a left-shoulder peak at ca. 530 cm-1 on the low-frequency side of A1g mode at ca. 580 cm-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 mode induced by substitution does not change at the same pace with the A1g 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.
NASA Astrophysics Data System (ADS)
Qi, Zeming; Cheng, Xuerui; Zhang, Guobin; Li, Tingting; Wang, Yuyin; Shao, Tao; Li, Chengxiang; He, Bo
2012-03-01
The local structure and dielectric properties of crystalline and amorphous La2Hf2O7 (LHO) thin film were studied by X-ray absorption spectroscopy and infrared spectroscopy. The basic infrared phonon modes with most contributions to the static dielectric constant of crystal LHO are preserved, which causes the considerable value of the static dielectric constant in the amorphous thin film. The preservation of the main infrared phonon modes in the amorphous thin film is because it has similar the nearest local structures around Hf and La atoms as the crystal LHO. This inheritance of the local structural and vibrational features of the crystal phase is the origin of the dielectric constant of the LHO thin film.
NASA Astrophysics Data System (ADS)
Skelton, Jonathan M.; Burton, Lee A.; Parker, Stephen C.; Walsh, Aron; Kim, Chang-Eun; Soon, Aloysius; Buckeridge, John; Sokol, Alexey A.; Catlow, C. Richard A.; Togo, Atsushi; Tanaka, Isao
2016-08-01
The layered semiconductor SnSe is one of the highest-performing thermoelectric materials known. We demonstrate, through a first-principles lattice-dynamics study, that the high-temperature C m c m phase is a dynamic average over lower-symmetry minima separated by very small energetic barriers. Compared to the low-temperature P n m a phase, the C m c m phase displays a phonon softening and enhanced three-phonon scattering, leading to an anharmonic damping of the low-frequency modes and hence the thermal transport. We develop a renormalization scheme to quantify the effect of the soft modes on the calculated properties, and confirm that the anharmonicity is an inherent feature of the C m c m phase. These results suggest a design concept for thermal insulators and thermoelectric materials, based on displacive instabilities, and highlight the power of lattice-dynamics calculations for materials characterization.
NASA Astrophysics Data System (ADS)
Tangi, Malleswararao; Mishra, Pawan; Janjua, Bilal; Ng, Tien Khee; Anjum, Dalaver H.; Prabaswara, Aditya; Yang, Yang; Albadri, Abdulrahman M.; Alyamani, Ahmed Y.; El-Desouki, Munir M.; Ooi, Boon S.
2016-07-01
The dislocation free InxAl1-xN nanowires (NWs) are grown on Si(111) by nitrogen plasma assisted molecular beam epitaxy in the temperature regime of 490 °C-610 °C yielding In composition ranges over 0.50 ≤ x ≤ 0.17. We study the optical properties of these NWs by spectroscopic ellipsometry (SE), photoluminescence, and Raman spectroscopies since they possesses minimal strain with reduced defects comparative to the planar films. The optical bandgap measurements of InxAl1-xN NWs are demonstrated by SE where the absorption edges of the NW samples are evaluated irrespective of substrate transparency. A systematic Stoke shift of 0.04-0.27 eV with increasing x was observed when comparing the micro-photoluminescence spectra with the Tauc plot derived from SE. The micro-Raman spectra in the NWs with x = 0.5 showed two-mode behavior for A1(LO) phonons and single mode behavior for E2H phonons. As for x = 0.17, i.e., high Al content, we observed a peculiar E2H phonon mode splitting. Further, we observe composition dependent frequency shifts. The 77 to 600 K micro-Raman spectroscopy measurements show that both AlN- and InN-like modes of A1(LO) and E2H phonons in InxAl1-xN NWs are redshifted with increasing temperature, similar to that of the binary III group nitride semiconductors. These studies of the optical properties of the technologically important InxAl1-xN nanowires will path the way towards lasers and light-emitting diodes in the wavelength of the ultra-violet and visible range.
Composition dependence of the in-plane Cu-O bond-stretching LO phonon mode in YBa2Cu3O6+x
Stercil, F.; Egami, T.; Mook Jr, Herbert A; Yethiraj, Mohana; Chung, J.-H.; Arai, M.; Frost, C.; Dogan, F.
2008-01-01
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, 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.
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
Yu Wen; Zhao, Jinggeng; Jin, Changqing
2005-12-01
Cu{sub 3}N band structures and phonon dispersion curves under pressure are calculated using first-principles density functional theory and density functional perturbation theory with the local density approximation by the plane-wave pseudopotential method. The band structures are similar to other full-potential calculations. The indirect band gap is about 0.13 eV and decreases with increasing pressure. Simultaneous softening of the M{sub 3} and R{sub 25} zone boundary phonon modes was found and the possible associated successive structural phase transitions were discussed. The mode Grueneisen parameters for optic modes were obtained and the frequency versus pressure relationship was well fitted to second-order polynomials. The quadric relationship between the soft-mode frequency and pressure was also well reproduced for the M{sub 3} and R{sub 25} soft modes. The large difference of the soft-mode-driven transition pressures for the first high-pressure phases of ReO{sub 3} and Cu{sub 3}N were also discussed.
NASA Astrophysics Data System (ADS)
Shalini, A.; Liu, Y.; Katmis, F.; Braun, W.; Srivastava, G. P.; Hicken, R. J.
2015-01-01
Femtosecond optical pump-probe measurements have been made upon epitaxial, polycrystalline, and amorphous thin films of Ge2Sb2Te5 (GST). A dominant coherent optical phonon mode of 3.4 THz frequency is observed in time-resolved anisotropic reflectance (AR) measurements of epitaxial films, and is inferred to have 3-dimensional T2-like character based upon the dependence of its amplitude and phase on pump and probe polarization. In contrast, the polycrystalline and amorphous phases exhibit a comparatively weak mode of about 4.5 THz frequency in both reflectivity (R) and AR measurements. Raman microscope measurements confirm the presence of the modes observed in pump-probe measurements, and reveal additional modes. While the Raman spectra are qualitatively similar for all three phases of GST, the mode frequencies are found to be different within experimental error, ranging from 3.2 to 3.6 THz and 4.3 to 4.7 THz, indicating that the detailed crystallographic structure has a significant effect upon the phonon frequency. While the lower frequency (3.6 THz) mode of amorphous GST is most likely associated with GeTe4 tetrahedra, modes in epitaxial (3.4 THz) and polycrystalline (3.2 THz) GST could be associated with either GeTe6 octahedra or Sb-Te bonds within defective octahedra. The more polarizable Sb-Te bonds are the most likely origin of the higher frequency (4.3-4.7 THz) mode, although the influence of Te-Te bonds cannot be excluded. The effect of high pump fluence, which leads to irreversible structural changes, has been explored. New modes with frequency of 3.5/3.6 THz in polycrystalline/amorphous GST may be associated with Sb2Te3 or GeTe4 tetrahedra, while a 4.2 THz mode observed in epitaxial GST may be related to segregation of Sb.
IR active phonon spectra of B-C-Al compounds with boron carbide structure
Schmechel, R.; Werheit, H.; Robberding, K.; Lundstroem, T.; Bolmgren, H.
1997-10-01
The IR spectra of boron carbide containing up to about 1.5 at.% aluminum atoms are determined between 80 and 5000 cm{sup -1} for temperatures between 70 and 450 K. While the essential features of the boron carbide phonon spectrum remain largely unchanged, there are several new low energy absorption bands at about 190 and 290 cm{sup -1} obviously induced by the aluminum atoms. The band at 190 cm{sup -1} is attributed to the bending mode of Al{sub 2} chains, which are assumed to be formed in otherwise chain-free unit cells of boron-rich boron carbide. The dynamical conductivity of aluminum-doped boron carbide. The dynamical conductivity of aluminum content, while the Seebeck coefficient showing p-type behavior for all compounds increases. This make evident that doping with aluminum atoms changes the electronic properties of boron carbide.
NASA Astrophysics Data System (ADS)
Tsatsoulis, T.; Illg, C.; Haag, M.; Mueller, B. Y.; Zhang, L.; Fähnle, M.
2016-04-01
During ultrafast demagnetization after the excitation of ferromagnetic films with femtosecond laser pulses, the angular momentum of the electronic system is transferred to the lattice via electron-phonon scatterings. The actual amount of transfer is calculated for Ni and Fe by considering spin-phonon eigenmodes, which have a sharp angular momentum. Because the considered Hamiltonian is not isotropic, the total angular momentum is not conserved.
NASA Astrophysics Data System (ADS)
Fobes, David; Zaliznyak, Igor; Xu, Zhijun; Gu, Genda; Tranquada, John M.; He, Xu-Gang; Ku, Wei; Garlea, Ovidiu
2014-03-01
We have studied the evolution with temperature of the low-energy inelastic spectra of Fe1+yTe (y < 0 . 12), a parent compound of the iron-chalcogenide superconductor family, revealing an acoustic mode at an unexpected position. Recently, we found evidence for the formation of a bond-order wave leading to ferro-orbital order in the monoclinic phase, in part due to the observation of an elastic structural peak at (100) in the low-temperature monoclinic phase [D. Fobes, et al., arXiv:1307.7162]. In the inelastic spectra we observe a sharp acoustic-phonon-like mode dispersing out of the (100) position in the monoclinic phase. Surprisingly, the mode survives in the tetragonal phase, despite the absence of a Bragg peak at (100); such a peak is forbidden by symmetry. LDA calculations suggest this mode could involve significant magnetic scattering. By assuming in-phase virtual displacement of the Fe atoms from their equilibrium position in a frozen phonon calculation, we have found a small but significant imbalance in the magnetic moments between the two Fe atoms within the unit cell, suggesting magnetic contribution to the mode. Work at BNL supported by Office of Basic Energy Sciences, US DOE, under Contract No. DE-AC02-98CH10886. Research conducted at ORNL Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US DOE.
Sutter, E.; Schafer-Nolte, E.O.; Stoica T.; Gotschke, T.; Limbach, F.A.; Sutter, P.; Grutzmacher, 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 E2 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.
Estreicher, S. K. Gibbons, T. M.; Kang, By.; Bebek, M. B.
2014-01-07
Defects in semiconductors introduce vibrational modes that are distinct from bulk modes because they are spatially localized in the vicinity of the defect. Light impurities produce high-frequency modes often visible by Fourier-transform infrared absorption or Raman spectroscopy. Their vibrational lifetimes vary by orders of magnitude and sometimes exhibit unexpectedly large isotope effects. Heavy impurities introduce low-frequency modes sometimes visible as phonon replicas in photoluminescence bands. But other defects such as surfaces or interfaces exhibit spatially localized modes (SLMs) as well. All of them can trap phonons, which ultimately decay into lower-frequency bulk phonons. When heat flows through a material containing defects, phonon trapping at localized modes followed by their decay into bulk phonons is usually described in terms of phonon scattering: defects are assumed to be static scattering centers and the properties of the defect-related SLMs modes are ignored. These dynamic properties of defects are important. In this paper, we quantify the concepts of vibrational localization and phonon trapping, distinguish between normal and anomalous decay of localized excitations, discuss the meaning of phonon scattering in real space at the atomic level, and illustrate the importance of phonon trapping in the case of heat flow at Si/Ge and Si/C interfaces.
NASA Astrophysics Data System (ADS)
Hu, Y. Y.; Zhou, T. F.; Zheng, S. N.; Liu, X. H.; Zhao, J. J.; Su, X. J.; Huang, J.; Qiu, Y. X.; Zhang, J. C.; Xu, K.
2016-05-01
In this study, we present a microspectroscopic investigation on the quasi-transverse optical phonon modes Q(TO) in some self-generated aluminum nitride (AlN) grains grown on sapphire using hydride vapor phase epitaxy. Using X-ray diffraction and transmission electron microscope, these grains were confirmed to be embedded in (0001)-AlN (c-AlN) epitaxial matrix with an appearance plane of (10 1 ¯ 1 ) (s-plane). Two beam bright field images further showed that the AlN grains were free of dislocation. In-plane phonon anisotropy of the AlN grains was discussed in detail using angular-dependent polarized Raman spectroscopy. The dependence of pure Raman phonons intensity on rotation angle agrees well with the calculation. The Q(TO) phonon intensity exhibited similar behavior to that of A1(TO) phonon, which can be explained by Loudon's formula. However, the observed frequency fluctuation for the Q(TO) phonon differs from that of the pure phonon modes, which cannot be directly understood from the classic Loudon's formula. A modified Loudon's formula appropriate to non-normal incidence was presented to explain the observed Q(TO) phonon frequency fluctuation. Combining with the angular-dependent Raman spectra, we proposed that a small inclination of s-plane along with the various in-plane orientations in c-AlN matrix lead to the frequency fluctuation of Q(TO) in these embedded semipolar AlN grains.
Additional and canonical phonon modes in Hg1-xCdxTe(0.06≤x≤0.7)
NASA Astrophysics Data System (ADS)
Polit, J.; Sheregii, E. M.; Cebulski, J.; Kisiel, A.; Robouch, B. V.; Marcelli, A.; Mycielski, A.
2010-07-01
In this experimental work a conception of the phonon spectra of the Hg1-xCdxTe(x=0.06-0.7) solid solution is presented which explains the presence of additional lines in the region 100-115cm-1 . Data of the optical reflectivity measurements obtained in far and middle infrared regions for eleven compositions of these alloys in the temperature range from 20 to 293 K using the synchrotron radiation ( DAΦNE -LIGHT in LNF, Italy) as source are analyzed. Analyses were performed on samples of different types ( n and p type) of conductivity as well as the temperature dependences of the line intensity under consideration in the region from 70 to 118cm-1 . The model of two valley potential of the mercury atom in the Hg1-xCdxTe lattice is used for interpretation of the additional phonon modes.
Electron-Phonon Couplings of the Interfacial Mode in FeSe Thin Films on SrTiO3 and BaTiO3
NASA Astrophysics Data System (ADS)
Wang, Yan; Berlijn, Tom; Rademaker, Louk; Johnston, Steve
Monolayers FeSe on SrTiO3 or BaTiO3 substrates possess highest superconducting transition temperatures in Fe-based superconductors with Tc ~ 70 K measured by angle-resolved photoemission spectroscopy (ARPES) and other experiments. Furthermore, the high Tc's concur with exact replica bands in ARPES spectra. A forward scattering mechanism with small momentum transfer through the electron-phonon interaction has been proposed to explain the high Tc's and the replica bands. We apply ab initio techniques to study such coupling in monolayer and bilayer FeSe thin films on SrTiO3, BaTiO3, and oxygen-vacant SrTiO3 substrates. Our results confirm the forward scattering nature of electron-phonon coupling of the oxygen polar mode whose energy coincides with the off-set energy of the replica bands.
NASA Astrophysics Data System (ADS)
Wakiya, K.; Onimaru, T.; Tsutsui, S.; Matsumoto, K. T.; Nagasawa, N.; Baron, A. Q. R.; Hasegawa, T.; Ogita, N.; Udagawa, M.; Takabatake, T.
2015-03-01
Atomic dynamics of PrT2Zn20 for T=Ru with a structural transition at Ts=138 K and T=Ir without such a transition have been studied by inelastic X-ray scattering (IXS) measurements. The IXS spectra for T=Ru reveal an optical phonon excitation at 3 meV. We assign it to low-energy vibration of the Zn atom at the 16c site by taking account of the first principles calculation [Hasegawa et al. 2012 J. Phys.: Conf. Proc. 391 012016]. For T=Ir, on the other hand, the optical excitation at 3 meV was not observed. The contrasting results indicate that the low-energy optical phonon mode has a role in the structural transition in PrRu2Zn20 and isostructural La counterparts.
Finding the bare band: Electron coupling to two phonon modes in potassium-doped graphene on Ir(111)
NASA Astrophysics Data System (ADS)
Pletikosić, I.; Kralj, M.; Milun, M.; Pervan, P.
2012-04-01
We analyze renormalization of the π* band of n-doped epitaxial graphene on Ir(111) induced by electron-phonon coupling. Our procedure of extracting the bare band relies on recursive self-consistent refining of the functional form of the bare band until the convergence. We demonstrate that the components of the self-energy, as well as the spectral intensity obtained from angle-resolved photoelectron spectroscopy, show that the renormalization is due to the coupling to two distinct phonon excitations. From the velocity renormalization and an increase of the imaginary part of the self-energy we find the electron-phonon coupling constant to be ˜0.2, which is in fair agreement with a previous study of the same system, despite the notable difference in the width of spectroscopic curves. Our experimental results also suggest that potassium intercalated between graphene and Ir(111) does not introduce any additional increase of the quasiparticle scattering rate.
Isotopic phonon effects in β-rhombohedral boron—non-statistical isotope distribution
NASA Astrophysics Data System (ADS)
Werheit, H.; Filipov, V.; Kuhlmann, U.; Schwarz, U.; Armbrüster, M.; Antadze, M.
2012-05-01
On the basis of the spectra of IR- and Raman-active phonons, the isotopic phonon effects in β-rhombohedral boron are analysed for polycrystalline 10B- and 11B-enriched samples of different origin and high-purity natB single crystals. Intra- and inter-icosahedral B-B vibrations are harmonic, hence meeting the virtual crystal approximation (VCA) requirements. Deviations from the phonon shift expected according to the VCA are attributed to the anharmonic share of the lattice vibrations. In the case of icosahedral vibrations, the agreement with calculations on α-rhombohedral boron by Shirai and Katayama-Yoshida is quite satisfactory. Phonon shifts due to isotopic disorder in natB are separated and determined. Some phonon frequencies are sensitive to impurities. The isotopic phonon effects yield valuable specific information on the nature of the different phonon modes. The occupation of regular boron sites by isotopes deviates significantly from the random distribution.
Dynamical stabilization by phonon-phonon interaction exemplified in cubic zirconia
Souvatsos,; Rudin, Sven P
2008-01-01
Cubic zirconia exhibits a soft phonon mode (X{sup -}{sub 2}), which becomes dynamically unstable at low temperatures. Previous ab initio invest.igations into the temperature-induced stabilization of the soft mode treated it as an independent anharmonic oscillator. Calculations presented here, using the self consistent ab initio lattice dynamical (SCAILD) method to evaluate the phonons at 2570 K, show that the soft mode should not be treated independently of other phonon modes. Phonon-phonon interactions stabilize the X{sup -}{sub 2} mode. Furthermore, the effective potential experienced by the mode takes on a quadratic form.
Delocalization of phonon-plasmon modes in GaAs/AlAs superlattices with tunnel-thin AlAs barriers
Volodin, V. A. Efremov, M. D.; Sachkov, V. A.
2006-10-15
The technique of Raman spectroscopy has been used to investigate doped (n-type) and undoped GaAs/AlAs superlattices with AlAs barrier thicknesses from 17 to 1 monolayers. The peak corresponding to the scattering by a two-dimensional plasmon was found in the Raman spectrum of a doped superlattice with relatively thick barriers. The position of the experimental peak corresponded to the value calculated in the model of plasma oscillations in periodic planes of a two-dimensional electron gas. The electron tunneling effects played an increasingly prominent role as the AlAs barrier thickness decreased. The peaks corresponding to the scattering by coupled phonons with three-dimensional plasmons were found in the Raman spectra for a superlattice with an AlAs thickness of 2 monolayers; i.e., the delocalization of coupled modes was observed. In this case, the folding of acoustic phonons was observed in the superlattice under consideration, indicative of its good periodicity, while the localization of optical phonons in GaAs layers was observed in undoped superlattices with an AlAs thickness of 2 monolayers.
Li, Wenwu; Jiang, Kai; Zhang, Jinzhong; Chen, Xiangui; Hu, Zhigao; Chen, Shiyou; Sun, Lin; Chu, Junhao
2012-07-28
The quaternary semiconductor Cu(2)ZnSnS(4) (CZTS) has attracted a lot of attention as a possible absorber material for solar cells due to its direct bandgap and high absorption coefficient. In this study, photovoltaic CZTS nanocrystalline film with a grain size of about 10 nm has been grown on a c-plane sapphire substrate by radio-frequency magnetron sputtering. With increasing the temperature from 86 to 323 K, the A(1) phonon mode shows a red shift of about 9 cm(-1) due to the combined effects of thermal expansion and the anharmonic coupling to the other phonons. Optical and electronic properties of the CZTS film have been investigated by transmittance spectra in the temperature range of 8-300 K. Near-infrared-ultraviolet dielectric functions have been extracted with the Tauc-Lorentz dispersion model. The fundamental band gap E(0), and higher-energy critical points E(1) and E(2) are located at 1.5, 3.6, and 4.2 eV, respectively. Owing to the influences of electron-phonon interaction and the lattice expansion, the three interband transitions present a red shift trend with increasing temperature. It was found that the absorption coefficient in the visible region increases due to the modifications of electronic band structures. The detailed study of the optical properties of CZTS film can provide an experimental basis for CZTS-based solar cell applications. PMID:22710652
Multi-Enhanced-Phonon Scattering Modes in Ln-Me-A Sites co-substituted LnMeA11O19 Ceramics
Lu, Haoran; Wang, Chang-An; Huang, Yong; Xie, Huimin
2014-01-01
Authors reported an effective path to decrease the thermal conductivity while to increase the coefficient of thermal expansion, thus enhancing the thermo-physical properties of the LnMeA11O19-type magnetoplumbite LaMgAl11O19 by simultaneously substituting La3+, Mg2+ and Al3+ ions with large ionic radius Ba2+, Zn2+ and Ti4+, respectively. The mechanism behind the lowered thermal conductivity was mainly due to the multi-enhanced-phonon scattering modes in Ln-Me-A sites co-substituted LnMeA11O19 ceramics. These modes involve the following four aspects, namely, point defect mechanism, the intrinsic scattering in the complex crystal cell and materials with stepped surface to localize phonon vibrational modes, as well as nano-platelet-like structure to incorporate additional grain boundary scattering. This study provides novel thoughts for promising candidate materials of even lower thermal conductivity for the next generation thermal barrier coatings. PMID:25351166
NASA Astrophysics Data System (ADS)
Dib, E.; Carrillo-Nuñez, H.; Cavassilas, N.; Bescond, M.
2016-01-01
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.
NASA Astrophysics Data System (ADS)
Zhu, J. J.; Zhang, J. Z.; Xu, G. S.; Zhang, X. L.; Hu, Z. G.; Chu, J. H.
2015-05-01
Optic phonons and lattice vibrations of Pb(In1/2Nb1/2)O3-Pb(Mg1/3Nb2/3)O3-PbTiO3 single crystals near the morphotropic phase boundary (MPB) are determined by terahertz (THz) reflectance spectra in a temperature range of 5.5-300 K. Raman scattering is measured with a He-Ne laser with a wavelength of 632.8 nm as the exciting source. On cooling from 300 K, the A1 component of the splitting TO1 mode hardens, which follows the Cochran law with a critical softening temperature of 761-861 K. Moreover, the E component of the soft mode is heavily damped around 0.81 THz (27 cm - 1). Additional polar phonon modes, which are forbidden in the cubic structure, are activated due to the broken cubic symmetry in polar clusters.
Shalini, A.; Liu, Y.; Srivastava, G. P.; Hicken, R. J.; Katmis, F.; Braun, W.
2015-01-14
Femtosecond optical pump-probe measurements have been made upon epitaxial, polycrystalline, and amorphous thin films of Ge{sub 2}Sb{sub 2}Te{sub 5} (GST). A dominant coherent optical phonon mode of 3.4 THz frequency is observed in time-resolved anisotropic reflectance (AR) measurements of epitaxial films, and is inferred to have 3-dimensional T{sub 2}-like character based upon the dependence of its amplitude and phase on pump and probe polarization. In contrast, the polycrystalline and amorphous phases exhibit a comparatively weak mode of about 4.5 THz frequency in both reflectivity (R) and AR measurements. Raman microscope measurements confirm the presence of the modes observed in pump-probe measurements, and reveal additional modes. While the Raman spectra are qualitatively similar for all three phases of GST, the mode frequencies are found to be different within experimental error, ranging from 3.2 to 3.6 THz and 4.3 to 4.7 THz, indicating that the detailed crystallographic structure has a significant effect upon the phonon frequency. While the lower frequency (3.6 THz) mode of amorphous GST is most likely associated with GeTe{sub 4} tetrahedra, modes in epitaxial (3.4 THz) and polycrystalline (3.2 THz) GST could be associated with either GeTe{sub 6} octahedra or Sb-Te bonds within defective octahedra. The more polarizable Sb-Te bonds are the most likely origin of the higher frequency (4.3–4.7 THz) mode, although the influence of Te-Te bonds cannot be excluded. The effect of high pump fluence, which leads to irreversible structural changes, has been explored. New modes with frequency of 3.5/3.6 THz in polycrystalline/amorphous GST may be associated with Sb{sub 2}Te{sub 3} or GeTe{sub 4} tetrahedra, while a 4.2 THz mode observed in epitaxial GST may be related to segregation of Sb.
Hybridized Mode of Phonon and Spin-Cluster Excitation in Quasi-One-Dimensional Magnet CoNb 2O 6
NASA Astrophysics Data System (ADS)
Kunimoto, Takashi; Sato, Masayuki; Nagasaka, Keigo; Kohn, Kay
1999-04-01
Transmission measurements of far-infrared (FIR) polarized radiation have been performed in CoNb2O6 single crystal. We have observed an absorption line at 9.7 cm-1 with a broad band from 9 to 25 cm-1 which should be attributed to the phonon of the lowest frequency below 30 cm-1 from the lattice dynamical analysis. As the temperature is decreased below 20 K and also as the magnetic field is applied up to 6 T, the absorption line with the band was intensively studied in magnetic fields as well as the various temperatures by using polarized FIR radiation field E parallel to the b- and c-axis. From the study, the band is attributed to the spin-cluster excitation (SCE) in the Ising-like chain. On the other hand, the absorption line also exhibits the variation as similar as SCE in magnetic fields. It concludes that the absorption line at 9.7 cm-1 is the hybridized mode of the B 3u mode of the phonon of the lowest frequency and SCE.
NASA Astrophysics Data System (ADS)
Wu, Guoqiang; Zhu, Yao; Merugu, Srinivas; Wang, Nan; Sun, Chengliang; Gu, Yuandong
2016-07-01
This letter reports a spurious mode free GHz aluminum nitride (AlN) lamb wave resonator (LWR) towards high figure of merit (FOM). One dimensional gourd-shape phononic crystal (PnC) tether with large phononic bandgaps is employed to reduce the acoustic energy dissipation into the substrate. The periodic PnC tethers are based on a 1 μm-thick AlN layer with 0.26 μm-thick Mo layer on top. A clean spectrum over a wide frequency range is obtained from the measurement, which indicates a wide-band suppression of spurious modes. Experimental results demonstrate that the fabricated AlN LWR has an insertion loss of 5.2 dB and a loaded quality factor (Q) of 1893 at 1.02 GHz measured in air. An impressive ratio of the resistance at parallel resonance (Rp) to the resistance at series resonance (Rs) of 49.8 dB is obtained, which is an indication of high FOM for LWR. The high Rp to Rs ratio is one of the most important parameters to design a radio frequency filter with steep roll-off.
Phonon engineering for nanostructures.
Aubry, Sylvie; Friedmann, Thomas Aquinas; Sullivan, John Patrick; Peebles, Diane Elaine; Hurley, David H.; Shinde, Subhash L.; Piekos, Edward Stanley; Emerson, John Allen
2010-01-01
Understanding the physics of phonon transport at small length scales is increasingly important for basic research in nanoelectronics, optoelectronics, nanomechanics, and thermoelectrics. We conducted several studies to develop an understanding of phonon behavior in very small structures. This report describes the modeling, experimental, and fabrication activities used to explore phonon transport across and along material interfaces and through nanopatterned structures. Toward the understanding of phonon transport across interfaces, we computed the Kapitza conductance for {Sigma}29(001) and {Sigma}3(111) interfaces in silicon, fabricated the interfaces in single-crystal silicon substrates, and used picosecond laser pulses to image the thermal waves crossing the interfaces. Toward the understanding of phonon transport along interfaces, we designed and fabricated a unique differential test structure that can measure the proportion of specular to diffuse thermal phonon scattering from silicon surfaces. Phonon-scale simulation of the test ligaments, as well as continuum scale modeling of the complete experiment, confirmed its sensitivity to surface scattering. To further our understanding of phonon transport through nanostructures, we fabricated microscale-patterned structures in diamond thin films.
Actively mode-locked semiconductor lasers
Bowers, J.E.; Morton, P.A.; Mar, A.; Corzine, S.W.
1989-06-01
Measurements of actively mode-locked semiconductor lasers are described and compared to calculations of the mode-locking process using three coupled traveling wave rate equations for the electron and photon densities. The dependence of pulse width on the modulation current and frequency are described. A limitation to minimum achievable pulse widths in mode-locked semiconductor lasers is shown to be dynamic detuning due to gain saturation. Techniques to achieve subpicosecond pulses are described, together with ways to reduce multiple pulse outputs. The amplitude and phase noise of linear and ring cavity semiconductor lasers were measured and found to be tens of dB smaller than YAG and argon lasers and limited by the noise from the microwave oscillator. High-frequency phase noise is only measurable in detuned cavities, and is below -110 dBc (1 Hz) in optimally tuned cavities. The prospects for novel ways to achieve even shorter pulses are discussed.
Birefringent phononic structures
Psarobas, I. E. Exarchos, D. A.; Matikas, T. E.
2014-12-15
Within the framework of elastic anisotropy, caused in a phononic crystal due to low crystallographic symmetry, we adopt a model structure, already introduced in the case of photonic metamaterials, and by analogy, we study the effect of birefringence and acoustical activity in a phononic crystal. In particular, we investigate its low-frequency behavior and comment on the factors which determine chirality by reference to this model.
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
Marino, A; Cammarata, M; Matar, S F; Létard, J-F; Chastanet, G; Chollet, M; Glownia, J M; Lemke, H T; Collet, E
2016-03-01
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
Phonon anomalies in some iron telluride materials
C. C. Homes; Dai, Y. M.; Schneeloch, J.; Zhong, R. D.; Gu, G. D.
2016-03-21
In this paper, the detailed temperature dependence of the infrared-active mode in Fe1.03Te (TN ≃ 68 K) and Fe1.13Te (TN ≃ 56 K) has been examined, and the position, width, strength, and asymmetry parameter have been determined using an asymmetric Fano profile superimposed on an electronic background. In both materials the frequency of the mode increases as the temperature is reduced; however, there is also a slight asymmetry in the line shape, indicating that the mode is coupled to either spin or charge excitations. Below TN there is an anomalous decrease in frequency, and the mode shows little temperature dependence,more » at the same time becoming more symmetric, suggesting a reduction in spin- or electron-phonon coupling. The frequency of the infrared-active mode and the magnitude of the shift below TN are predicted reasonably well by first-principles calculations; however, the predicted splitting of the mode is not observed. In superconducting FeTe0.55Se0.45 (Tc ≃ 14 K) the infrared-active Eu mode displays asymmetric line shape at all temperatures, which is most pronounced between 100 – 200 K, indicating the presence of either spin- or electron-phonon coupling, which may be a necessary prerequisite for superconductivity in this class of materials.« less
NASA Astrophysics Data System (ADS)
Hedayatrasa, Saeid; Abhary, Kazem; Uddin, Mohammad; Ng, Ching-Tai
2016-04-01
This paper presents a topology optimization of single material phononic crystal plate (PhP) to be produced by perforation of a uniform background plate. The primary objective of this optimization study is to explore widest exclusive bandgaps of fundamental (first order) symmetric or asymmetric guided wave modes as well as widest complete bandgap of mixed wave modes (symmetric and asymmetric). However, in the case of single material porous phononic crystals the bandgap width essentially depends on the resultant structural integration introduced by achieved unitcell topology. Thinner connections of scattering segments (i.e. lower effective stiffness) generally lead to (i) wider bandgap due to enhanced interfacial reflections, and (ii) lower bandgap frequency range due to lower wave speed. In other words higher relative bandgap width (RBW) is produced by topology with lower effective stiffness. Hence in order to study the bandgap efficiency of PhP unitcell with respect to its structural worthiness, the in-plane stiffness is incorporated in optimization algorithm as an opposing objective to be maximized. Thick and relatively thin Polysilicon PhP unitcells with square symmetry are studied. Non-dominated sorting genetic algorithm NSGA-II is employed for this multi-objective optimization problem and modal band analysis of individual topologies is performed through finite element method. Specialized topology initiation, evaluation and filtering are applied to achieve refined feasible topologies without penalizing the randomness of genetic algorithm (GA) and diversity of search space. Selected Pareto topologies are presented and gradient of RBW and elastic properties in between the two Pareto front extremes are investigated. Chosen intermediate Pareto topology, even not extreme topology with widest bandgap, show superior bandgap efficiency compared with the results reported in other works on widest bandgap topology of asymmetric guided waves, available in the literature
Surface phonons of NiO(001) ultrathin films grown pseudomorphically on Ag(001)
NASA Astrophysics Data System (ADS)
Kostov, K. L.; Polzin, S.; Schumann, F. O.; Widdra, W.
2016-01-01
For an ultrathin NiO(001) film of 4 monolayer (ML) thickness grown on Ag(001), the vibrational properties have been determined by high-resolution electron energy loss spectroscopy (HREELS). For the well-ordered pseudomorphically grown film, nine phonon modes have been identified and their dispersions have been revealed along the ΓbarΧbar high-symmetry direction. The comparison with phonon data for a 25 ML thick NiO(001) film shows that the NiO(001) phonon properties are already fully developed at 4 ML. Significant differences are found for the surface-localized phonon S6 which has an increased dispersion for the ultrathin film. The dipole-active Fuchs-Kliewer phonon-polariton exhibits a narrower lineshape than the mode found for a single-crystal surface, which might hint to a reduced antiferromagnetic coupling in the ultrathin film.
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.
Phonons with orbital angular momentum
NASA Astrophysics Data System (ADS)
Ayub, M. K.; Ali, S.; Mendonca, J. T.
2011-10-01
Ion accoustic waves or phonon modes are studied with orbital angular momentum (OAM) in an unmagnetized collissionless uniform plasma, whose constituents are the Boltzmann electrons and inertial ions. For this purpose, we have employed the fluid equations to obtain a paraxial equation in terms of ion density perturbations and discussed its Gaussian beam and Laguerre-Gauss (LG) beam solutions. Furthermore, an approximate solution for the electrostatic potential problem is presented, allowing to express the components of the electric field in terms of LG potential perturbations. The energy flux due to phonons is also calculated and the corresponding OAM is derived. Numerically, it is shown that the parameters such as azimuthal angle, radial and angular mode numbers, and beam waist, strongly modify the profiles of the phonon LG potential. The present results should be helpful in understanding the phonon mode excitations produced by Brillouin backscattering of laser beams in a uniform plasma.
Phonons with orbital angular momentum
Ayub, M. K.; Ali, S.; Mendonca, J. T.
2011-10-15
Ion accoustic waves or phonon modes are studied with orbital angular momentum (OAM) in an unmagnetized collissionless uniform plasma, whose constituents are the Boltzmann electrons and inertial ions. For this purpose, we have employed the fluid equations to obtain a paraxial equation in terms of ion density perturbations and discussed its Gaussian beam and Laguerre-Gauss (LG) beam solutions. Furthermore, an approximate solution for the electrostatic potential problem is presented, allowing to express the components of the electric field in terms of LG potential perturbations. The energy flux due to phonons is also calculated and the corresponding OAM is derived. Numerically, it is shown that the parameters such as azimuthal angle, radial and angular mode numbers, and beam waist, strongly modify the profiles of the phonon LG potential. The present results should be helpful in understanding the phonon mode excitations produced by Brillouin backscattering of laser beams in a uniform plasma.
NASA Astrophysics Data System (ADS)
Caldwell, Joshua D.; Lindsey, Lucas; Giannini, Vincenzo; Vurgaftman, Igor; Reinecke, Thomas L.; Maier, Stefan A.; Glembocki, Orest J.
2015-09-01
The field of nanophotonics is based on the ability to confine light to sub-diffractional dimensions. Up until recently, research in this field has been primarily focused on the use of plasmonic metals. However, the high optical losses inherent in such metal-based surface plasmon materials has led to an ever-expanding effort to identify, low-loss alternative materials capable of supporting sub-diffractional confinement. One highly promising alternative are polar dielectric crystals whereby sub-diffraction confinement of light can be achieved through the stimulation of surface phonon polaritons within an all-dielectric, and thus low loss material system. Both SiC and hexagonal BN are two exemplary SPhP systems, which along with a whole host of alternative materials promise to transform nanophotonics and metamaterials in the mid-IR to THz spectral range. In addition to the lower losses, these materials offer novel opportunities not available with traditional plasmonics, for instance hyperbolic optical behavior in natural materials such as hBN, enabling super-resolution imaging without the need for complex fabrication. This talk will provide an overview of the SPhP phenomenon, a discussion of what makes a `good' SPhP material and recent results from SiC and the naturally hyperbolic material, hBN from our research group.
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.
Kinetic description of an electron--LO-phonon system with finite phonon lifetime
Nguyen, V.T.; Mahler, G. )
1992-02-15
We study the cooling of an electron plasma from a kinetic point of view. For this purpose, a quantum theory of fluctuations is applied to derive the kinetic equations for an electron--LO-phonon system from various model Hamiltonians. A polarization approximation is provided that goes beyond perturbation theory of the electron-phonon interaction. The description of electron-phonon energy exchange is shown to be impossible with the interacting Hamiltonian in Froehlich's one-phonon form unless dissipation of the bare LO phonon is included. For a Hamiltonian including effects of the scattering of LO phonons by acoustic phonons, kinetic equations are derived. The equation for LO phonons is shown to describe the collective excitations with finite lifetime, in the limiting case of weak damping of the plasmon-phonon coupled modes. A reduction of the cooling rate similar to the hot-phonon'' effect is shown to occur for the case of weak coupling without assuming a steady state of the LO phonons. Finally, an electron-phonon interaction Hamiltonian in two-phonon form is considered and it is shown that electron-phonon energy exchange may be described in the polarization approximation without introducing a finite phonon lifetime.
Actively mode-locked Raman fiber laser.
Yang, Xuezong; Zhang, Lei; Jiang, Huawei; Fan, Tingwei; Feng, Yan
2015-07-27
Active mode-locking of Raman fiber laser is experimentally investigated for the first time. An all fiber connected and polarization maintaining loop cavity of ~500 m long is pumped by a linearly polarized 1120 nm Yb fiber laser and modulated by an acousto-optic modulator. Stable 2 ns width pulse train at 1178 nm is obtained with modulator opening time of > 50 ns. At higher power, pulses become longer, and second order Raman Stokes could take place, which however can be suppressed by adjusting the open time and modulation frequency. Transient pulse evolution measurement confirms the absence of relaxation oscillation in Raman fiber laser. Tuning of repetition rate from 392 kHz to 31.37 MHz is obtained with harmonic mode locking. PMID:26367642
NASA Astrophysics Data System (ADS)
Kaminskii, A. A.; Haussühl, E.; Haussühl, S.; Lux, O.; Hanuza, J.; Rhee, H.; Kaltenbach, A.; Eichler, H. J.; Yoneda, H.; Shirakawa, A.; Ueda, K.
2013-09-01
This paper introduces a novel SRS-active crystal, hexagonal CaS2O6ṡ4H2O, which was found to be an attractive Raman gain material and a suitable subject for the study of numerous nonlinear lasing effects. Under picosecond laser pumping in the UV, visible and near-IR spectral region we observed various manifestations of Raman induced nonlinear interactions. All registered Stokes and anti-Stokes components are identified and attributed to the participating χ(3)-promoting phonon modes. In the appendix, we present new data on the SRS properties of another dithionate, Na2S2O6ṡ2H2O.
Phononic Molecules Studied by Raman Scattering
Lanzillotti-Kimura, N. D.; Fainstein, A.; Jusserand, B.; Lemaitre, A.
2010-01-04
An acoustic nanocavity can confine phonons in such a way that they act like electrons in an atom. By combining two of these phononic-atoms, it is possible to form a phononic 'molecule', with acoustic modes that are similar to the electronic states in a hydrogen molecule. We report Raman scattering experiments performed in a monolithic structure formed by a phononic molecule embedded in an optical cavity. The acoustic mode splitting becomes evident through both the amplification and change of selection rules induced by the optical cavity confinement. The results are in perfect agreement with photoelastic model simulations.
Watching surface waves in phononic crystals.
Wright, Oliver B; Matsuda, Osamu
2015-08-28
In this paper, we review results obtained by ultrafast imaging of gigahertz surface acoustic waves in surface phononic crystals with one- and two-dimensional periodicities. By use of quasi-point-source optical excitation, we show how, from a series of images that form a movie of the travelling waves, the dispersion relation of the acoustic modes, their corresponding mode patterns and the position and widths of phonon stop bands can be obtained by temporal and spatio-temporal Fourier analysis. We further demonstrate how one can follow the temporal evolution of phononic eigenstates in k-space using data from phononic-crystal waveguides as an example. PMID:26217053
Terahertz radiation from coherent phonons excited in semiconductors
NASA Astrophysics Data System (ADS)
Tani, M.; Fukasawa, R.; Abe, H.; Matsuura, S.; Sakai, K.; Nakashima, S.
1998-03-01
Terahertz radiation emitted by coherent phonons in Te, PbTe, and CdTe has been investigated by using an ultrafast photoconductive sampling detector. Pronounced coherent radiation originating from the longitudinal optical (LO) phonon oscillations of infrared-active modes was observed for all samples, irrespective of the different crystal structures. In addition, spectral dips at the transverse optical (TO) phonon frequencies, which could not be explained by absorption in the emitting volume, were observed for all samples. The model calculations indicate that the emission rate of the radiation into the air to that into the dielectric (semiconductor) side is scaled by 1/{1+(nd2+κd2)nd3} (nd and κd are the real and imaginary part of the complex refractive index, respectively). Thus, the enhanced emission of radiation by the coherent LO phonons and the spectral dips at the TO phonon frequencies can be explained by the respective increase and reduction of the emission efficiency of the radiation to the air due to the small and large value of the dielectric constant |ɛd(ω)|=nd2+κd2 near the LO and TO phonon frequencies, respectively.
Electrons and Phonons in Semiconductor Multilayers
NASA Astrophysics Data System (ADS)
Ridley, B. K.
2014-08-01
Introduction; 1. Simple models of the electron-phonon interaction; 2. Quantum confinement of carriers; 3. Quasicontinuum theory of lattice vibrations; 4. Bulk vibratory modes in an isotropic continuum; 5. Optical modes in a quantum well; 6. Superlattice modes; 7. Optical modes in various structures; 8. Electron-phonon interaction in a quantum well; 9. Other scattering mechanisms; 10. Quantum screening; 11. The electron distribution function; 12. Spin relaxation; 13. Electrons and phonons in the Wurtzite lattice; 14. Nitride heterostructures; 15. Terahertz sources; References; Index.
Tan, Lijie; Hu, Qiwei; Lei, Li Jiang, Xiaodong; Gao, Shangpan; He, Duanwei
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 mode 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.
Phonon-Assisted Resonant Tunnelling through a Triple-Quantum-Dot: a Phonon-Signal Detector
NASA Astrophysics Data System (ADS)
Shen, Xiao-Yun; Dong, Bing; Lei, Xiao-lin
2008-02-01
We study the effect of electron-phonon interaction on current and zero-frequency shot noise in resonant tunnelling through a series triple-quantum-dot coupling to a local phonon mode by means of a nonperturbative mapping technique along with the Green function formulation. By fixing the energy difference between the first two quantum dots to be equal to phonon frequency and sweeping the level of the third quantum dot, we find a largely enhanced current spectrum due to phonon effect, and in particular we predict current peaks corresponding to phonon-absorption and phonon-emission assisted resonant tunnelling processes, which show that this system can be acted as a sensitive phonon-signal detector or as a cascade phonon generator.
Study of crystal-field excitations and infrared active phonons in the multiferroic hexagonal DyMnO3
NASA Astrophysics Data System (ADS)
Jandl, S.; Mansouri, S.; Vermette, J.; Mukhin, A. A.; Ivanov, V. Yu; Balbashov, A.; Orlita, M.
2013-11-01
In hexagonal DyMnO3, Dy3+ crystal-field excitations are studied as a function of temperature and applied magnetic field. They are complemented with the measurements of infrared active phonon frequency shifts under applied magnetic field at T = 4.2 K. Between TN = 68 K and T = 10 K, the absence of Dy3+ Kramers doublet splittings at either the C3 or the C3v site symmetries indicates that the Mn3+ magnetic order effective exchange field has no component parallel to the c-axis at either site. Below T = 10 K, the ground state Kramers doublet splits under the Dy3+ internal effective field as well as the applied magnetic field. Also, relatively strong infrared active phonon energy shifts are observed in magneto-infrared reflectance measurements at T = 4.2 K, allowing the calculation of the induced electric polarization changes as a function of the applied magnetic field. Such changes are associated with a large magnetoelectric effect in DyMnO3, arising from a charge transfer between Dy3+ and apical oxygen ions.
Origin of large electron-phonon coupling in the metallic hydride TiH2
NASA Astrophysics Data System (ADS)
Veedu, Shanavas K.; Parker, David S.
The recent discovery of large superconducting transition temperature of Tc = 190 K in metallic H2S under high pressures of 200 GPa, has renewed the interest in the superconducting properties of metal-hydrogen systems. These materials are expected to be electron-phonon superconductors and hydrogen with its low mass can contribute new optic phonons that may couple with the conduction electrons. Often, though not always, a large electron-phonon coupling parameter λ (and consequently high Tc) can result from a high electronic density of states at the Fermi level (N (EF)) and the presence of soft phonons. With the help of first-principles calculations within density functional theory, we studied the cubic TiH2 which has a large 3 d N (EF) = 2 . 8 states/eV/f.u. Our calculated phonon dispersions show that Ti modes active below frequencies of 10 THz whereas much lighter H modes are active between 32 and 40 THz. Electron-phonon coupling calculations reveal a λ = 0 . 98 which corresponds to a Tc = 6 . 1 K. However, the large N (EF) also leads to a tetragonal instability at low temperatures in TiH2, which may be overcome by a uniaxial strain, potentially making it a candidate for electron-phonon superconductor. This research was supported by the US Department of Energy, Basic Energy Sciences, Office of Science, Materials Sciences and Engineering Division.
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.
Wide-stopband aperiodic phononic filters
NASA Astrophysics Data System (ADS)
Rostem, K.; Chuss, D. T.; Denis, K. L.; Wollack, E. J.
2016-06-01
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.
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.
Phonon Cooling by an Optomechanical Heat Pump
NASA Astrophysics Data System (ADS)
Dong, Ying; Bariani, F.; Meystre, P.
2015-11-01
We propose and analyze theoretically a cavity optomechanical analog of a heat pump that uses a polariton fluid to cool mechanical modes coupled to a single precooled phonon mode via external modulation of the substrate of the mechanical resonator. This approach permits us to cool phonon modes of arbitrary frequencies not limited by the cavity-optical field detuning deep into the quantum regime from room temperature.
Ultrasensitive detection of mode splitting in active optical microcavities
He, Lina; Oezdemir, Sahin Kaya; Zhu Jiangang; Yang Lan
2010-11-15
Scattering-induced mode splitting in active microcavities is demonstrated. Below the lasing threshold, quality factor enhancement by optical gain allows resolving, in the wavelength-scanning transmission spectrum, of resonance dips of the split modes which otherwise would not be detected in a passive resonator. In the lasing regime, mode splitting manifests itself as two lasing modes with extremely narrow linewidths. Mixing these lasing modes in a detector leads to a heterodyne beat signal whose frequency corresponds to the mode-splitting amount. Lasing regime not only allows ultra-high sensitivity for mode-splitting measurements but also provides an easily accessible scheme by eliminating the need for wavelength scanning around resonant modes. Mode splitting in active microcavities has an immediate impact in enhancing the sensitivity of subwavelength scatterer detection and in studying light-matter interactions in a strong-coupling regime.
Phonon manipulation with phononic crystals.
Kim Bongsang; Hopkins, Patrick Edward; Leseman, Zayd C.; Goettler, Drew F.; Su, Mehmet F.; El-Kady, Ihab Fathy; Reinke, Charles M.; Olsson, Roy H., III
2012-01-01
In this work, we demonstrated engineered modification of propagation of thermal phonons, i.e. at THz frequencies, using phononic crystals. This work combined theoretical work at Sandia National Laboratories, the University of New Mexico, the University of Colorado Boulder, and Carnegie Mellon University; the MESA fabrication facilities at Sandia; and the microfabrication facilities at UNM to produce world-leading control of phonon propagation in silicon at frequencies up to 3 THz. These efforts culminated in a dramatic reduction in the thermal conductivity of silicon using phononic crystals by a factor of almost 30 as compared with the bulk value, and about 6 as compared with an unpatterned slab of the same thickness. This work represents a revolutionary advance in the engineering of thermoelectric materials for optimal, high-ZT performance. We have demonstrated the significant reduction of the thermal conductivity of silicon using phononic crystal structuring using MEMS-compatible fabrication techniques and in a planar platform that is amenable to integration with typical microelectronic systems. The measured reduction in thermal conductivity as compared to bulk silicon was about a factor of 20 in the cross-plane direction [26], and a factor of 6 in the in-plane direction. Since the electrical conductivity was only reduced by a corresponding factor of about 3 due to the removal of conductive material (i.e., porosity), and the Seebeck coefficient should remain constant as an intrinsic material property, this corresponds to an effective enhancement in ZT by a factor of 2. Given the number of papers in literature devoted to only a small, incremental change in ZT, the ability to boost the ZT of a material by a factor of 2 simply by reducing thermal conductivity is groundbreaking. The results in this work were obtained using silicon, a material that has benefitted from enormous interest in the microelectronics industry and that has a fairly large thermoelectric power
NASA Astrophysics Data System (ADS)
Spann, Bryan T.; Xu, Xianfan
2015-10-01
One potential way to increase photovoltaic efficiency is to take advantage of hot-carriers. Nanocrystal based solar cells aim to take advantage of hot-carrier capture to boost device performance. The crucial parameter for gauging a given nanocrystal material for this application is the electron-phonon coupling. The electron-phonon coupling will dictate the thermalization time of hot-carriers. In this study we demonstrate a method of quantifying the electron-phonon coupling in semiconductor nanocrystals. By employing ultrafast transient absorption spectroscopy with temporal pulse shaping, we manipulate coherent phonons in CdTe_{1-x}Se_{x} nanocrystals to quantify the efficiency of the electron-phonon coupling. The Raman active longitudinal optical phonon (LO) modes were excited and probed as a function of time. Using a temporal pulse shaper, we were able to control pump pulse pairs to coherently excite and cancel coherent phonons in the CdTe_{1-x}Se_{x} nanocrystals, and estimate the relative amount of optical energy that is coupled to the coherent CdSe LO mode which is the dominant thermalization pathway for the hot-electrons in this system.
Enhanced electron-phonon coupling for a semiconductor charge qubit in a surface phonon cavity
Chen, J. C. H.; Sato, Y.; Kosaka, R.; Hashisaka, M.; Muraki, K.; Fujisawa, T.
2015-01-01
Electron-phonon coupling is a major decoherence mechanism, which often causes scattering and energy dissipation in semiconductor electronic systems. However, this electron-phonon coupling may be used in a positive way for reaching the strong or ultra-strong coupling regime in an acoustic version of the cavity quantum electrodynamic system. Here we propose and demonstrate a phonon cavity for surface acoustic waves, which is made of periodic metal fingers that constitute Bragg reflectors on a GaAs/AlGaAs heterostructure. Phonon band gap and cavity phonon modes are identified by frequency, time and spatially resolved measurements of the piezoelectric potential. Tunneling spectroscopy on a double quantum dot indicates the enhancement of phonon assisted transitions in a charge qubit. This encourages studying of acoustic cavity quantum electrodynamics with surface phonons. PMID:26469629
Enhanced electron-phonon coupling for a semiconductor charge qubit in a surface phonon cavity
NASA Astrophysics Data System (ADS)
Chen, J. C. H.; Sato, Y.; Kosaka, R.; Hashisaka, M.; Muraki, K.; Fujisawa, T.
2015-10-01
Electron-phonon coupling is a major decoherence mechanism, which often causes scattering and energy dissipation in semiconductor electronic systems. However, this electron-phonon coupling may be used in a positive way for reaching the strong or ultra-strong coupling regime in an acoustic version of the cavity quantum electrodynamic system. Here we propose and demonstrate a phonon cavity for surface acoustic waves, which is made of periodic metal fingers that constitute Bragg reflectors on a GaAs/AlGaAs heterostructure. Phonon band gap and cavity phonon modes are identified by frequency, time and spatially resolved measurements of the piezoelectric potential. Tunneling spectroscopy on a double quantum dot indicates the enhancement of phonon assisted transitions in a charge qubit. This encourages studying of acoustic cavity quantum electrodynamics with surface phonons.
Enhanced electron-phonon coupling for a semiconductor charge qubit in a surface phonon cavity.
Chen, J C H; Sato, Y; Kosaka, R; Hashisaka, M; Muraki, K; Fujisawa, T
2015-01-01
Electron-phonon coupling is a major decoherence mechanism, which often causes scattering and energy dissipation in semiconductor electronic systems. However, this electron-phonon coupling may be used in a positive way for reaching the strong or ultra-strong coupling regime in an acoustic version of the cavity quantum electrodynamic system. Here we propose and demonstrate a phonon cavity for surface acoustic waves, which is made of periodic metal fingers that constitute Bragg reflectors on a GaAs/AlGaAs heterostructure. Phonon band gap and cavity phonon modes are identified by frequency, time and spatially resolved measurements of the piezoelectric potential. Tunneling spectroscopy on a double quantum dot indicates the enhancement of phonon assisted transitions in a charge qubit. This encourages studying of acoustic cavity quantum electrodynamics with surface phonons. PMID:26469629
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.
El-Kady, Ihab F.; Olsson, Roy H.
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.
Benjamin, S.D.
1991-01-01
Unique lasing processes in III-V semiconductor lasers are examined. The dynamics of stimulated photon emissions in thin AlGaAs/GaAs single quantum well lasers are observed experimentally and modeled by rate equations describing the electron and photon densities. Agreement between experiment and theory are achieved when the transition probability matrix, calculated with the spreading out of electron and hole wave functions taken into account, is used. The phonon assisted stimulated photon emission observed in this work is delayed with respect to the unassisted emission. This observation is modeled by using a weaker matrix element for the unassisted process which is expected from theory and thus supports the author' claim that this emission is phonon assisted. Rate equations developed to simulate doubly stimulated emission of photons and phonons do not describe the experimental data so the possibility of stimulated phonon emission is ruled out for the samples studied in this work. Vertical Cavity Surface Emitting Lasers are also studied since they can be designed to support unique lasing processes. The design and growth of vertical cavity surface emitting lasers are discussed and these concepts are applied to the realization of a vertical cavity surface emitting laser with the thinnest active layer of any laser yet reported. Stimulated emission supported across the sub-monolayer thick InAs single quantum well active region can be understood by considering the spreading of the electron and hole wavefunctions beyond the confines of the quantum well to increase the length of the effective gain region.
The manifestation of spin-phonon coupling in CaMnO{sub 3}
Goian, V. Kamba, S.; Borodavka, F.; Nuzhnyy, D.; Savinov, M.; Belik, A. A.
2015-04-28
Recently predicted presence of spin-phonon coupling in the CaMnO{sub 3} is experimentally confirmed in infrared (IR), Raman and time-domain THz spectra. Most of phonon frequencies seen below 350 cm{sup −1} exhibit significant shifts on cooling below antiferromagnetic phase transition at T{sub N} ≅ 120 K. Moreover, several new modes activate in the IR and Raman spectra on cooling below T{sub N}. Sum of phonon contributions to static permittivity exhibits small but reliable anomaly at T{sub N}. On the other hand, the spin-phonon coupling is not manifested in temperature dependence of radio-frequency permittivity, because intrinsic permittivity is screened by extrinsic contribution from conductivity, which enhances the permittivity to giant values.
Wu, Tsung-Tsong; Hsu, Jin-Chen; Sun, Jia-Hong
2011-10-01
In the past two decades, phononic crystals (PCs) which consist of periodically arranged media have attracted considerable interest because of the existence of complete frequency band gaps and maneuverable band structures. Recently, Lamb waves in thin plates with PC structures have started to receive increasing attention for their potential applications in filters, resonators, and waveguides. This paper presents a review of recent works related to phononic plate waves which have recently been published by the authors and coworkers. Theoretical and experimental studies of Lamb waves in 2-D PC plate structures are covered. On the theoretical side, analyses of Lamb waves in 2-D PC plates using the plane wave expansion (PWE) method, finite-difference time-domain (FDTD) method, and finite-element (FE) method are addressed. These methods were applied to study the complete band gaps of Lamb waves, characteristics of the propagating and localized wave modes, and behavior of anomalous refraction, called negative refraction, in the PC plates. The theoretical analyses demonstrated the effects of PC-based negative refraction, lens, waveguides, and resonant cavities. We also discuss the influences of geometrical parameters on the guiding and resonance efficiency and on the frequencies of waveguide and cavity modes. On the experimental side, the design and fabrication of a silicon-based Lamb wave resonator which utilizes PC plates as reflective gratings to form the resonant cavity are discussed. The measured results showed significant improvement of the insertion losses and quality factors of the resonators when the PCs were applied. PMID:21989878
Travel Mode and Physical Activity at Sydney University
Rissel, Chris; Mulley, Corinne; Ding, Ding
2013-01-01
How staff and students travel to university can impact their physical activity level. An online survey of physical activity and travel behaviour was conducted in early November 2012 to inform planning of physical activity and active travel promotion programs at the University of Sydney, Australia as part of the “Sit Less, Move More” sub-committee of the Healthy University Initiative, and as baseline data for evaluation. There were 3,737 useable responses, 60% of which were from students. Four out of five respondents travelled to the University on the day of interest (Tuesday, November 30, 2012). The most frequently used travel modes were train (32%), car as driver (22%), bus (17%), walking (17%) and cycling (6%). Staff were twice as likely to drive as students, and also slightly more likely to use active transport, defined as walking and cycling (26% versus 22%). Overall, 41% of respondents were sufficiently active (defined by meeting physical activity recommendations of 150 min per week). Participants were more likely to meet physical activity recommendations if they travelled actively to the University. With a high proportion of respondents using active travel modes or public transport already, increasing the physical activity levels and increasing the use of sustainable travel modes would mean a mode shift from public transport to walking and cycling for students is needed and a mode shift from driving to public transport or active travel for University staff. Strategies to achieve this are discussed. PMID:23939390
Non-equilibrium phonon generation and detection in microstructure devices
Hertzberg, Jared B.; Otelaja, Obafemi O.; Yoshida, Naoki J.; Robinson, Richard D.
2011-01-01
We demonstrate a method to excite locally a controllable, non-thermal distribution of acoustic phonon modes ranging from 0 to -200 GHz in a silicon microstructure, by decay of excited quasiparticle states in an attached superconducting tunnel junction (STJ). The phonons transiting the structure ballistically are detected by a second STJ, allowing comparison of direct with indirect transport pathways. This method may be applied to study how different phonon modes contribute to the thermal conductivity of nanostructures.
Phonon Spectrum of SrFe2As2 determined by multizone phonon refinement
Parshall, D; Heid, R; Niedziela, Jennifer L; Wolf, Th.; Stone, Matthew B; Abernathy, Douglas L; Reznik, Dmitry
2014-01-01
The ferropnictidesuperconductors exhibit a sensitive interplay between the lattice and magnetic degrees of freedom, including a number of phonon modes that are much softer than predicted by nonmagnetic calculations using density functional theory (DFT). However, it is not known what effect, if any, the long-range magnetic order has on phonon frequencies above 23 meV, where several phonon branches are very closely spaced in energy and it is challenging to isolate them from each other. We measured these phonons using inelastic time-of-flight neutron scattering in 40 Brillouin zones, and developed a technique to determine their frequencies. We find this method capable of determining phonon energies to 0.1 meV accuracy, and that the DFT calculations using the experimental structure yield qualitatively correct energies and eigenvectors. We do not find any effect of the magnetic transition on these phonons.
Relaxation of a hot-electron-two-mode-phonon system in highly excited CdS1-xSex crystals
NASA Astrophysics Data System (ADS)
Žukauskas, A.; Juršėnas, S.
1995-02-01
An investigation of the electron-hole-plasma effective-temperature relaxation in highly excited CdS1-xSex mixed crystals is presented. The slow (~100-ps) relaxation stage, attributed to the depopulation of the fragments (decay products) of the initially produced nonequilibrium LO phonons, is examined with variation of the alloy composition. The relevant relaxation time dependence on x exhibiting a remarkable drop at small CdSe mole fractions is analyzed in terms of a two-route energy relaxation model considering hot-carrier plasma and two generations of nonequilibrium phonons each originating from both pure constituents of the alloy. The disorder-enhanced cross relaxation between two sublattices of the alloy is inferred to account for the experimental results.
Anharmonicity due to Electron-Phonon Coupling in Magnetite
NASA Astrophysics Data System (ADS)
Hoesch, Moritz; Piekarz, Przemysław; Bosak, Alexey; Le Tacon, Mathieu; Krisch, Michael; Kozłowski, Andrzej; Oleś, Andrzej M.; Parlinski, Krzysztof
2013-05-01
We present the results of inelastic x-ray scattering for magnetite and analyze the energies and widths of the phonon modes with different symmetries in a broad range of temperature 125
Subpicosecond solitons in an actively mode-locked fiber laser
NASA Astrophysics Data System (ADS)
Jones, D. J.; Haus, H. A.; Ippen, E. P.
1996-11-01
Experimental results are presented for a study of the stability regime of an actively mode-locked polarization-maintaining fiber ring laser used as a memory. Observations indicate that the pulse widths in the memory can be reduced (by soliton effects) by a factor of approximately 4.4 below the pulse widths predicted by standard active mode-locking theory. Stability regions for the solitons are mapped and compared with theoretical predictions.
Ellis, Chase T; Tischler, Joseph G; Glembocki, Orest J; Bezares, Francisco J; Giles, Alexander J; Kasica, Richard; Shirey, Loretta; Owrutsky, Jeffrey C; Chigrin, Dmitry N; Caldwell, Joshua D
2016-01-01
Polar dielectrics have garnered much attention as an alternative to plasmonic metals in the mid- to long-wave infrared spectral regime due to their low optical losses. As such, nanoscale resonators composed of these materials demonstrate figures of merit beyond those achievable in plasmonic equivalents. However, until now, only low-order, phonon-mediated, localized polariton resonances, known as surface phonon polaritons (SPhPs), have been observed in polar dielectric optical resonators. In the present work, we investigate the excitation of 16 distinct high-order, multipolar, localized surface phonon polariton resonances that are optically excited in rectangular pillars etched into a semi-insulating silicon carbide substrate. By elongating a single pillar axis we are able to significantly modify the far- and near-field properties of localized SPhP resonances, opening the door to realizing narrow-band infrared sources with tailored radiation patterns. Such control of the near-field behavior of resonances can also impact surface enhanced infrared optical sensing, which is mediated by polarization selection rules, as well as the morphology and strength of resonator hot spots. Furthermore, through the careful choice of polar dielectric material, these results can also serve as the guiding principles for the generalized design of optical devices that operate from the mid- to far-infrared. PMID:27622525
Bragaglia, V.; Holldack, K.; Boschker, J. E.; Arciprete, F.; Zallo, E.; Flissikowski, T.; Calarco, R.
2016-01-01
A combination of far-infrared and Raman spectroscopy is employed to investigate vibrational modes and the carrier behavior in amorphous and crystalline ordered GeTe-Sb2Te3 alloys (GST) epitaxially grown on Si(111). The infrared active GST mode is not observed in the Raman spectra and vice versa, indication of the fact that inversion symmetry is preserved in the metastable cubic phase in accordance with the Fm3 space group. For the trigonal phase, instead, a partial symmetry break due to Ge/Sb mixed anion layers is observed. By studying the crystallization process upon annealing with both the techniques, we identify temperature regions corresponding to the occurrence of different phases as well as the transition from one phase to the next. Activation energies of 0.43 eV and 0.08 eV for the electron conduction are obtained for both cubic and trigonal phases, respectively. In addition a metal-insulator transition is clearly identified to occur at the onset of the transition between the disordered and the ordered cubic phase. PMID:27340085
NASA Astrophysics Data System (ADS)
Bragaglia, V.; Holldack, K.; Boschker, J. E.; Arciprete, F.; Zallo, E.; Flissikowski, T.; Calarco, R.
2016-06-01
A combination of far-infrared and Raman spectroscopy is employed to investigate vibrational modes and the carrier behavior in amorphous and crystalline ordered GeTe-Sb2Te3 alloys (GST) epitaxially grown on Si(111). The infrared active GST mode is not observed in the Raman spectra and vice versa, indication of the fact that inversion symmetry is preserved in the metastable cubic phase in accordance with the Fm3 space group. For the trigonal phase, instead, a partial symmetry break due to Ge/Sb mixed anion layers is observed. By studying the crystallization process upon annealing with both the techniques, we identify temperature regions corresponding to the occurrence of different phases as well as the transition from one phase to the next. Activation energies of 0.43 eV and 0.08 eV for the electron conduction are obtained for both cubic and trigonal phases, respectively. In addition a metal-insulator transition is clearly identified to occur at the onset of the transition between the disordered and the ordered cubic phase.
Bragaglia, V; Holldack, K; Boschker, J E; Arciprete, F; Zallo, E; Flissikowski, T; Calarco, R
2016-01-01
A combination of far-infrared and Raman spectroscopy is employed to investigate vibrational modes and the carrier behavior in amorphous and crystalline ordered GeTe-Sb2Te3 alloys (GST) epitaxially grown on Si(111). The infrared active GST mode is not observed in the Raman spectra and vice versa, indication of the fact that inversion symmetry is preserved in the metastable cubic phase in accordance with the Fm3 space group. For the trigonal phase, instead, a partial symmetry break due to Ge/Sb mixed anion layers is observed. By studying the crystallization process upon annealing with both the techniques, we identify temperature regions corresponding to the occurrence of different phases as well as the transition from one phase to the next. Activation energies of 0.43 eV and 0.08 eV for the electron conduction are obtained for both cubic and trigonal phases, respectively. In addition a metal-insulator transition is clearly identified to occur at the onset of the transition between the disordered and the ordered cubic phase. PMID:27340085
Manipulation of Phonons with Phononic Crystals
Leseman, Zayd Chad
2015-07-09
There were three research goals associated with this project. First, was to experimentally demonstrate phonon spectrum control at THz frequencies using Phononic Crystals (PnCs), i.e. demonstrate coherent phonon scattering with PnCs. Second, was to experimentally demonstrate analog PnC circuitry components at GHz frequencies. The final research goal was to gain a fundamental understanding of phonon interaction using computational methods. As a result of this work, 7 journal papers have been published, 1 patent awarded, 14 conference presentations given, 4 conference publications, and 2 poster presentations given.
Gaikwad, V. M.; Acharya, S. A.
2013-11-21
In the present work, the low temperature infrared absorption spectra of BiFeO{sub 3} (BFO) are measured to explore the spin-phonon coupling in this compound. At 303 K, 4 weak transverse optic (TO) IR-active phonon modes E(TO6), E(TO7), E(TO8), and E(TO9) are observed. First two modes are corresponded to the Fe{sup 3+} cations caused by the internal vibration of FeO{sub 6} octahedra, E(TO8) is correlated to Fe-O bending vibration and E(TO9) is assigned to Fe-O stretching vibrations, respectively. At 213 K, two new modes E(TO5) and A1(TO3) are emerging out. Both are assigned to Fe{sup 3+} cations caused by the internal vibration of FeO{sub 6} octahedra. These modes get stronger and stronger with lowering the temperature due to the lattice contraction. When the temperatures decreases to T ≤ 213 K, an additional phonon mode is start appearing at around 638 cm{sup −1} suggesting local lattice distortion of FeO{sub 6} octahedra. The temperature is corresponding with the FC and zero field cooled bifurcation temperature, which is related to the onset of spin glass behaviour. The occurrence of this additional phonon mode at this particular temperature suggests that there is strong spin-phonon coupling in BFO. This argument is further supported by the temperature dependence of this additional phonon peak. It shows anomaly around 124 K, which is related to spin reorientation of Fe{sup 3+} ions. This result clearly indicates that spin glass state and spin reorientation of Fe{sup 3+} is accompanied with the local structure distortion of FeO{sub 6} octahedra, providing evidence for the strong spin-phonon coupling in the BFO.
Phonon Scattering Dynamics of Thermophoretic Motion in Carbon Nanotube Oscillators.
Prasad, Matukumilli V D; Bhattacharya, Baidurya
2016-04-13
Using phonon wave packet molecular dynamics simulations, we find that anomalous longitudinal acoustic (LA) mode phonon scattering in low to moderate energy ranges is responsible for initiating thermophoretic motion in carbon nanotube oscillators. The repeated scattering of a single mode LA phonon wave packet near the ends of the inner nanotube provides a net unbalanced force that, if large enough, initiates thermophoresis. By applying a coherent phonon pulse on the outer tube, which generalizes the single mode phonon wave packet, we are able to achieve thermophoresis in a carbon nanotube oscillator. We also find the nature of the unbalanced force on end-atoms to be qualitatively similar to that under an imposed thermal gradient. The thermodiffusion coefficient obtained for a range of thermal gradients and core lengths suggest that LA phonon scattering is the dominant mechanism for thermophoresis in longer cores, whereas for shorter cores, it is the highly diffusive mechanism that provides the effective force. PMID:26965789
Tunable Topological Phononic Crystals
NASA Astrophysics Data System (ADS)
Chen, Ze-Guo; Wu, Ying
2016-05-01
Topological insulators first observed in electronic systems have inspired many analogues in photonic and phononic crystals in which remarkable one-way propagation edge states are supported by topologically nontrivial band gaps. Such band gaps can be achieved by breaking the time-reversal symmetry to lift the degeneracy associated with Dirac cones at the corners of the Brillouin zone. Here, we report on our construction of a phononic crystal exhibiting a Dirac-like cone in the Brillouin zone center. We demonstrate that simultaneously breaking the time-reversal symmetry and altering the geometric size of the unit cell result in a topological transition that we verify by the Chern number calculation and edge-mode analysis. We develop a complete model based on the tight binding to uncover the physical mechanisms of the topological transition. Both the model and numerical simulations show that the topology of the band gap is tunable by varying both the velocity field and the geometric size; such tunability may dramatically enrich the design and use of acoustic topological insulators.
Active Suppression of the Transonic Flutter Using Sliding Mode Control
NASA Astrophysics Data System (ADS)
Degaki, Takanori; Suzuki, Shinji
This paper describes two-dimensional active flutter suppression to cope with the transonic dip using the sliding mode control. The airfoil model has plunge and pitch degrees of freedom with leading and trailing edge control surfaces. The aerodynamic forces acting on the airfoil, lift and pitching moment, are calculated by solving Euler's equations using computational fluid dynamics. At a specific altitude, flutter occurs between Mach number of 0.7 and 0.88, which corresponds to the transonic dip. The sliding mode control makes the airfoil to be stable all through the Mach number including the transonic dip. The sliding mode controller gives wider flutter margin than a linear quadratic regulator. These characteristics indicate that the sliding mode control is useful for active flutter suppression in the transonic flight.
Phonon thermal transport through tilt grain boundaries in strontium titanate
Zheng, Zexi; Chen, Xiang; Yang, Shengfeng; Xiong, Liming; Chen, Youping; Deng, Bowen; Chernatynskiy, Aleksandr
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. 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.
Edge phonons in black phosphorus
NASA Astrophysics Data System (ADS)
Ribeiro, H. B.; Villegas, C. E. P.; Bahamon, D. A.; Muraca, D.; Castro Neto, A. H.; de Souza, E. A. T.; Rocha, A. R.; Pimenta, M. A.; de Matos, C. J. S.
2016-07-01
Black phosphorus has recently emerged as a new layered crystal that, due to its peculiar and anisotropic crystalline and electronic band structures, may have important applications in electronics, optoelectronics and photonics. Despite the fact that the edges of layered crystals host a range of singular properties whose characterization and exploitation are of utmost importance for device development, the edges of black phosphorus remain poorly characterized. In this work, the atomic structure and behaviour of phonons near different black phosphorus edges are experimentally and theoretically studied using Raman spectroscopy and density functional theory calculations. Polarized Raman results show the appearance of new modes at the edges of the sample, and their spectra depend on the atomic structure of the edges (zigzag or armchair). Theoretical simulations confirm that the new modes are due to edge phonon states that are forbidden in the bulk, and originated from the lattice termination rearrangements.
Edge phonons in black phosphorus.
Ribeiro, H B; Villegas, C E P; Bahamon, D A; Muraca, D; Castro Neto, A H; de Souza, E A T; Rocha, A R; Pimenta, M A; de Matos, C J S
2016-01-01
Black phosphorus has recently emerged as a new layered crystal that, due to its peculiar and anisotropic crystalline and electronic band structures, may have important applications in electronics, optoelectronics and photonics. Despite the fact that the edges of layered crystals host a range of singular properties whose characterization and exploitation are of utmost importance for device development, the edges of black phosphorus remain poorly characterized. In this work, the atomic structure and behaviour of phonons near different black phosphorus edges are experimentally and theoretically studied using Raman spectroscopy and density functional theory calculations. Polarized Raman results show the appearance of new modes at the edges of the sample, and their spectra depend on the atomic structure of the edges (zigzag or armchair). Theoretical simulations confirm that the new modes are due to edge phonon states that are forbidden in the bulk, and originated from the lattice termination rearrangements. PMID:27412813
Edge phonons in black phosphorus
Ribeiro, H. B.; Villegas, C. E. P.; Bahamon, D. A.; Muraca, D.; Castro Neto, A. H.; de Souza, E. A. T.; Rocha, A. R.; Pimenta, M. A.; de Matos, C. J. S.
2016-01-01
Black phosphorus has recently emerged as a new layered crystal that, due to its peculiar and anisotropic crystalline and electronic band structures, may have important applications in electronics, optoelectronics and photonics. Despite the fact that the edges of layered crystals host a range of singular properties whose characterization and exploitation are of utmost importance for device development, the edges of black phosphorus remain poorly characterized. In this work, the atomic structure and behaviour of phonons near different black phosphorus edges are experimentally and theoretically studied using Raman spectroscopy and density functional theory calculations. Polarized Raman results show the appearance of new modes at the edges of the sample, and their spectra depend on the atomic structure of the edges (zigzag or armchair). Theoretical simulations confirm that the new modes are due to edge phonon states that are forbidden in the bulk, and originated from the lattice termination rearrangements. PMID:27412813
Phonon populations and electrical power dissipation in carbon nanotube transistors.
Steiner, Mathias; Freitag, Marcus; Perebeinos, Vasili; Tsang, James C; Small, Joshua P; Kinoshita, Megumi; Yuan, Dongning; Liu, Jie; Avouris, Phaedon
2009-05-01
Carbon nanotubes and graphene are candidate materials for nanoscale electronic devices. Both materials show weak acoustic phonon scattering and long mean free paths for low-energy charge carriers. However, high-energy carriers couple strongly to optical phonons, which leads to current saturation and the generation of hot phonons. A non-equilibrium phonon distribution has been invoked to explain the negative differential conductance observed in suspended metallic nanotubes, while Raman studies have shown the electrical generation of hot G-phonons in metallic nanotubes. Here, we present a complete picture of the phonon distribution in a functioning nanotube transistor including the G and the radial breathing modes, the Raman-inactive zone boundary K mode and the intermediate-frequency mode populated by anharmonic decay. The effective temperatures of the high- and intermediate-frequency phonons are considerably higher than those of acoustic phonons, indicating a phonon-decay bottleneck. Most importantly, inclusion of scattering by substrate polar phonons is needed to fully account for the observed electronic transport behaviour. PMID:19421219
Soft surfaces of nanomaterials enable strong phonon interactions
NASA Astrophysics Data System (ADS)
Bozyigit, Deniz; Yazdani, Nuri; Yarema, Maksym; Yarema, Olesya; Lin, Weyde Matteo Mario; Volk, Sebastian; Vuttivorakulchai, Kantawong; Luisier, Mathieu; Juranyi, Fanni; Wood, Vanessa
2016-03-01
Phonons and their interactions with other phonons, electrons or photons drive energy gain, loss and transport in materials. Although the phonon density of states has been measured and calculated in bulk crystalline semiconductors, phonons remain poorly understood in nanomaterials, despite the increasing prevalence of bottom-up fabrication of semiconductors from nanomaterials and the integration of nanometre-sized components into devices. Here we quantify the phononic properties of bottom-up fabricated semiconductors as a function of crystallite size using inelastic neutron scattering measurements and ab initio molecular dynamics simulations. We show that, unlike in microcrystalline semiconductors, the phonon modes of semiconductors with nanocrystalline domains exhibit both reduced symmetry and low energy owing to mechanical softness at the surface of those domains. These properties become important when phonons couple to electrons in semiconductor devices. Although it was initially believed that the coupling between electrons and phonons is suppressed in nanocrystalline materials owing to the scarcity of electronic states and their large energy separation, it has since been shown that the electron–phonon coupling is large and allows high energy-dissipation rates exceeding one electronvolt per picosecond (refs 10, 11, 12, 13). Despite detailed investigations into the role of phonons in exciton dynamics, leading to a variety of suggestions as to the origins of these fast transition rates and including attempts to numerically calculate them, fundamental questions surrounding electron–phonon interactions in nanomaterials remain unresolved. By combining the microscopic and thermodynamic theories of phonons and our findings on the phononic properties of nanomaterials, we are able to explain and then experimentally confirm the strong electron–phonon coupling and fast multi-phonon transition rates of charge carriers to trap states. This improved understanding of
Soft surfaces of nanomaterials enable strong phonon interactions.
Bozyigit, Deniz; Yazdani, Nuri; Yarema, Maksym; Yarema, Olesya; Lin, Weyde Matteo Mario; Volk, Sebastian; Vuttivorakulchai, Kantawong; Luisier, Mathieu; Juranyi, Fanni; Wood, Vanessa
2016-03-31
Phonons and their interactions with other phonons, electrons or photons drive energy gain, loss and transport in materials. Although the phonon density of states has been measured and calculated in bulk crystalline semiconductors, phonons remain poorly understood in nanomaterials, despite the increasing prevalence of bottom-up fabrication of semiconductors from nanomaterials and the integration of nanometre-sized components into devices. Here we quantify the phononic properties of bottom-up fabricated semiconductors as a function of crystallite size using inelastic neutron scattering measurements and ab initio molecular dynamics simulations. We show that, unlike in microcrystalline semiconductors, the phonon modes of semiconductors with nanocrystalline domains exhibit both reduced symmetry and low energy owing to mechanical softness at the surface of those domains. These properties become important when phonons couple to electrons in semiconductor devices. Although it was initially believed that the coupling between electrons and phonons is suppressed in nanocrystalline materials owing to the scarcity of electronic states and their large energy separation, it has since been shown that the electron-phonon coupling is large and allows high energy-dissipation rates exceeding one electronvolt per picosecond (refs 10-13). Despite detailed investigations into the role of phonons in exciton dynamics, leading to a variety of suggestions as to the origins of these fast transition rates and including attempts to numerically calculate them, fundamental questions surrounding electron-phonon interactions in nanomaterials remain unresolved. By combining the microscopic and thermodynamic theories of phonons and our findings on the phononic properties of nanomaterials, we are able to explain and then experimentally confirm the strong electron-phonon coupling and fast multi-phonon transition rates of charge carriers to trap states. This improved understanding of phonon processes
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.
Phonon-assisted nonlinear optical processes in ultrashort-pulse pumped optical parametric amplifiers
Isaienko, Oleksandr; Robel, István
2016-01-01
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. PMID:26975881
NASA Astrophysics Data System (ADS)
Huewe, Florian; Steeger, Alexander; Bauer, Irene; Doerrich, Steffen; Strohriegl, Peter; Pflaum, Jens
2015-10-01
We present a dynamical study on the nonlinear conduction behavior in the commensurate charge-density-wave phase of the quasi-one-dimensional conductor DCNQI2Cu below 75 K. We can accurately simulate magnitude and time dependence of the measured conductivity in response to large voltage pulses by accounting for the energy exchange between the phononic and electronic subsystems by means of an electrothermal model. Our simulations reveal a distinct nonequilibrium population of optical phonon states with an average energy of Eph¯=19 meV, being half the activation energy of about Δ Ea=39 meV observed in dc resistivity measurements. By inelastic scattering, this hot optical phonon bath generates additional charge-carrying excitations, thus providing a multiplication effect while energy transferred to the acoustic phonons is dissipated out of the system via heat conduction. Therefore, in high electric fields a preferred interaction of charge-carrying excitations with optical phonons compared to acoustic phonon modes is considered to be responsible for the nonlinear conduction effects observed in DCNQI2Cu .
Phonon-assisted nonlinear optical processes in ultrashort-pulse pumped optical parametric amplifiers
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 PNL of the impulsively excited phonons and those of parametrically amplified waves.« less
Isaienko, Oleksandr; Robel, István
2016-01-01
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 P(NL) of the impulsively excited phonons and those of parametrically amplified waves. PMID:26975881
Phonon anharmonicity in bulk Td-MoTe2
NASA Astrophysics Data System (ADS)
Joshi, Jaydeep; Stone, Iris R.; Beams, Ryan; Krylyuk, Sergiy; Kalish, Irina; Davydov, Albert V.; Vora, Patrick M.
2016-07-01
We examine anharmonic contributions to the optical phonon modes in bulk Td-MoTe2 through temperature-dependent Raman spectroscopy. At temperatures ranging from 100 K to 200 K, we find that all modes redshift linearly with temperature in agreement with the Grüneisen model. However, below 100 K, we observe nonlinear temperature-dependent frequency shifts in some modes. We demonstrate that this anharmonic behavior is consistent with the decay of an optical phonon into multiple acoustic phonons. Furthermore, the highest frequency Raman modes show large changes in intensity and linewidth near T ≈ 250 K that correlate well with the T d → 1 T ' structural phase transition. These results suggest that phonon-phonon interactions can dominate anharmonic contributions at low temperatures in bulk Td-MoTe2, an experimental regime that is currently receiving attention in efforts to understand Weyl semimetals.
NASA Technical Reports Server (NTRS)
Matsko, Andrey B. (Inventor); Ilchenko, Vladimir (Inventor); Savchenkov, Anatoliy (Inventor); Maleki, Lutfollah (Inventor)
2006-01-01
Techniques and devices using whispering gallery mode (WGM) optical resonators, where the optical materials of the WGM resonators exhibit an electro-optical effect to perform optical modulation. Examples of actively mode-locked lasers and other devices are described.
NASA Astrophysics Data System (ADS)
Suthar, P. H.; Gajjar, P. N.; Thakore, B. Y.; Jani, A. R.
2013-04-01
A phonon modes and elastic properties of two different rare-earth based bulk metallic glasses Sc36Al24Co20Y20 and Gd36Al24Co20Y20 are computed using Hubbard-Beeby approach and our well established model potential. The local field correlation functions due to Hartree (H), Taylor (T), Ichimaru and Utsumi (IU), Farid et al (F) and Sarkar Sen et al (S) are employed to investigate the influence of the screening effects on the vibrational dynamics of Sc36Al24Co20Y20 and Gd36Al24Co20Y20 bulk metallic glasses. The results for bulk modulus BT, modulus of rigidity G, Poisson's ratio ξ, Young's modulus Y, Debye temperature ΘD, propagation velocity of elastic waves and dispersion curves are reported. The computed elastic properties are found to be in good agreement with experimental and other available data.
Lattice dynamics and electron-phonon interaction in Bi/Bi2Te3 (111) heteroepitaxial film
NASA Astrophysics Data System (ADS)
Huang, G. Q.; Li, B.
2013-12-01
Bi/Bi2Te3 (111) heteroepitaxial film is a novel system which combines two-dimensional and three-dimensional topological insulators. The lattice dynamical properties and the electron-phonon coupling in this heteroepitaxial film are calculated by including spin-orbit coupling from density functional perturbation theory. Full phonon dispersion curves are calculated and the zone-center Raman active modes are analyzed. There is a large mismatch in the phonon densities of states between ultrathin Bi deposited layers and Bi2Te3 substrate, which might have a significant improvement of thermoelectric performance of this system. The large electron-phonon coupling λ in Bi/Bi2Te3 heteroepitaxial film suggests that this system may hopefully become a topological superconductor.
Symmetry-adapted phonon analysis of nanotubes
NASA Astrophysics Data System (ADS)
Aghaei, Amin; Dayal, Kaushik; Elliott, Ryan S.
2013-02-01
The characteristics of phonons, i.e. linearized normal modes of vibration, provide important insights into many aspects of crystals, e.g. stability and thermodynamics. In this paper, we use the Objective Structures framework to make concrete analogies between crystalline phonons and normal modes of vibration in non-crystalline but highly symmetric nanostructures. Our strategy is to use an intermediate linear transformation from real-space to an intermediate space in which the Hessian matrix of second derivatives is block-circulant. The block-circulant nature of the Hessian enables us to then follow the procedure to obtain phonons in crystals: namely, we use the Discrete Fourier Transform from this intermediate space to obtain a block-diagonal matrix that is readily diagonalizable. We formulate this for general Objective Structures and then apply it to study carbon nanotubes of various chiralities that are subjected to axial elongation and torsional deformation. We compare the phonon spectra computed in the Objective Framework with spectra computed for armchair and zigzag nanotubes. We also demonstrate the approach by computing the Density of States. In addition to the computational efficiency afforded by Objective Structures in providing the transformations to almost-diagonalize the Hessian, the framework provides an important conceptual simplification to interpret the phonon curves. Our findings include that, first, not all non-optic long-wavelength modes are zero energy and conversely not all zero energy modes are long-wavelength; second, the phonon curves accurately predict both the onset as well as the soft modes for instabilities such as torsional buckling; and third, unlike crystals where phonon stability does not provide information on stability with respect to non-rank-one deformation modes, phonon stability in nanotubes is sufficient to guarantee stability with respect to all perturbations that do not involve structural modes. Our finding of characteristic
[Intravesical active prostate bleeding diagnosed in B-mode ultrasound].
Kirchgesner, T; Danse, E; Tombal, B
2013-09-01
Hematuria is one of the most frequent minor complications after prostatic biopsy. We would like to report the case of a 68-year-old patient with massive hematuria after prostatic biopsy and intravesical active prostate bleeding diagnosed in B-mode ultrasonography. PMID:24034804
NASA Astrophysics Data System (ADS)
Hoffmann, S. K.; Goslar, J.
2015-07-01
The results of X-band electron spin resonance (ESR) and electron spin echo (ESE) measurements for free radicals generated in Cd(HCOO)2·2H2O single crystal are presented. From ESR spectra analysis the radicals were identified as \\text{CO}2- after x-ray irradiation and as HOCO after γ-ray irradiation. The room temperature g-factors are: g|| = 1.9969 and g⊥ = 2.0024 for \\text{CO}2- and g1 = 2.0087, g2 = 2.0029 and g3 = 1.9960 for HOCO. Axial g-tensor symmetry for \\text{CO}2- is due to fast reorientation of the radical molecule around the g||-axis. Assignment of HOCO is confirmed by hyperfine splitting (Amax = 0.4 mT) from a single distant proton. Spin lattice relaxation rate was determined from ESE measurements in temperature range 4-250 K. Both radicals relax via local resonance mode lying within acoustic phonon branch. The existing theories of electron spin-lattice relaxation via local resonance mode are critically reviewed and compared with experimental data. A new approximation is proposed giving local mode energy \\hbar {ωR} = 56 cm-1 for \\text{CO}2- and \\hbar {ωR} = 44 cm-1 for the HOCO-radical.
Engaging in activities involving information technology: dimensions, modes, and flow.
Montgomery, Henry; Sharafi, Parvaneh; Hedman, Leif R
2004-01-01
An engagement mode involves a subject (e.g., a user of information technology, or IT) who is engaged in an activity with an object in a certain manner (the mode). The purpose of this study is to develop a general model of engagement modes that may be used for understanding how IT-related activities are shaped by properties of the user and the IT object. A questionnaire involving items on IT engagement and the experience of flow was administered to 300 participants. The results supported an engagement mode (EM) model involving 5 different engagement modes (enjoying/acceptance, ambition/curiosity, avoidance/hesitation, frustration/ anxiety, and efficiency/productivity) characterized on 3 dimensions (evaluation of object, locus of control between subject and object, and intrinsic or extrinsic focus of motivation). The flow experience follows from a balance between enjoying/ acceptance and efficiency/productivity propelled by ambition/curiosity. The EM model could provide a platform for considering how IT users, IT applications, and IT environments should work together to yield both enjoyment and efficiency. Actual or potential applications of this research include designing IT training programs on different levels of specificity. PMID:15359681
Phonon bandgap engineering of strained monolayer MoS2
NASA Astrophysics Data System (ADS)
Jiang, Jin-Wu
2014-06-01
The phonon band structure of monolayer MoS2 is characteristic of a large energy gap between acoustic and optical branches, which protects the vibration of acoustic modes from being scattered by optical phonon modes. Therefore, the phonon bandgap engineering is of practical significance for the manipulation of phonon-related mechanical or thermal properties in monolayer MoS2. We perform both phonon analysis and molecular dynamics simulations to investigate the tension effect on the phonon bandgap and the compression induced instability of the monolayer MoS2. Our key finding is that the phonon bandgap can be narrowed by the uniaxial tension, and is completely closed at ε = 0.145; while the biaxial tension only has a limited effect on the phonon bandgap. We also demonstrate the compression induced buckling for the monolayer MoS2. The critical strain for buckling is extracted from the band structure analysis of the flexure mode in the monolayer MoS2 and is further verified by molecular dynamics simulations and the Euler buckling theory. Our study illustrates the uniaxial tension as an efficient method for manipulating the phonon bandgap of the monolayer MoS2, while the biaxial compression as a powerful tool to intrigue buckling in the monolayer MoS2.
Phonon bandgap engineering of strained monolayer MoS₂.
Jiang, Jin-Wu
2014-07-21
The phonon band structure of monolayer MoS₂ is characteristic of a large energy gap between acoustic and optical branches, which protects the vibration of acoustic modes from being scattered by optical phonon modes. Therefore, the phonon bandgap engineering is of practical significance for the manipulation of phonon-related mechanical or thermal properties in monolayer MoS₂. We perform both phonon analysis and molecular dynamics simulations to investigate the tension effect on the phonon bandgap and the compression induced instability of the monolayer MoS₂. Our key finding is that the phonon bandgap can be narrowed by the uniaxial tension, and is completely closed at ε = 0.145; while the biaxial tension only has a limited effect on the phonon bandgap. We also demonstrate the compression induced buckling for the monolayer MoS₂. The critical strain for buckling is extracted from the band structure analysis of the flexure mode in the monolayer MoS₂ and is further verified by molecular dynamics simulations and the Euler buckling theory. Our study illustrates the uniaxial tension as an efficient method for manipulating the phonon bandgap of the monolayer MoS₂, while the biaxial compression as a powerful tool to intrigue buckling in the monolayer MoS₂. PMID:24932612
Phonon analogue of topological nodal semimetals
NASA Astrophysics Data System (ADS)
Po, Hoi Chun; Bahri, Yasaman; Vishwanath, Ashvin
2015-03-01
Recently, Kane and Lubensky proposed a mapping between bosonic phonon problems on isostatic lattices to chiral fermion systems based on factorization of the dynamical matrix [Nat. Phys. 10, 39 (2014)]. The existence of topologically protected zero modes in such mechanical problems is related to their presence in the fermionic system and is dictated by a local index theorem. Here we adopt the proposed mapping to construct a two-dimensional mechanical analogue of a fermionic topological nodal semimetal that hosts a robust bulk node in its linearized phonon spectrum. Such topologically protected soft modes with tunable wavevector may be useful in designing mechanical structures with fault-tolerant properties.
Phononic Phase Conjugation in an Optomechanical System
NASA Astrophysics Data System (ADS)
Buchmann, Lukas; Wright, Ewan; Meystre, Pierre
2013-05-01
We study theoretically the phase conjugation of a phononic field in an optomechanical system with two mechanical modes coupled to a common optical field. Phase conjugation becomes the dominant process for an appropriate choice of driving field parameters, and he effective coupling coefficients between phonon modes can result in amplification and entanglement, phase-conjugation or a mixture thereof. We discuss surprising consequences of mechanical phase-conjugation that could lead to the preparation of mechanical states with negative temperature, the improvement of quantum memories and the study of the quantum-classical transition. Supported by DARPA ORCHID program.
Revision of the statistical mechanics of phonons to include phonon line widths
Overton, W.C. Jr.
1983-01-01
Zubarev in 1960 obtained the smeared Bose-Einstein (B-E) function in order to take into account the fact that the eigenenergy associated with a fixed phonon wave vector q and fixed polarization index j is not precisely defined but instead, is smeared by phonon-phonon and phonon-electron interactions. The ratio GAMMA(qj)/..omega..(qj) is often quite small, i.e., of the order of 0.01 or less, where GAMMA is the phonon linewidth and h-bar ..omega.. is the eigenenergy. However, in strongly anharmonic crystals GAMMA/..omega.. may be as large as 0.3 at certain points of the Brillouin zone. In such dramatic cases one would suspect that such phonon linewidths would have some observable effect on the thermodynamic properties. The purpose of this work is to derive the expression for the average free energy per mode for a crystal having large phonon linewidths and to test the properties of the thermodynamic functions derivable from the average free energy per mode. (WHK)
Phonon Dispersion and Electron--Phonon Interaction in Peanut-Shaped Fullerene Polymers
NASA Astrophysics Data System (ADS)
Ono, Shota; Shima, Hiroyuki
2011-06-01
We reveal that the periodic radius modulation peculiar to one-dimensional (1D) peanut-shaped fullerene (C60) polymers exerts a strong influence on their low-frequency phonon states and their interactions with mobile electrons. The continuum approximation is employed to show the zone-folding of phonon dispersion curves, which leads to fast relaxation of a radial breathing mode in the 1D C60 polymers. We also formulate the electron--phonon interaction along the deformation potential theory, demonstrating that only a few set of electron and phonon modes yields a significant magnitude of the interaction relevant to the low-temperature physics of the system. The latter finding gives an important implication for the possible Peierls instability of the C60 polymers suggested in the earlier experiment.
Phonon anharmonicity of monoclinic zirconia and yttrium-stabilized zirconia
Li, Chen W.; Smith, Hillary L.; Lan, Tian; Niedziela, Jennifer L.; Munoz, Jorge A.; Keith, J. Brian; Mauger, L.; Abernathy, Douglas L; Fultz, B.
2015-04-13
Inelastic neutron scattering measurements on monoclinic zirconia (ZrO2) 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 somewhat moremore » 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
Phonon anharmonicity of monoclinic zirconia and yttrium-stabilized zirconia
Li, Chen W.; Smith, Hillary L.; Lan, Tian; Niedziela, Jennifer L.; Munoz, Jorge A.; Keith, J. Brian; Mauger, L.; Abernathy, Douglas L; Fultz, B.
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 somewhat 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.
Strong and Coherent Coupling between Localized and Propagating Phonon Polaritons.
Gubbin, Christopher R; Martini, Francesco; Politi, Alberto; Maier, Stefan A; De Liberato, Simone
2016-06-17
Following the recent observation of localized phonon polaritons in user-defined silicon carbide nanoresonators, here we demonstrate strong and coherent coupling between those localized modes and propagating phonon polaritons bound to the surface of the nanoresonator's substrate. In order to obtain phase matching, the nanoresonators have been fabricated to serve the double function of hosting the localized modes, while also acting as a grating for the propagating ones. The coherent coupling between long lived, optically accessible localized modes, and low-loss propagative ones, opens the way to the design and realization of phonon-polariton based coherent circuits. PMID:27367398
Strong and Coherent Coupling between Localized and Propagating Phonon Polaritons
NASA Astrophysics Data System (ADS)
Gubbin, Christopher R.; Martini, Francesco; Politi, Alberto; Maier, Stefan A.; De Liberato, Simone
2016-06-01
Following the recent observation of localized phonon polaritons in user-defined silicon carbide nanoresonators, here we demonstrate strong and coherent coupling between those localized modes and propagating phonon polaritons bound to the surface of the nanoresonator's substrate. In order to obtain phase matching, the nanoresonators have been fabricated to serve the double function of hosting the localized modes, while also acting as a grating for the propagating ones. The coherent coupling between long lived, optically accessible localized modes, and low-loss propagative ones, opens the way to the design and realization of phonon-polariton based coherent circuits.
Topological Phonons and Weyl Lines in Three Dimensions
NASA Astrophysics Data System (ADS)
Stenull, Olaf; Kane, C. L.; Lubensky, T. C.
2016-08-01
Topological mechanics and phononics have recently emerged as an exciting field of study. Here we introduce and study generalizations of the three-dimensional pyrochlore lattice that have topologically protected edge states and Weyl lines in their bulk phonon spectra, which lead to zero surface modes that flip from one edge to the opposite as a function of surface wave number.
Topological Phonons and Weyl Lines in Three Dimensions.
Stenull, Olaf; Kane, C L; Lubensky, T C
2016-08-01
Topological mechanics and phononics have recently emerged as an exciting field of study. Here we introduce and study generalizations of the three-dimensional pyrochlore lattice that have topologically protected edge states and Weyl lines in their bulk phonon spectra, which lead to zero surface modes that flip from one edge to the opposite as a function of surface wave number. PMID:27541476
Meditation leads to reduced default mode network activity beyond an active task.
Garrison, Kathleen A; Zeffiro, Thomas A; Scheinost, Dustin; Constable, R Todd; Brewer, Judson A
2015-09-01
Meditation has been associated with relatively reduced activity in the default mode network, a brain network implicated in self-related thinking and mind wandering. However, previous imaging studies have typically compared meditation to rest, despite other studies having reported differences in brain activation patterns between meditators and controls at rest. Moreover, rest is associated with a range of brain activation patterns across individuals that has only recently begun to be better characterized. Therefore, in this study we compared meditation to another active cognitive task, both to replicate the findings that meditation is associated with relatively reduced default mode network activity and to extend these findings by testing whether default mode activity was reduced during meditation, beyond the typical reductions observed during effortful tasks. In addition, prior studies had used small groups, whereas in the present study we tested these hypotheses in a larger group. The results indicated that meditation is associated with reduced activations in the default mode network, relative to an active task, for meditators as compared to controls. Regions of the default mode network showing a Group × Task interaction included the posterior cingulate/precuneus and anterior cingulate cortex. These findings replicate and extend prior work indicating that the suppression of default mode processing may represent a central neural process in long-term meditation, and they suggest that meditation leads to relatively reduced default mode processing beyond that observed during another active cognitive task. PMID:25904238
Meditation leads to reduced default mode network activity beyond an active task
Garrison, Kathleen A.; Zeffiro, Thomas A.; Scheinost, Dustin; Constable, R. Todd; Brewer, Judson A.
2015-01-01
Meditation has been associated with relatively reduced activity in the default mode network, a brain network implicated in self-related thinking and mind wandering. However, previous imaging studies have typically compared meditation to rest despite other studies reporting differences in brain activation patterns between meditators and controls at rest. Moreover, rest is associated with a range of brain activation patterns across individuals that has only recently begun to be better characterized. Therefore, this study compared meditation to another active cognitive task, both to replicate findings that meditation is associated with relatively reduced default mode network activity, and to extend these findings by testing whether default mode activity was reduced during meditation beyond the typical reductions observed during effortful tasks. In addition, prior studies have used small groups, whereas the current study tested these hypotheses in a larger group. Results indicate that meditation is associated with reduced activations in the default mode network relative to an active task in meditators compared to controls. Regions of the default mode showing a group by task interaction include the posterior cingulate/precuneus and anterior cingulate cortex. These findings replicate and extend prior work indicating that suppression of default mode processing may represent a central neural process in long-term meditation, and suggest that meditation leads to relatively reduced default mode processing beyond that observed during another active cognitive task. PMID:25904238
Phonon dispersions and structural transitions of CrO2 under high pressure
NASA Astrophysics Data System (ADS)
Kim, Sooran; Kim, Kyoo; Kang, Chang-Jong; Min, B. I.
2012-02-01
Phonon dispersions of chromium dioxide (CrO2) are calculated to investigate the structural phase transitions as a function of pressure. The structural phase transition has been confirmed from the ground state tetragonal CrO2 of rutile-type (t-CrO2) to the orthorhombic CrO2 of CaCl2-type (o-CrO2). The ferromagnetic and half-metallic property is preserved even in o-CrO2. The softening of Raman-active B1g phonon mode, which is relevant to the above structural transition, is also obtained. We will discuss the possible more structural phase transitions from o-CrO2 and the related phonon and magnetic properties at much higher pressure.
Wong, Joe; Krisch, M.; Farber, D.; Occelli, F.; Schwartz, A.; Chiang, T.C.; Wall, M.; Boro, C.; Xu, Ruqing
2010-11-16
high resolution inelastic x-ray scattering (HRIXS) capability on ID28. The complete PDCs for an fcc Pu-0.6 wt% Ga alloy are plotted in Figure 2, and represent the first full set of phonon dispersions ever determined for any Pu-bearing materials. The solid curves (red) are calculated using a standard Born-von Karman (B-vK) force constant model. An adequate fit to the experimental data is obtained if interactions up to the fourth-nearest neighbours are included. The dashed curves (blue) are recent dynamical mean field theory (DMFT) results by Dai et al. The elastic moduli calculated from the slopes of the experimental phonon dispersion curves near the {Lambda} point are: C{sub 11} = 35.3 {+-} 1.4 GPa, C{sub 12} = 25.5 {+-} 1.5 GPa and C{sub 44} = 30.53 {+-} 1.1 GPa. These values are in excellent agreement with those of the only other measurement on a similar alloy (1 wt % Ga) using ultrasonic techniques as well as with those recently calculated from a combined DMFT and linear response theory for pure {delta}-Pu. Several unusual features, including a large elastic anisotropy, a small shear elastic modulus C{prime}, a Kohn-like anomaly in the T{sub 1}[011] branch, and a pronounced softening of the [111] transverse modes are found. These features can be related to the phase transitions of plutonium and to strong coupling between the lattice structure and the 5f valence instabilities. The HRIXS results also provide a critical test for theoretical treatments of highly correlated 5f electron systems as exemplified by recent dynamical mean field theory (DMFT) calculations for {delta}-plutonium. The experimental-theoretical agreements shown in Figure 2 in terms of a low shear elastic modulus C{prime}, a Kohn-like anomaly in the T{sub 1}[011] branch, and a large softening of the T[111] modes give credence to the DMFT approach for the theoretical treatment of 5f electron systems of which {delta}-Pu is a classic example. However, quantitative differences remain. These are the
One-dimensional hypersonic phononic crystals.
Gomopoulos, N; Maschke, D; Koh, C Y; Thomas, E L; Tremel, W; Butt, H-J; Fytas, G
2010-03-10
We report experimental observation of a normal incidence phononic band gap in one-dimensional periodic (SiO(2)/poly(methyl methacrylate)) multilayer film at gigahertz frequencies using Brillouin spectroscopy. The band gap to midgap ratio of 0.30 occurs for elastic wave propagation along the periodicity direction, whereas for inplane propagation the system displays an effective medium behavior. The phononic properties are well captured by numerical simulations. The porosity in the silica layers presents a structural scaffold for the introduction of secondary active media for potential coupling between phonons and other excitations, such as photons and electrons. PMID:20141118
Resistive wall mode active control physics design for KSTAR
Park, Y. S. Sabbagh, S. A.; Bialek, J. M.; Berkery, J. W.; Bak, J. G.; Lee, S. G.; Oh, Y. K.
2014-01-15
As KSTAR H-mode operation approaches the region where the resistive wall mode (RWM) can be unstable, an important issue for future long pulse, high beta plasma operation is to evaluate RWM active feedback control performance using a planned active/passive RWM stabilization system on the device. In particular, an optimal design of feedback sensors allows mode stabilization up to the highest achievable β{sub N} close to the ideal with-wall limit, β{sub N}{sup wall}, with reduced control power requirements. The computed ideal n = 1 mode structure from the DCON code has been input to the VALEN-3D code to calculate the projected performance of an active RWM control system in the KSTAR three-dimensional conducting structure device geometry. Control performance with the midplane locked mode detection sensors, off-midplane saddle loops, and magnetic pickup coils is examined. The midplane sensors measuring the radial component of the mode perturbation is found to be strongly affected by the wall eddy current. The off-axis saddle loops with proper compensation of the prompt applied field are computed to provide stabilization at β{sub N} up to 86% of β{sub N}{sup wall} but the low RWM amplitude computed in the off-axis regions near the sensors can produce a low signal-to-noise ratio. The required control power and bandwidth are also estimated with varied noise levels in the feedback sensors. Further improvements have been explored by examining a new RWM sensor design motivated by the off-midplane poloidal magnetic field sensors in NSTX. The new sensors mounted off of the copper passive stabilizer plates near the device midplane show a clear advantage in control performance corresponding to achieving 99% of β{sub N}{sup wall} without the need of compensation of the prompt field. The result shows a significant improvement of RWM feedback stabilization using the new sensor set which motivates a future feedback sensor upgrade.
HBT-EP Program: Active MHD Mode Dynamics and Control
NASA Astrophysics Data System (ADS)
Navratil, G. A.; Bialek, J.; Boozer, A. H.; Byrne, P. J.; Donald, G. V.; Hughes, P. E.; Levesque, J. P.; Mauel, M. E.; Peng, Q.; Rhodes, D. J.; Stoafer, C. C.; Hansen, C. J.
2015-11-01
The HBT-EP active mode control research program aims to: (i) quantify external kink dynamics and multimode response to magnetic perturbations, (ii) understand the relationship between control coil configuration, conducting and ferritic wall effects, and active feedback control, and (iii) explore advanced feedback algorithms. Biorthogonal decomposition is used to observe multiple simultaneous resistive wall modes (RWM). A 512 core GPU-based low latency (14 μs) MIMO control system uses 96 inputs and 64 outputs for Adaptive Control of RWMs. An in-vessel adjustable ferritic wall is used to study ferritic RWMs with increased growth rates, RMP response, and disruptivity. A biased electrode in the plasma is used to control the rotation of external kinks and evaluate error fields. A Thomson scattering diagnostic measures Te and ne at 3 spatial points, soon to be extended to 10 points. A quasi-linear sharp-boundary model of the plasma's multimode response to error fields is developed to determine harmful error field structures and associated NTV and resonant torques. Upcoming machine upgrades will allow measurements and control of scrape-off-layer currents, and control of kink modes using optical diagnostics. Supported by U.S. DOE Grant DE-FG02-86ER53222.
Phonons in MS2 (M=Mo, W) Nanotubes
NASA Astrophysics Data System (ADS)
Dobardžić, E.; Damnjanović, M.; Dakić, B.; Milošević, I.
2007-04-01
Using full symmetry implemented valence-force-field model, we have calculated phonon energies of all the single-wall MS2 nanotubes with diameter range 1-20 nm. In particular, we extracted infrared and Raman active modes in order to clarify possible application of these methods in the experimental sample characterization. A prescription for experimental distinction of zig-zag, armchair and chiral tubes, based on their different symmetry and resulting selection rules, is proposed. Furthermore, we noticed that displacements significantly depend on the chiral angle only for two MoS2 modes, namely twisting in-phase (rigid layer) and breathing out-of-phase, and none of WS2 modes. Also, we found that heat capacity of the nanotubes and corresponding layer are similar.
Phonon dispersion in red mercuric iodide
Sim, H.; Chang, Y. ); James, R.B. )
1994-02-15
We present theoretical studies of phonon modes of undoped HgI[sub 2] in its red tetragonal form. A rigid-ion model including the Coulomb interaction is used which gives the best fit to the neutron scattering, infrared reflectivity, and Raman scattering data. The calculated sound velocities are also in accord with experiment.
``Forbidden'' phonon in the iron chalcogenide series
NASA Astrophysics Data System (ADS)
Fobes, David M.; Zaliznyak, Igor A.; Xu, Zhijun; Gu, Genda; Tranquada, John M.
2015-03-01
Recently, we uncovered evidence for the formation of a bond-order wave (BOW) leading to ferro-orbital order at low temperature, acting to stabilize the bicollinear AFM order, in the iron-rich parent compound, Fe1+yTe. Investigating the inelastic spectra centered near (100) in Fe1+yTe, a signature peak for the BOW formation in the monoclinic phase, we observed an acoustic phonon dispersion in both tetragonal and monoclinic phases. While a structural Bragg peak accompanies the mode in the monoclinic phase, in the tetragonal phase Bragg scattering at this Q is forbidden by symmetry, and we observed no elastic peak. This phonon mode was also observed in superconducting FeTe0.6Se0.4, where structural and magnetic transitions are suppressed. LDA frozen phonon calculations suggested that this mode could result from a spin imbalance between neighboring Fe atoms, but polarized neutron measurements revealed no additional magnetic scattering. We propose that this ``forbidden'' phonon mode may originate from dynamically broken symmetry, perhaps related to the strong dynamic spin correlations in these materials. Work at BNL was supported by BES, US DOE, under Contract No. DE-AC02-98CH10886. Research at ORNL's HFIR and SNS sponsored by Scientific User Facilities Division, BES, US DOE. We acknowledge the support of NIST, in providing neutron research facilities.
Active/passive mode-locked laser oscillator
Fountain, William D.; Johnson, Bertram C.
1977-01-01
A Q-switched/mode-locked Nd:YAG laser oscillator employing simultaneous active (electro-optic) and passive (saturable absorber) loss modulation within the optical cavity is described. This "dual modulation" oscillator can produce transform-limited pulses of duration ranging from about 30 psec to about 5 nsec with greatly improved stability compared to other mode-locked systems. The pulses produced by this system lack intrapulse frequency or amplitude modulation, and hence are idealy suited for amplification to high energies and for other applications where well-defined pulses are required. Also, the pulses of this system have excellent interpulse characteristics, wherein the optical noise between the individual pulses of the pulse train has a power level well below the power of the peak pulse of the train.
Study on actuating mode shapes of electro-active paper
NASA Astrophysics Data System (ADS)
Sundaresan, Mannur; Park, Yongkun; Craft, William J.; Sankar, Jag; Kim, Jaehwan
2006-03-01
This paper focuses on actuating mode shapes of cellulose-based electro-active paper (EAPap) in order to investigate its suitability as actuators. Firstly, actuating mechanism of EAPap is addressed based on intrinsic characteristics of cellulose structures under electric fields. EAPap actuator is then fabricated by embedding gold as electrodes into both sides of cellophane sheets. Actuating mode shapes under electric fields are phenomenological measured via laser scanning vibrometer at different exciting frequencies as well as relative humidity. Various actuating performances with large deformations are obtained by applying low electric fields, which can produce a suitable deformation capability with light weight, low power consumption and simple fabrication. Experimental results provide that EAPap can be used as a potential actuating candidate for shape control of smart structures, along with bio-inspired actuator materials.
Phonon dynamics of graphene on metals.
Al Taleb, Amjad; Farías, Daniel
2016-03-16
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. PMID:26886508
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.
Evidence of superconductivity-induced phonon spectra renormalization in alkali-doped iron selenides
Opačić, M.; Lazarević, N.; Šćepanović, M.; Ryu, Hyejin; Lei, Hechang; Petrovic, C.; Popović, Z. V.
2015-11-16
Polarized Raman scattering spectra of superconducting KxFe2-ySe2 and nonsuperconducting K0.8Fe1.8Co0.2Se2 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 K0.8Fe1.8Co0.2Se2 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-induced anharmonic effects. It is shown that change of Raman mode energymore » with temperature is dominantly driven by thermal expansion of the crystal lattice. Abrupt change of the A1g mode energy near TC was observed in KxFe2-ySe2 , whereas it is absent in 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 critical temperature.« less
Evidence of superconductivity-induced phonon spectra renormalization in alkali-doped iron selenides.
Opačić, M; Lazarević, N; Šćepanović, M; Ryu, Hyejin; Lei, Hechang; Petrovic, C; Popović, Z V
2015-12-01
Polarized Raman scattering spectra of superconducting K(x)Fe(2-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 near T(C) was observed in K(x)Fe(2-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. PMID:26569081
The influence of pyridine ligand onto the structure and phonon spectra of CdSe nanocrystals
NASA Astrophysics Data System (ADS)
Dzhagan, V. M.; Lokteva, I.; Himcinschi, C.; Kolny-Olesiak, J.; Valakh, M. Ya.; Schulze, S.; Zahn, D. R. T.
2011-04-01
The influence of ligand exchange for pyridine onto the structure and phonon spectra of oleic acid-stabilized CdSe nanocrystals (NCs) is studied by resonant Raman and optical absorption spectroscopy, nuclear magnetic resonance and transmission electron microscopy. The removal of oleic acid ligand by pyridine treatment results in change of intensity ratio of the longitudinal optical (LO) phonon peak to its overtones. The latter effect is attributed to a changed electron-phonon coupling in NCs upon introduction of the hole-capturing ligand (pyridine). The upward shift and broadening of the LO phonon peak are also observed and supposed to be the result of interplay between partial oxidation of the NC and strain induced by surface reconstruction. The relative contribution of these two effects is found to be dependent on the NC size. The activation of two additional Raman features, in the low-frequency range and above the LO band, for pyridine-treated NCs is supposed to be related with induced disorder or reconstruction on the NC surface. No noticeable effect of the surface treatment and concomitant NC aggregation onto the surface optical phonon mode was observed.
Phonon localization drives polar nanoregions in a relaxor ferroelectric.
Manley, M E; Lynn, J W; Abernathy, D L; Specht, E D; Delaire, O; Bishop, A R; Sahul, R; Budai, J D
2014-01-01
Relaxor ferroelectrics exemplify a class of functional materials where interplay between disorder and phase instability results in inhomogeneous nanoregions. Although known for about 30 years, there is no definitive explanation for polar nanoregions (PNRs). Here we show that ferroelectric phonon localization drives PNRs in relaxor ferroelectric PMN-30%PT using neutron scattering. At the frequency of a preexisting resonance mode, nanoregions of standing ferroelectric phonons develop with a coherence length equal to one wavelength and the PNR size. Anderson localization of ferroelectric phonons by resonance modes explains our observations and, with nonlinear slowing, the PNRs and relaxor properties. Phonon localization at additional resonances near the zone edges explains competing antiferroelectric distortions known to occur at the zone edges. Our results indicate the size and shape of PNRs that are not dictated by complex structural details, as commonly assumed, but by phonon resonance wave vectors. This discovery could guide the design of next generation relaxor ferroelectrics. PMID:24718289
Optical phonon lasing and its detection in transport through semiconduc- tor double quantum dots
NASA Astrophysics Data System (ADS)
Okuyama, Rin; Eto, Mikio; Brandes, Tobias
2014-03-01
We theoretically propose optical phonon lasing for a double quantum dot (DQD) fabricated in a semiconductor substrate. No additional cavity or resonator is required. We show that the DQD couples to only two phonon modes that act as a natural cavity. The pumping to the upper level is realized by an electric current through the DQD under a finite bias. Using the rate equation in the Born-Markov-Secular approximation, we analyze the enhanced phonon emission when the level spacing in the DQD is tuned to the phonon energy. We find the phonon lasing when the pumping rate is much larger than the phonon decay rate, whereas anti-bunching of phonon emission is observed when the pumping rate is smaller.[1] Our theory can be also applicable to DQDs embedded in nanomechanical resonators to control the vibrating modes. We discuss detection of amplified modes using the electric current and its noise through the DQD, and another DQD fabricated nearby.
Mechanisms for multiple activity modes of VTA dopamine neurons
Oster, Andrew; Faure, Philippe; Gutkin, Boris S.
2015-01-01
Midbrain ventral segmental area (VTA) dopaminergic neurons send numerous projections to cortical and sub-cortical areas, and diffusely release dopamine (DA) to their targets. DA neurons display a range of activity modes that vary in frequency and degree of burst firing. Importantly, DA neuronal bursting is associated with a significantly greater degree of DA release than an equivalent tonic activity pattern. Here, we introduce a single compartmental, conductance-based computational model for DA cell activity that captures the behavior of DA neuronal dynamics and examine the multiple factors that underlie DA firing modes: the strength of the SK conductance, the amount of drive, and GABA inhibition. Our results suggest that neurons with low SK conductance fire in a fast firing mode, are correlated with burst firing, and require higher levels of applied current before undergoing depolarization block. We go on to consider the role of GABAergic inhibition on an ensemble of dynamical classes of DA neurons and find that strong GABA inhibition suppresses burst firing. Our studies suggest differences in the distribution of the SK conductance and GABA inhibition levels may indicate subclasses of DA neurons within the VTA. We further identify, that by considering alternate potassium dynamics, the dynamics display burst patterns that terminate via depolarization block, akin to those observed in vivo in VTA DA neurons and in substantia nigra pars compacta (SNc) DA cell preparations under apamin application. In addition, we consider the generation of transient burst firing events that are NMDA-initiated or elicited by a sudden decrease of GABA inhibition, that is, disinhibition. PMID:26283955
Active control of the resistive wall mode with power saturation
Li Li; Liu Yue; Liu Yueqiang
2012-01-15
An analytic model of non-linear feedback stabilization of the resistive wall mode is presented. The non-linearity comes from either the current or the voltage saturation of the control coil power supply. For the so-called flux-to-current control, the current saturation of active coils always results in the loss of control. On the contrary, the flux-to-voltage control scheme tolerates certain degree of the voltage saturation. The minimal voltage limit is calculated, below which the control will be lost.
Active control for stabilization of neoclassical tearing modes
Humphreys, D.A.; Ferron, J.R.; La Haye, R.J.; Luce, T.C.; Petty, C.C.; Prater, R.; Welander, A.S.
2006-05-15
This work describes active control algorithms used by DIII-D [J. L. Luxon, Nucl. Fusion 42, 614 (2002)] to stabilize and maintain suppression of 3/2 or 2/1 neoclassical tearing modes (NTMs) by application of electron cyclotron current drive (ECCD) at the rational q surface. The DIII-D NTM control system can determine the correct q-surface/ECCD alignment and stabilize existing modes within 100-500 ms of activation, or prevent mode growth with preemptive application of ECCD, in both cases enabling stable operation at normalized beta values above 3.5. Because NTMs can limit performance or cause plasma-terminating disruptions in tokamaks, their stabilization is essential to the high performance operation of ITER [R. Aymar et al., ITER Joint Central Team, ITER Home Teams, Nucl. Fusion 41, 1301 (2001)]. The DIII-D NTM control system has demonstrated many elements of an eventual ITER solution, including general algorithms for robust detection of q-surface/ECCD alignment and for real-time maintenance of alignment following the disappearance of the mode. This latter capability, unique to DIII-D, is based on real-time reconstruction of q-surface geometry by a Grad-Shafranov solver using external magnetics and internal motional Stark effect measurements. Alignment is achieved by varying either the plasma major radius (and the rational q surface) or the toroidal field (and the deposition location). The requirement to achieve and maintain q-surface/ECCD alignment with accuracy on the order of 1 cm is routinely met by the DIII-D Plasma Control System and these algorithms. We discuss the integrated plasma control design process used for developing these and other general control algorithms, which includes physics-based modeling and testing of the algorithm implementation against simulations of actuator and plasma responses. This systematic design/test method and modeling environment enabled successful mode suppression by the NTM control system upon first-time use in an