Liu Wei; Niu Hanben
2011-02-15
We provide an approach to significantly break the diffraction limit in coherent anti-Stokes Raman scattering (CARS) microscopy via an additional probe-beam-induced photon depletion (APIPD). The additional probe beam, whose profile is doughnut shaped and whose wavelength is different from the Gaussian probe beam, depletes the phonons to yield an unwanted anti-Stokes signal within a certain bandwidth at the rim of the diffraction-limited spot. When the Gaussian probe beam that follows immediately arrives, no anti-Stokes signal is generated in this region, resembling stimulated emission depletion (STED) microscopy, and the spot-generating useful anti-Stokes signals by this beam are substantially suppressed to a much smaller dimension. Scanning the spot renders three-dimensional, label-free, and chemically selective CARS images with subdiffraction resolution. Also, resolution-enhanced images of the molecule, specified by its broadband even-total CARS spectral signals not only by one anti-Stokes signal for its special chemical bond, can be obtained by employing a supercontinuum source.
Weak phonon scattering effect of twin boundaries on thermal transmission
Dong, Huicong; Xiao, Jianwei; Melnik, Roderick; Wen, Bin
2016-01-01
To study the effect of twin boundaries on thermal transmission, thermal conductivities of twinned diamond with different twin thicknesses have been studied by NEMD simulation. Results indicate that twin boundaries show a weak phonon scattering effect on thermal transmission, which is only caused by the additional twin boundaries’ thermal resistance. Moreover, according to phonon kinetic theory, this weak phonon scattering effect of twin boundaries is mainly caused by a slightly reduced average group velocity. PMID:26822675
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
Investigating the existence of coherent phonon scattering in silicon using phononic crystals
NASA Astrophysics Data System (ADS)
Goettler, Drew
In silicon the majority of heat energy is transported by phonons, which are discrete lattice vibrations. Phonon scattering due to the presence of voids in silicon can further alter the material's thermal conductivity. There is a question about the possibility of some of this scattering being coherent rather than purely incoherent. Coherent phonon scattering is defined as constructive interference of phonons scattered from the inclusions in the phononic crystal. The intent of this work is to investigate the existence of coherent scattering in Si via phononic crystals. A phononic crystal is a periodic array of inclusions inside a host material. The inclusions could be a second material or a void. In this work five different supercell phononic crystals comprised of holes in silicon will be used to investigate the existence of coherent phonon scattering. Each of the supercells had nearly identical critical lengths in order to keep the amount of incoherent scattering equal among all of the PnCs. Porosity differences among the supercells were also minimized. All of the PnCs were fabricated with a focused ion beam (FIB). During fabrication a protective layer of Ti was used to protect the Si from unintentional Ga doping from the FIB. The Ti layer also helped generate voids with more vertical sidewalls. A set of experiments was performed to measure the thermal conductivity of each PnC. Thermal conductivity measurements were carried out on a silicon nitride suspended island platform with platinum resistance temperature detectors and coated with aluminum nitride. A silicon slab was concurrently measured with each PnC, and relative thermal conductivity values were determined. The addition of the PnC decreased Si's thermal conductivity to less than 22% of its original value. An analysis of the results shows there is a reduction in thermal conductivity beyond the effects of porosity and incoherent scattering. This enhanced reduction in thermal conductivity is due to coherent
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.
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.
Electron-phonon interaction and scattering in Si and Ge: Implications for phonon engineering
Tandon, Nandan; Albrecht, J. D.; Ram-Mohan, L. R.
2015-07-28
We report ab-initio results for electron-phonon (e-ph) coupling and display the existence of a large variation in the coupling parameter as a function of electron and phonon dispersion. This variation is observed for all phonon modes in Si and Ge, and we show this for representative cases where the initial electron states are at the band gap edges. Using these e-ph matrix elements, which include all possible phonon modes and electron bands within a relevant energy range, we evaluate the imaginary part of the electron self-energy in order to obtain the associated scattering rates. The temperature dependence is seen through calculations of the scattering rates at 0 K and 300 K. The results provide a basis for understanding the impacts of phonon scattering vs. orientation and geometry in the design of devices, and in analysis of transport phenomena. This provides an additional tool for engineering the transfer of energy from carriers to the lattice.
"Phonon" scattering beyond perturbation theory
NASA Astrophysics Data System (ADS)
Qiu, WuJie; Ke, XueZhi; Xi, LiLi; Wu, LiHua; Yang, Jiong; Zhang, WenQing
2016-02-01
Searching and designing materials with intrinsically low lattice thermal conductivity (LTC) have attracted extensive consideration in thermoelectrics and thermal management community. The concept of part-crystalline part-liquid state, or even part-crystalline part-amorphous state, has recently been proposed to describe the exotic structure of materials with chemical- bond hierarchy, in which a set of atoms is weakly bonded to the rest species while the other sublattices retain relatively strong rigidity. The whole system inherently manifests the coexistence of rigid crystalline sublattices and fluctuating noncrystalline substructures. Representative materials in the unusual state can be classified into two categories, i.e., caged and non-caged ones. LTCs in both systems deviate from the traditional T -1 relationship ( T, the absolute temperature), which can hardly be described by small-parameter-based perturbation approaches. Beyond the classical perturbation theory, an extra rattling-like scattering should be considered to interpret the liquid-like and sublattice-amorphization-induced heat transport. Such a kind of compounds could be promising high-performance thermoelectric materials, due to the extremely low LTCs. Other physical properties for these part-crystalline substances should also exhibit certain novelty and deserve further exploration.
Influence of the optical-acoustic phonon hybridization on phonon scattering and thermal conductivity
NASA Astrophysics Data System (ADS)
Li, Wu; Carrete, Jesús; Madsen, Georg K. H.; Mingo, Natalio
2016-05-01
We predict a marked effect of optical-acoustic phonon hybridization on phonon scattering and lattice thermal conductivity (κ ), and illustrate it in the case of Fe2Ge3 . This material presents very low-lying optical phonons with an energy of 1.8 meV at the Brillouin zone center, which show avoided crossings with longitudinal acoustic (LA) phonons, due to optical-acoustic phonon polarization hybridization. Because the optical phonons have nonvanishing scattering rates, even a small amount of hybridization with the optical phonon can increase the scattering rates of LA phonons by much more than one order of magnitude, causing the contribution of these phonons to κ to vanish. At low temperatures, the contributions of all LA phonons are eliminated, and thus the avoided crossing leads to a reduction of thermal conductivity by more than half. The scattering rates are very sensitive to the optical-acoustic phonon hybridization strength, characterized by the gap at the avoided crossing point and varied with the wave-vector direction. Our work presents a different reduction mechanism of κ in systems with optical-acoustic phonon hybridization, which can benefit the search for new thermoelectric materials.
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.
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
Observation of induced longitudinal and shear acoustic phonons by Brillouin scattering.
Yoshida, Taisuke; Matsukawa, Mami; Yanagitani, Takahiko
2011-06-01
To improve the accuracy of velocity measurements in the Brillouin scattering technique using weak thermal phonons, we have used induced coherent phonons, which intensify the scattering. To induce phonons in the gigahertz range, we used a c-axis tilted ZnO film transducer that was developed in our laboratory. This allowed us to induce longitudinal and shear acoustic phonons effectively at hypersonic frequencies. As a result, we obtained scattered light in the silica glass sample that was much more intense than that obtained from the thermal phonons. Because the Brillouin scattering from induced phonons was measured, the shift frequency was that of the electric signal applied to the ZnO transducer. Strong peaks lead to a reduction of the measurement time. This is useful for two-dimensional mapping of thin film elasticity using Brillouin scattering. Additionally, Brillouin scattering enables the simultaneous measurement of longitudinal and shear phonon velocities in the sample plane. This opens up a potential new technique for non-destructive elasticity measurements of various materials. PMID:21693407
Phonon effects in the two-magnon Raman scattering in spin-Peierls systems
Zang, J.; Roeder, H.; Gammel, J.T.; Saxena, A.; Bishop, A.R.
1996-10-01
Recently discovered spin-Peierls (SP) transition in the compound CuGeO{sub 3} revived the interest in theoretical studies of low dimensional spin systems and lattice spin coupling effects. Special attention has been paid to the frustration effects and their consequence on the dynamical properties. In fact, it was pointed out earlier by some of the preset authors that there are frustrated SP fluctuations in the MX materials near the crossover region. In the study of the excitations in the CuGeO{sub 3} compound, several groups have conducted two-magnon Raman scattering experiments. In addition, several theoretical studies were carried out which, however, neglected the phonon effects totally. In the present study, the authors show that the phonon effects are important in the two-magnon Raman scattering. The phonon effects enter the Raman scattering process in two ways. First, there is a strong spin phonon coupling; naturally, the photon-magnon coupling has a phonon term, which has strength {partial_derivative}J/{partial_derivative}u, where u is lattice distortion. Second, without frustrated spin-spin coupling J{sub 2}, there is no two-magnon Raman scattering in the high temperature uniform phase, as the scattering term commutes with the Hamiltonian. However, since the lattice fluctuations (quantum or thermal) will introduce disorder in the spin-spin coupling, there is phonon induced two-magnon Raman scattering even without J{sub 2}.
NASA Astrophysics Data System (ADS)
Wang, Yan; Lu, Zexi; Ruan, Xiulin
2016-06-01
The effect of phonon-electron (p-e) scattering on lattice thermal conductivity is investigated for Cu, Ag, Au, Al, Pt, and Ni. We evaluate both phonon-phonon (p-p) and p-e scattering rates from first principles and calculate the lattice thermal conductivity (κL). It is found that p-e scattering plays an important role in determining the κL of Pt and Ni at room temperature, while it has negligible effect on the κL of Cu, Ag, Au, and Al. Specifically, the room temperature κLs of Cu, Ag, Au, and Al predicted from density-functional theory calculations with the local density approximation are 16.9, 5.2, 2.6, and 5.8 W/m K, respectively, when only p-p scattering is considered, while it is almost unchanged when p-e scattering is also taken into account. However, the κL of Pt and Ni is reduced from 7.1 and 33.2 W/m K to 5.8 and 23.2 W/m K by p-e scattering. Even though Al has quite high electron-phonon coupling constant, a quantity that characterizes the rate of heat transfer from hot electrons to cold phonons in the two-temperature model, p-e scattering is not effective in reducing κL owing to the relatively low p-e scattering rates in Al. The difference in the strength of p-e scattering in different metals can be qualitatively understood by checking the amount of electron density of states that is overlapped with the Fermi window. Moreover, κL is found to be comparable to the electronic thermal conductivity in Ni.
Controlling electron-phonon scattering with metamaterial plasmonic structures
NASA Astrophysics Data System (ADS)
Kempa, Krzysztof; Wu, Xueyuan; Kong, Jiantao; Broido, David
Electron-plasmon scattering can be faster than electron-phonon scattering. While in metals plasmons occur in the UV range, phonons dominate behavior at much lower frequencies (far IR range), and this typically decouples these phenomena. In metamaterial plasmonic structures, however, plasma effects can be tuned down to the far IR range, allowing for their interference with phonons. It was recently shown, that such interference can protect hot electron energy induced in a solar cell, from dissipation into heat. In this work we explore the possibility of using such an effect to control the electron-phonon interaction and transport in semiconductors. We demonstrate, that this could lead to a novel path to enhancing the electrical and thermal conductivities and the thermoelectric figure of merit.
Inelastic x-ray scattering measurements of phonon dynamics in URu2Si2
Gardner, D. R.; Bonnoit, C. J.; Chisnell, R.; Said, A. H.; Leu, B. M.; Williams, Travis J.; Luke, G. M.; Lee, Y. S.
2016-02-11
In this paper, we study high-resolution inelastic x-ray scattering measurements of the acoustic phonons of URu2Si2. At all temperatures, the longitudinal acoustic phonon linewidths are anomalously broad at small wave vectors revealing a previously unknown anharmonicity. The phonon modes do not change significantly upon cooling into the hidden order phase. In addition, our data suggest that the increase in thermal conductivity in the hidden order phase cannot be driven by a change in phonon dispersions or lifetimes. Hence, the phonon contribution to the thermal conductivity is likely much less significant compared to that of the magnetic excitations in the lowmore » temperature phase.« less
Inelastic x-ray scattering from phonons under multibeam conditions
NASA Astrophysics Data System (ADS)
Bosak, Alexey; Krisch, Michael
2007-03-01
We report on an experimental observation of a previously neglected multibeam contribution to the inelastic x-ray scattering cross section. Its manifestation is a substantial modification of the apparent phonon selection rules when two (or more) reciprocal lattice points are simultaneously intercepted by the Ewald sphere. The observed multibeam contributions can be treated semi-quantitatively in the frame of Renninger’s “simplest approach.” A few corollaries, relevant for experimental work on inelastic scattering from phonons, are presented.
Wave packet simulations of phonon boundary scattering at graphene edges
NASA Astrophysics Data System (ADS)
Wei, Zhiyong; Chen, Yunfei; Dames, Chris
2012-07-01
Wave packet dynamics is used to investigate the scattering of longitudinal (LA), transverse (TA), and bending-mode (ZA) phonons at the zigzag and armchair edges of suspended graphene. The interatomic forces are calculated using a linearized Tersoff potential. The strength of a boundary scattering event at impeding energy flow is described by a forward scattering coefficient, similar in spirit to a specularity parameter. For armchair boundaries, this scattering coefficient is found to depend strongly on the magnitude, direction, and polarization of the incident wavevector, while for zigzag boundaries, the forward scattering coefficient is found to always be unity regardless of wavevector and polarization. Wave packet splitting is observed for ZA phonons incident on armchair boundaries, while both splitting and mode conversion are observed for LA and TA phonons incident on both zigzag and armchair boundaries. These simulation results show that armchair boundaries impede the forward propagation of acoustic phonon energy much more strongly than zigzag boundaries do, suggesting that graphene nanoribbons will have substantially lower thermal conductivity in armchair rather than zigzag orientation.
Phonon scattering in graphene over substrate steps
Sevinçli, H.; Brandbyge, M.
2014-10-13
We calculate the effect on phonon transport of substrate-induced bends in graphene. We consider bending induced by an abrupt kink in the substrate, and provide results for different step-heights and substrate interaction strengths. We find that individual substrate steps reduce thermal conductance in the range between 5% and 47%. We also consider the transmission across linear kinks formed by adsorption of atomic hydrogen at the bends and find that individual kinks suppress thermal conduction substantially, especially at high temperatures. Our analysis show that substrate irregularities can be detrimental for thermal conduction even for small step heights.
Surface phonon-polaritons: To scatter or not to scatter
NASA Astrophysics Data System (ADS)
Staude, Isabelle; Rockstuhl, Carsten
2016-08-01
A rewritable platform for subwavelength optical components is demonstrated by combining surface phonon-polaritons, sustained in a polar dielectric layer, with the switching functionality provided by a phase-change material.
Phonon dynamics and inelastic neutron scattering of sodium niobate
NASA Astrophysics Data System (ADS)
Mishra, S. K.; Gupta, M. K.; Mittal, R.; Zbiri, M.; Rols, S.; Schober, H.; Chaplot, S. L.
2014-05-01
Sodium niobate (NaNbO3) exhibits an extremely complex sequence of structural phase transitions in the perovskite family and therefore provides an excellent model system for understanding the mechanism of structural phase transitions. We report temperature dependence of inelastic neutron scattering measurements of phonon densities of states in sodium niobate. The measurements are carried out in various crystallographic phases of this material at various temperatures from 300 to 1048 K. The phonon spectra exhibit peaks centered on 19, 37, 51, 70, and 105 meV. Interestingly, the peak near 70 meV shifts significantly towards lower energy with increasing temperature, while the other peaks do not exhibit any appreciable shift. The phonon spectra at 783 K show prominent change and become more diffusive as compared to those at 303 K. In order to better analyze these features, we have performed first-principles lattice dynamics calculations based on the density functional theory. The computed phonon density of states is found to be in good agreement with the experimental data. Based on our calculation we are able to assign the characteristic Raman modes in the antiferroelectric phase, which are due to the folding of the T (ω = 95 cm-1) and Δ (ω = 129 cm-1) points of the cubic Brillouin zone, to the A1g symmetry.
Coherent phonon-grain boundary scattering in silicon inverse opals.
Ma, Jun; Parajuli, Bibek R; Ghossoub, Marc G; Mihi, Agustin; Sadhu, Jyothi; Braun, Paul V; Sinha, Sanjiv
2013-02-13
We report measurements and modeling of thermal conductivity in periodic three-dimensional dielectric nanostructures, silicon inverse opals. Such structures represent a three-dimensional "phononic crystal" but affect heat flow instead of acoustics. Employing the Stober method, we fabricate high quality silica opal templates that on filling with amorphous silicon, etching and recrystallizing produce silicon inverse opals. The periodicities and shell thicknesses are in the range 420-900 and 18-38 nm, respectively. The thermal conductivity of inverse opal films are relatively low, ~0.6-1.4 W/mK at 300 K and arise due to macroscopic bending of heat flow lines in the structure. The corresponding material thermal conductivity is in the range 5-12 W/mK and has an anomalous ~T(1.8) dependence at low temperatures, distinct from the typical ~T(3) behavior of bulk polycrystalline silicon. Using phonon scattering theory, we show such dependence arising from coherent phonon reflections in the intergrain region. This is consistent with an unconfirmed theory proposed in 1955. The low thermal conductivity is significant for applications in photonics where they imply significant temperature rise at relatively low absorption and in thermoelectrics, where they suggest the possibility of enhancement in the figure of merit for polysilicon with optimal doping. PMID:23286238
Electron-phonon interaction and Raman scattering in nanocrystals
NASA Astrophysics Data System (ADS)
Klimin, S. N.; Pokatilov, E. P.; Fomin, V. M.; Devreese, J. T.; Gladilin, V. N.; Balaban, S. N.
1997-03-01
The vibrational eigenmodes of a nanocrystal are derived by diagonalization of the equations of motion for the ionic displacement taking into account a non-parabolic dispersion with electrostatic and mechanical boundary conditions. A finite width of the Brillouin zone leads automatically to a finite basis of vibrational modes. The developed method can be applicable to nanostructures of an arbitrary geometry. For a spherical nanocrystal, a dispersion equation contains the effective multimode dielectric function. The resulting eigenmodes are mixed bulk-like and interface waves, especially in the short-wavelength region. Using the obtained Hamiltonian, the one-phonon and two-phonon resonant Raman scattering spectra are calculated for a spherical CdSe nanocrystal in the borosilicate glass. The valence band mixing dramatically enhances relative intensities of the two-phonon peaks and makes the adiabatic approximation inapplicable. Hence, the Huang-Rhys parameter is not an adequate characteristic of the optical spectra. Using a direct expansion of the evolution operator, a good agreement has been achieved between the calculated and the experimentally observed [1] Raman spectra. [1] M. C. Klein, F. Hache, D. Ricard, and C. Flytzanis, Phys. Rev. B 42, 11123 (1990).
Acoustic scattering from phononic crystals with complex geometry.
Kulpe, Jason A; Sabra, Karim G; Leamy, Michael J
2016-05-01
This work introduces a formalism for computing external acoustic scattering from phononic crystals (PCs) with arbitrary exterior shape using a Bloch wave expansion technique coupled with the Helmholtz-Kirchhoff integral (HKI). Similar to a Kirchhoff approximation, a geometrically complex PC's surface is broken into a set of facets in which the scattering from each facet is calculated as if it was a semi-infinite plane interface in the short wavelength limit. When excited by incident radiation, these facets introduce wave modes into the interior of the PC. Incorporation of these modes in the HKI, summed over all facets, then determines the externally scattered acoustic field. In particular, for frequencies in a complete bandgap (the usual operating frequency regime of many PC-based devices and the requisite operating regime of the presented theory), no need exists to solve for internal reflections from oppositely facing edges and, thus, the total scattered field can be computed without the need to consider internal multiple scattering. Several numerical examples are provided to verify the presented approach. Both harmonic and transient results are considered for spherical and bean-shaped PCs, each containing over 100 000 inclusions. This facet formalism is validated by comparison to an existing self-consistent scattering technique. PMID:27250192
A study of phonon anisotropic scattering effect on silicon thermal conductivity at nanoscale
Bong, Victor N-S; Wong, Basil T.
2015-08-28
Previous studies have shown that anisotropy in phonon transport exist because of the difference in phonon dispersion relation due to different lattice direction, as observed by a difference in in-plane and cross-plane thermal conductivity. The directional preference (such as forward or backward scattering) in phonon propagation however, remains a relatively unexplored frontier. Our current work adopts a simple scattering probability in radiative transfer, which is called Henyey and Greenstein probability density function, and incorporates it into the phonon Monte Carlo simulation to investigate the effect of directional scattering in phonon transport. In this work, the effect of applying the anisotropy scattering is discussed, as well as its impact on the simulated thermal conductivity of silicon thin films. While the forward and backward scattering will increase and decrease thermal conductivity respectively, the extent of the effect is non-linear such that forward scattering has a more obvious effect than backward scattering.
Hierarchical thermoelectrics: crystal grain boundaries as scalable phonon scatterers
NASA Astrophysics Data System (ADS)
Selli, Daniele; Boulfelfel, Salah Eddine; Schapotschnikow, Philipp; Donadio, Davide; Leoni, Stefano
2016-02-01
Thermoelectric materials are strategically valuable for sustainable development, as they allow for the generation of electrical energy from wasted heat. In recent years several strategies have demonstrated some efficiency in improving thermoelectric properties. Dopants affect carrier concentration, while thermal conductivity can be influenced by alloying and nanostructuring. Features at the nanoscale positively contribute to scattering phonons, however those with long mean free paths remain difficult to alter. Here we use the concept of hierarchical nano-grains to demonstrate thermal conductivity reduction in rocksalt lead chalcogenides. We demonstrate that grains can be obtained by taking advantage of the reconstructions along the phase transition path that connects the rocksalt structure to its high-pressure form. Since grain features naturally change as a function of size, they impact thermal conductivity over different length scales. To understand this effect we use a combination of advanced molecular dynamics techniques to engineer grains and to evaluate thermal conductivity in PbSe. By affecting grain morphologies only, i.e. at constant chemistry, two distinct effects emerge: the lattice thermal conductivity is significantly lowered with respect to the perfect crystal, and its temperature dependence is markedly suppressed. This is due to an increased scattering of low-frequency phonons by grain boundaries over different size scales. Along this line we propose a viable process to produce hierarchical thermoelectric materials by applying pressure via a mechanical load or a shockwave as a novel paradigm for material design.
Hierarchical thermoelectrics: crystal grain boundaries as scalable phonon scatterers.
Selli, Daniele; Boulfelfel, Salah Eddine; Schapotschnikow, Philipp; Donadio, Davide; Leoni, Stefano
2016-02-14
Thermoelectric materials are strategically valuable for sustainable development, as they allow for the generation of electrical energy from wasted heat. In recent years several strategies have demonstrated some efficiency in improving thermoelectric properties. Dopants affect carrier concentration, while thermal conductivity can be influenced by alloying and nanostructuring. Features at the nanoscale positively contribute to scattering phonons, however those with long mean free paths remain difficult to alter. Here we use the concept of hierarchical nano-grains to demonstrate thermal conductivity reduction in rocksalt lead chalcogenides. We demonstrate that grains can be obtained by taking advantage of the reconstructions along the phase transition path that connects the rocksalt structure to its high-pressure form. Since grain features naturally change as a function of size, they impact thermal conductivity over different length scales. To understand this effect we use a combination of advanced molecular dynamics techniques to engineer grains and to evaluate thermal conductivity in PbSe. By affecting grain morphologies only, i.e. at constant chemistry, two distinct effects emerge: the lattice thermal conductivity is significantly lowered with respect to the perfect crystal, and its temperature dependence is markedly suppressed. This is due to an increased scattering of low-frequency phonons by grain boundaries over different size scales. Along this line we propose a viable process to produce hierarchical thermoelectric materials by applying pressure via a mechanical load or a shockwave as a novel paradigm for material design. PMID:26815914
NASA Astrophysics Data System (ADS)
Figarova, S. R.; Hasiyeva, G. N.; Figarov, V. R.
2016-04-01
The effect of phonon scattering on electrical conductivity (EC) of 2D electron gas in quantum well (QW) systems with a complicated potential profile is described. Dependence of QW electrical conductivity on QW parameters (such as QW width, Fermi level positions etc.) when phonon scattering is employed has been calculated. NDC in EC when it varies with width of the QW has been found.
Impact of Phonon Surface Scattering on Thermal Energy Distribution of Si and SiGe Nanowires.
Malhotra, Abhinav; Maldovan, Martin
2016-01-01
Thermal transport in nanostructures has attracted considerable attention in the last decade but the precise effects of surfaces on heat conduction have remained unclear due to a limited accuracy in the treatment of phonon surface scattering phenomena. Here, we investigate the impact of phonon-surface scattering on the distribution of thermal energy across phonon wavelengths and mean free paths in Si and SiGe nanowires. We present a rigorous and accurate description of phonon scattering at surfaces and predict and analyse nanowire heat spectra for different diameters and surface conditions. We show that the decrease in the diameter and increased roughness and correlation lengths makes the heat phonon spectra significantly shift towards short wavelengths and mean free paths. We also investigate the emergence of phonon confinement effects for small diameter nanowires and different surface scattering properties. Computed results for bulk materials show excellent agreement with recent experimentally-based approaches that reconstruct the mean-free-path heat spectra. Our phonon surface scattering model allows for an accurate theoretical extraction of heat spectra in nanowires and contributes to elucidate the development of critical phonon transport modes such as phonon confinement and coherent interference effects. PMID:27174699
Impact of Phonon Surface Scattering on Thermal Energy Distribution of Si and SiGe Nanowires
NASA Astrophysics Data System (ADS)
Malhotra, Abhinav; Maldovan, Martin
2016-05-01
Thermal transport in nanostructures has attracted considerable attention in the last decade but the precise effects of surfaces on heat conduction have remained unclear due to a limited accuracy in the treatment of phonon surface scattering phenomena. Here, we investigate the impact of phonon-surface scattering on the distribution of thermal energy across phonon wavelengths and mean free paths in Si and SiGe nanowires. We present a rigorous and accurate description of phonon scattering at surfaces and predict and analyse nanowire heat spectra for different diameters and surface conditions. We show that the decrease in the diameter and increased roughness and correlation lengths makes the heat phonon spectra significantly shift towards short wavelengths and mean free paths. We also investigate the emergence of phonon confinement effects for small diameter nanowires and different surface scattering properties. Computed results for bulk materials show excellent agreement with recent experimentally-based approaches that reconstruct the mean-free-path heat spectra. Our phonon surface scattering model allows for an accurate theoretical extraction of heat spectra in nanowires and contributes to elucidate the development of critical phonon transport modes such as phonon confinement and coherent interference effects.
Impact of Phonon Surface Scattering on Thermal Energy Distribution of Si and SiGe Nanowires
Malhotra, Abhinav; Maldovan, Martin
2016-01-01
Thermal transport in nanostructures has attracted considerable attention in the last decade but the precise effects of surfaces on heat conduction have remained unclear due to a limited accuracy in the treatment of phonon surface scattering phenomena. Here, we investigate the impact of phonon-surface scattering on the distribution of thermal energy across phonon wavelengths and mean free paths in Si and SiGe nanowires. We present a rigorous and accurate description of phonon scattering at surfaces and predict and analyse nanowire heat spectra for different diameters and surface conditions. We show that the decrease in the diameter and increased roughness and correlation lengths makes the heat phonon spectra significantly shift towards short wavelengths and mean free paths. We also investigate the emergence of phonon confinement effects for small diameter nanowires and different surface scattering properties. Computed results for bulk materials show excellent agreement with recent experimentally-based approaches that reconstruct the mean-free-path heat spectra. Our phonon surface scattering model allows for an accurate theoretical extraction of heat spectra in nanowires and contributes to elucidate the development of critical phonon transport modes such as phonon confinement and coherent interference effects. PMID:27174699
NASA Astrophysics Data System (ADS)
Trigo, Mariano; Reis, David
2014-03-01
In a solid, the elementary excitations of the crystalline lattice (phonons) determine the macroscopic properties such as thermal transport and structural stability. The spectrum of these elementary excitations is normally obtained from inelastic neutron and x-ray scattering near equilibrium conditions, which is a Fourier transform of the spatial and temporal correlations of the system. Recent advances in Free Electron Laser sources provide sufficient flux and time-resolution to explore the dynamics of solids at the fundamental time- and length-scales of the atomic motions. In this talk I will show that by probing phonon correlations by femtosecond diffuse scattering in photoexcited germanium, we were able to obtain the phonon dispersion with extreme frequency and momentum resolution without analyzing the energy of the outgoing photon. I will show that time-dependent coherences are generated when an ultrafast laser pulse slightly quenches the phonon frequencies, generating pairs of correlated phonons at equal and opposite momenta. Using this approach we obtain an extremely high-resolution probe of the excited-state phonon dispersion over large sections of momentum space by a simple Fourier transform.
NASA Astrophysics Data System (ADS)
Birt, Daniel R.; An, Kyongmo; Weathers, Annie; Shi, Li; Tsoi, Maxim; Li, Xiaoqin
2013-02-01
We demonstrate the use of the micro-Brillouin light scattering (micro-BLS) technique as a local temperature sensor for magnons in a permalloy (Py) thin film and phonons in the glass substrate. When the Py film is uniformly heated, we observe a systematic shift in the frequencies of two thermally excited perpendicular standing spin wave modes. Fitting the temperature dependent magnon spectra allows us to achieve a temperature resolution better than 2.5 K. In addition, we demonstrate that the micro-BLS spectra can be used to measure the local temperature of magnons and the relative temperature shift of phonons across a thermal gradient. Such local temperature sensors are useful for investigating spin caloritronic and thermal transport phenomena in general.
Inelastic x-ray scattering measurements of phonon dispersion and lifetimes in PbTe1-x Se x alloys
NASA Astrophysics Data System (ADS)
Tian, Zhiting; Li, Mingda; Ren, Zhensong; Ma, Hao; Alatas, Ahmet; Wilson, Stephen D.; Li, Ju
2015-09-01
PbTe1-x Se x alloys are of special interest to thermoelectric applications. Inelastic x-ray scattering determination of phonon dispersion and lifetimes along the high symmetry directions for PbTe1-x Se x alloys are presented. By comparing with calculated results based on the virtual crystal model calculations combined with ab initio density functional theory, the validity of virtual crystal model is evaluated. The results indicate that the virtual crystal model is overall a good assumption for phonon frequencies and group velocities despite the softening of transverse acoustic phonon modes along [1 1 1] direction, while the treatment of lifetimes warrants caution. In addition, phonons remain a good description of vibrational modes in PbTe1-x Se x alloys.
Temperature Dependence of Brillouin Light Scattering Spectra of Acoustic Phonons in Silicon
NASA Astrophysics Data System (ADS)
Somerville, Kevin; Klimovich, Nikita; An, Kyongmo; Sullivan, Sean; Weathers, Annie; Shi, Li; Li, Xiaoqin
2015-03-01
Thermal management represents an outstanding challenge in many areas of technology. Electrons, optical phonons, and acoustic phonons are often driven out of local equilibrium in electronic devices or during laser-material interaction processes. Interest in non-equilibrium transport processes has motivated the development of Raman spectroscopy as a local temperature sensor of optical phonons and intermediate frequency acoustic phonons, whereas Brillouin light scattering (BLS) has recently been explored as a temperature sensor of low-frequency acoustic phonons. Here, we report temperature dependent BLS spectra of silicon, with Raman spectra taken simultaneously for comparison. The origins of the observed temperature dependence of the BLS peak position, linewidth, and intensity are examined in order to evaluate their potential use as temperature sensors for acoustic phonons. We determine that the integrated BLS intensity can be used measure the temperature of specific acoustic phonon modes. This work is supported by National Science Foundation (NSF) Thermal Transport Processes Program under Grant CBET-1336968.
A Bond-order Theory on the Phonon Scattering by Vacancies in Two-dimensional Materials
NASA Astrophysics Data System (ADS)
Xie, Guofeng; Shen, Yulu; Wei, Xiaolin; Yang, Liwen; Xiao, Huaping; Zhong, Jianxin; Zhang, Gang
2014-05-01
We theoretically investigate the phonon scattering by vacancies, including the impacts of missing mass and linkages () and the variation of the force constant of bonds associated with vacancies () by the bond-order-length-strength correlation mechanism. We find that in bulk crystals, the phonon scattering rate due to change of force constant is about three orders of magnitude lower than that due to missing mass and linkages . In contrast to the negligible in bulk materials, in two-dimensional materials can be 3-10 folds larger than . Incorporating this phonon scattering mechanism to the Boltzmann transport equation derives that the thermal conductivity of vacancy defective graphene is severely reduced even for very low vacancy density. High-frequency phonon contribution to thermal conductivity reduces substantially. Our findings are helpful not only to understand the severe suppression of thermal conductivity by vacancies, but also to manipulate thermal conductivity in two-dimensional materials by phononic engineering.
A Bond-order Theory on the Phonon Scattering by Vacancies in Two-dimensional Materials
Xie, Guofeng; Shen, Yulu; Wei, Xiaolin; Yang, Liwen; Xiao, Huaping; Zhong, Jianxin; Zhang, Gang
2014-01-01
We theoretically investigate the phonon scattering by vacancies, including the impacts of missing mass and linkages () and the variation of the force constant of bonds associated with vacancies () by the bond-order-length-strength correlation mechanism. We find that in bulk crystals, the phonon scattering rate due to change of force constant is about three orders of magnitude lower than that due to missing mass and linkages . In contrast to the negligible in bulk materials, in two-dimensional materials can be 3–10 folds larger than . Incorporating this phonon scattering mechanism to the Boltzmann transport equation derives that the thermal conductivity of vacancy defective graphene is severely reduced even for very low vacancy density. High-frequency phonon contribution to thermal conductivity reduces substantially. Our findings are helpful not only to understand the severe suppression of thermal conductivity by vacancies, but also to manipulate thermal conductivity in two-dimensional materials by phononic engineering. PMID:24866858
Determination of phonon dispersion relations by X-ray thermal diffuse scattering
Xu, R.; Chiang, T.-C.
2010-07-20
Thermal diffuse scattering (TDS) of X-rays from crystals contains information on phonons. This paper reviews the general theory of TDS and some recent experiments aimed at further developing TDS into a useful and efficient method for studying phonon dispersion relations.
NASA Astrophysics Data System (ADS)
Trigo, M.; Fuchs, M.; Chen, J.; Jiang, M. P.; Cammarata, M.; Fahy, S.; Fritz, D. M.; Gaffney, K.; Ghimire, S.; Higginbotham, A.; Johnson, S. L.; Kozina, M. E.; Larsson, J.; Lemke, H.; Lindenberg, A. M.; Ndabashimiye, G.; Quirin, F.; Sokolowski-Tinten, K.; Uher, C.; Wang, G.; Wark, J. S.; Zhu, D.; Reis, D. A.
2013-12-01
The macroscopic characteristics of a material are determined by its elementary excitations, which dictate the response of the system to external stimuli. The spectrum of excitations is related to fluctuations in the density-density correlations and is typically measured through frequency-domain neutron or X-ray scattering. Time-domain measurements of these correlations could yield a more direct way to investigate the excitations of solids and their couplings both near to and far from equilibrium. Here we show that we can access large portions of the phonon dispersion of germanium by measuring the diffuse scattering from femtosecond X-ray free-electron laser pulses. A femtosecond optical laser pulse slightly quenches the vibrational frequencies, producing pairs of high-wavevector phonons with opposite momenta. These phonons manifest themselves as time-dependent coherences in the displacement correlations probed by the X-ray scattering. As the coherences are preferentially created in regions of strong electron-phonon coupling, the time-resolved approach is a natural spectroscopic tool for probing low-energy collective excitations in solids, and their microscopic interactions.
Neutron Scattering Investigation of Phonon Scattering Rates in Ag1-xSb1+xTe2+x (x = 0, 0.1, and 0.2)
Abernathy, Douglas L; Budai, John D; Delaire, Olivier A; Ehlers, Georg; Hong, Tao; Karapetrova, Evguenia A.; Ma, Jie; May, Andrew F; McGuire, Michael A; Specht, Eliot D
2014-01-01
The phonon dispersions and scattering rates of the thermoelectric material AgSbTe$_{2}$ were measured as a function of temperature with inelastic neutron scattering. The results show that phonon scattering rates are large and weakly dependent on temperature. The lattice thermal conductivity was calculated from the measured phonon lifetimes and group velocities, providing good agreement with bulk transport measurements. The measured phonon scattering rates and their temperature dependence are compared with models of phonon scattering by anharmonicity and point defect. We find that these processes cannot account for the large total phonon scattering rates observed, and their lack of temperature dependence. Neutron and synchrotron diffraction measurements on single crystals revealed an extensive nanostructure from cation ordering, which is likely responsible for the strong phonon scattering.
Temperature dependence of Brillouin light scattering spectra of acoustic phonons in silicon
NASA Astrophysics Data System (ADS)
Olsson, Kevin S.; Klimovich, Nikita; An, Kyongmo; Sullivan, Sean; Weathers, Annie; Shi, Li; Li, Xiaoqin
2015-02-01
Electrons, optical phonons, and acoustic phonons are often driven out of local equilibrium in electronic devices or during laser-material interaction processes. The need for a better understanding of such non-equilibrium transport processes has motivated the development of Raman spectroscopy as a local temperature sensor of optical phonons and intermediate frequency acoustic phonons, whereas Brillouin light scattering (BLS) has recently been explored as a temperature sensor of low-frequency acoustic phonons. Here, we report the measured BLS spectra of silicon at different temperatures. The origins of the observed temperature dependence of the BLS peak position, linewidth, and intensity are examined in order to evaluate their potential use as temperature sensors for acoustic phonons.
Temperature dependence of Brillouin light scattering spectra of acoustic phonons in silicon
Olsson, Kevin S.; Klimovich, Nikita; An, Kyongmo; Sullivan, Sean; Weathers, Annie; Shi, Li E-mail: elaineli@physics.utexas.edu; Li, Xiaoqin E-mail: elaineli@physics.utexas.edu
2015-02-02
Electrons, optical phonons, and acoustic phonons are often driven out of local equilibrium in electronic devices or during laser-material interaction processes. The need for a better understanding of such non-equilibrium transport processes has motivated the development of Raman spectroscopy as a local temperature sensor of optical phonons and intermediate frequency acoustic phonons, whereas Brillouin light scattering (BLS) has recently been explored as a temperature sensor of low-frequency acoustic phonons. Here, we report the measured BLS spectra of silicon at different temperatures. The origins of the observed temperature dependence of the BLS peak position, linewidth, and intensity are examined in order to evaluate their potential use as temperature sensors for acoustic phonons.
NASA Astrophysics Data System (ADS)
Shen, Yulu; Xie, Guofeng; Wei, Xiaolin; Zhang, Kaiwang; Tang, Minghua; Zhong, Jianxin; Zhang, Gang; Zhang, Yong-Wei
2014-02-01
Although graphene holds great promise in thermal applications owing to its superior thermal conductivity, an intriguing question remains as to which polarizations and frequencies are dominant in its heat conduction. In this work, by incorporating the direction-dependent phonon-boundary scattering and the special selection rule for three-phonon scattering into the linearized phonon Boltzmann transport equation, we systematically investigate the relative contributions from longitudinal-acoustic, transverse-acoustic, and out-of-plane acoustic (ZA) branches to the thermal conductivity of graphene ribbons, focusing on the effects of their size and temperature. We find that the relative contribution from ZA branch to heat conduction increases with decreasing the size, specularity parameter, and temperature of graphene ribbons. Our analysis reveals that this change arises from the huge difference in the phonon dispersion and in the phonon mean free path of Umklapp process between in-plane and out-of-plane branches.
Surface polar optical phonon scattering of carriers in graphene on various substrates
NASA Astrophysics Data System (ADS)
Lin, I.-Tan; Liu, Jia-Ming
2013-08-01
The surface polar optical phonon scattering of carriers in graphene on various substrates is thoroughly studied using Rode's iteration method. The dependence of the scattering rate on carrier energy, temperature, and Fermi energy is investigated. The experimental data in the literature on the temperature dependence of the resistivity can be fitted using only one free fitting parameter. The fitting results show that the coupling strengths of surface optical phonons are much stronger, by at least a factor of 3.5, than the theoretical prediction. The strong coupling also suggests that the deformation potential of acoustic phonons might have been overestimated in the literature.
Hillenbrand, Rainer
2004-08-01
Diffraction limits the spatial resolution in classical microscopy or the dimensions of optical circuits to about half the illumination wavelength. Scanning near-field microscopy can overcome this limitation by exploiting the evanescent near fields existing close to any illuminated object. We use a scattering-type near-field optical microscope (s-SNOM) that uses the illuminated metal tip of an atomic force microscope (AFM) to act as scattering near-field probe. The presented images are direct evidence that the s-SNOM enables optical imaging at a spatial resolution on a 10nm scale, independent of the wavelength used (lambda=633 nm and 10 microm). Operating the microscope at specific mid-infrared frequencies we found a tip-induced phonon-polariton resonance on flat polar crystals such as SiC and Si3N4. Being a spectral fingerprint of any polar material such phonon-enhanced near-field interaction has enormous applicability in nondestructive, material-specific infrared microscopy at nanoscale resolution. The potential of s-SNOM to study eigenfields of surface polaritons in nanostructures opens the door to the development of phonon photonics-a proposed infrared nanotechnology that uses localized or propagating surface phonon polaritons for probing, manipulating and guiding infrared light in nanoscale devices, analogous to plasmon photonics. PMID:15231334
Khurgin, Jacob B.; Bajaj, Sanyam; Rajan, Siddharth
2015-12-28
Longitudinal optical (LO) phonons in GaN generated in the channel of high electron mobility transistors (HEMT) are shown to undergo nearly elastic scattering via collisions with hot electrons. The net result of these collisions is the diffusion of LO phonons in the Brillouin zone causing reduction of phonon and electron temperatures. This previously unexplored diffusion mechanism explicates how an increase in electron density causes reduction of the apparent lifetime of LO phonons, obtained from the time resolved Raman studies and microwave noise measurements, while the actual decay rate of the LO phonons remains unaffected by the carrier density. Therefore, the saturation velocity in GaN HEMT steadily declines with increased carrier density, in a qualitative agreement with experimental results.
Phonon Lifetime Measurement by Stimulated Brillouin Scattering Slow Light Technique in Optical Fiber
NASA Astrophysics Data System (ADS)
Chen, Wei; Meng, Zhou; Zhou, Hui-Juan
2013-07-01
Phonon lifetime is a significant parameter in the process of stimulated Brillouin scattering (SBS). In the present study, SBS slow light technique is used to measure phonon lifetime. Brillouin bandwidth is divided into natural, spontaneous and stimulated bandwidth. Compared with the traditional heterodyne-detection and pump-probe techniques, the natural Brillouin bandwidth can be obtained by SBS slow light technique, which equals the reciprocal of phonon lifetime and has no relations with the pump power. Another advantage of this technique is that the effect of polarization can be excluded. The natural Brillouin bandwidth is measured to be ~50 MHz and the phonon lifetime ~3.2 ns in the conventional single-mode fiber (SMF) at room temperature and zero strain. The obtained results are guidable in applications where the phonon lifetime information is a requisite such as phase conjugation and pulse compression.
Parity conservation in electron-phonon scattering in zigzag graphene nanoribbon
Chu, Yanbiao; Gautreau, Pierre; Basaran, Cemal
2014-09-15
In contrast with carbon nanotubes, the absence of translational symmetry (or periodical boundary condition) in the restricted direction of zigzag graphene nanoribbon removes the selection rule of subband number conservation. However, zigzag graphene nanoribbons with even dimers do have the inversion symmetry. We, therefore, propose a selection rule of parity conservation for electron-phonon interactions. The electron-phonon scattering matrix in zigzag graphene nanoribbons is developed using the tight-binging model within the deformation potential approximation.
Ballistic Performance Study of Nanowire FET: Effect of Channel Materials and Phonon Scattering
NASA Astrophysics Data System (ADS)
Iztihad, Hossain Md.; Khan, Touhid; Sufian, Abu; Alam, Md. Nur Kutubul; Mollah, Md. Nurunnabi; Islam, Md. Rafiqul
2016-02-01
The ballistic performance of Si and Ge nanowire (NW) is compared in this study. Current-voltage characteristic is obtained by self-consistently solving the nonequilibrium Green’s function (NEGF) transport equation with Poisson’s equation. The result is obtained at ⟨001⟩ channel orientation. Simulation result shows Ge NW gives higher ON-state current than Si NW, when OFF-state current is made equal by gate metal work function engineering. However, at subthreshold region, performance of NW FET for both material is almost identical. The intravalley and intervalley electron-phonon scattering effect is also calculated using the deformation potential theory and the self-consistent Born approximation. It is found that electron-phonon scattering effect is more pronounced at ON-state of Si NW FET. The ballistic current decreases with the decrease in diameter of the Si NW FET due to electron-phonon scattering.
Interplay between phonon and impurity scattering in two-dimensional hole transport
NASA Astrophysics Data System (ADS)
Min, Hongki; Hwang, E. H.; Das Sarma, S.
2012-08-01
We investigate temperature-dependent transport properties of two-dimensional p-GaAs systems taking into account both hole-phonon and hole-impurity scattering effects. By analyzing the hole mobility data of p-GaAs in the temperature range 10K
Phonon-interface scattering in multilayer graphene on an amorphous support
Sadeghi, Mir Mohammad; Jo, Insun; Shi, Li
2013-01-01
The recent studies of thermal transport in suspended, supported, and encased graphene just began to uncover the richness of two-dimensional phonon physics, which is relevant to the performance and reliability of graphene-based functional materials and devices. Among the outstanding questions are the exact causes of the suppressed basal-plane thermal conductivity measured in graphene in contact with an amorphous material, and the layer thickness needed for supported or embedded multilayer graphene (MLG) to recover the high thermal conductivity of graphite. Here we use sensitive in-plane thermal transport measurements of graphene samples on amorphous silicon dioxide to show that full recovery to the thermal conductivity of the natural graphite source has yet to occur even after the MLG thickness is increased to 34 layers, considerably thicker than previously thought. This seemingly surprising finding is explained by long intrinsic scattering mean free paths of phonons in graphite along both basal-plane and cross-plane directions, as well as partially diffuse scattering of MLG phonons by the MLG-amorphous support interface, which is treated by an interface scattering model developed for highly anisotropic materials. Based on the phonon transmission coefficient calculated from reported experimental thermal interface conductance results, phonons emerging from the interface consist of a large component that is scattered across the interface, making rational choice of the support materials a potential approach to increasing the thermal conductivity of supported MLG. PMID:24067656
Effects of composition and phonon scattering mechanisms on thermal transport in MFI zeolite films
NASA Astrophysics Data System (ADS)
Hudiono, Yeny; Greenstein, Abraham; Saha-Kuete, Carine; Olson, Brandon; Graham, Samuel; Nair, Sankar
2007-09-01
We report a systematic study that reveals the effect of composition (silicon-to-aluminum ratio) and the role of different phonon scattering processes on thermal transport in the nanoporous zeolite MFI. This is accomplished via synthesis of a series of films with graded compositions, thermal property measurements, and lattice dynamical modeling in the framework of the Boltzmann equation. MFI films with different Si/Al ratios (from infinity to 26) and constant (h0l) out-of-plane orientation were successfully synthesized by a seeded hydrothermal process. Three-omega measurements on these films allowed us to obtain comprehensive information on the thermal conductivity of MFI as a function of temperature (150-450 K) and Si/Al ratio. Detailed atomistic simulations (energy minimization and phonon dispersion calculations) were carried out for the MFI crystal structure with different Si/Al ratios and incorporated into a Boltzmann transport model along with approximate theoretical expressions for describing the rate of phonon scattering through umklapp, defect, and boundary scattering processes. The model predicts the observed thermal conductivity behavior very well across the entire range of temperature and composition investigated, with only a small number of fitting parameters of physical significance which allow us to distinguish the contributions of the different phonon scattering mechanisms. In particular, our results strongly suggest that the upper limit of thermal conductivity is defined by boundary-like scattering associated with the pore structure of the material. Below this limit, silicon substitution with aluminum allows considerable suppression of thermal conductivity by point defect scattering and a decrease in phonon velocity. These findings are important from the point of view of developing a robust platform for understanding thermal transport in complex crystalline materials with nanostructural features (such as an ordered nanopore network), which in turn
Semiclassical multi-phonon theory for atom-surface scattering: Application to the Cu(111) system
NASA Astrophysics Data System (ADS)
Daon, Shauli; Pollak, Eli
2015-05-01
The semiclassical perturbation theory of Hubbard and Miller [J. Chem. Phys. 80, 5827 (1984)] is further developed to include the full multi-phonon transitions in atom-surface scattering. A practically applicable expression is developed for the angular scattering distribution by utilising a discretized bath of oscillators, instead of the continuum limit. At sufficiently low surface temperature good agreement is found between the present multi-phonon theory and the previous one-, and two-phonon theory derived in the continuum limit in our previous study [Daon, Pollak, and Miret-Artés, J. Chem. Phys. 137, 201103 (2012)]. The theory is applied to the measured angular distributions of Ne, Ar, and Kr scattered from a Cu(111) surface. We find that the present multi-phonon theory substantially improves the agreement between experiment and theory, especially at the higher surface temperatures. This provides evidence for the importance of multi-phonon transitions in determining the angular distribution as the surface temperature is increased.
Semiclassical multi-phonon theory for atom-surface scattering: Application to the Cu(111) system.
Daon, Shauli; Pollak, Eli
2015-05-01
The semiclassical perturbation theory of Hubbard and Miller [J. Chem. Phys. 80, 5827 (1984)] is further developed to include the full multi-phonon transitions in atom-surface scattering. A practically applicable expression is developed for the angular scattering distribution by utilising a discretized bath of oscillators, instead of the continuum limit. At sufficiently low surface temperature good agreement is found between the present multi-phonon theory and the previous one-, and two-phonon theory derived in the continuum limit in our previous study [Daon, Pollak, and Miret-Artés, J. Chem. Phys. 137, 201103 (2012)]. The theory is applied to the measured angular distributions of Ne, Ar, and Kr scattered from a Cu(111) surface. We find that the present multi-phonon theory substantially improves the agreement between experiment and theory, especially at the higher surface temperatures. This provides evidence for the importance of multi-phonon transitions in determining the angular distribution as the surface temperature is increased. PMID:25956085
A bond-order theory on the phonon scattering by vacancies in two-dimensional materials.
Xie, Guofeng; Shen, Yulu; Wei, Xiaolin; Yang, Liwen; Xiao, Huaping; Zhong, Jianxin; Zhang, Gang
2014-01-01
We theoretically investigate the phonon scattering by vacancies, including the impacts of missing mass and linkages (τ(V)(-1)) and the variation of the force constant of bonds associated with vacancies (τ(A)(-1)) by the bond-order-length-strength correlation mechanism. We find that in bulk crystals, the phonon scattering rate due to change of force constant τ(A)(-1) is about three orders of magnitude lower than that due to missing mass and linkages τ(V)(-1). In contrast to the negligible τ(A)(-1) in bulk materials, τ(A)(-1) in two-dimensional materials can be 3-10 folds larger than τ(V)(-1). Incorporating this phonon scattering mechanism to the Boltzmann transport equation derives that the thermal conductivity of vacancy defective graphene is severely reduced even for very low vacancy density. High-frequency phonon contribution to thermal conductivity reduces substantially. Our findings are helpful not only to understand the severe suppression of thermal conductivity by vacancies, but also to manipulate thermal conductivity in two-dimensional materials by phononic engineering. PMID:24866858
Semiclassical multi-phonon theory for atom-surface scattering: Application to the Cu(111) system
Daon, Shauli; Pollak, Eli
2015-05-07
The semiclassical perturbation theory of Hubbard and Miller [J. Chem. Phys. 80, 5827 (1984)] is further developed to include the full multi-phonon transitions in atom-surface scattering. A practically applicable expression is developed for the angular scattering distribution by utilising a discretized bath of oscillators, instead of the continuum limit. At sufficiently low surface temperature good agreement is found between the present multi-phonon theory and the previous one-, and two-phonon theory derived in the continuum limit in our previous study [Daon, Pollak, and Miret-Artés, J. Chem. Phys. 137, 201103 (2012)]. The theory is applied to the measured angular distributions of Ne, Ar, and Kr scattered from a Cu(111) surface. We find that the present multi-phonon theory substantially improves the agreement between experiment and theory, especially at the higher surface temperatures. This provides evidence for the importance of multi-phonon transitions in determining the angular distribution as the surface temperature is increased.
Addition and subtraction of single phonons in a trapped ion system
NASA Astrophysics Data System (ADS)
Lv, Dingshun; An, Shuoming; Um, Mark; Lu, Yao; Zhang, Jingning; Kim, Kihwan
2014-05-01
We introduce an addition and subtraction of single phonons in a trapped ion system. The creation â† and annihilation â operation have been realized with photons and used for the complete engineering of quantum states of light and the probe of fundamental quantum phenomena. The mathematical description of photon is identical to that of phonon. However, phonon is a particle of quantized matter wave, which should be interpreted differently from photon. We implement the addition and the subtraction of phonon by applying an anti-Jaynes-Cummings type of operation on our trapped ion and performing projective measurements. Our realization can be used for the accurate measurement of position and momentum as well as their relation. This work was supported by the National Basic Research Program of China Grant 2011CBA00300, 2011CBA00301, 2011CBA00302, the National Natural Science Foundation of China Grant 61073174, 61033001, 61061130540.
Electron-interface-phonon scattering in graded quantum wells of Ga1-xAlxAs
NASA Astrophysics Data System (ADS)
Duan, Wenhui; Zhu, Jia-Lin; Gu, Bing-Lin
1994-05-01
Using the method of series expansion, interface-phonon vibrational modes are calculated in the dielectric continuum model for the graded quantum well of Ga1-xAlxAs with a Ga0.6Al0.4As barrier. The intrasubband and intersubband scattering rates are obtained as functions of quantum-well width. The results reveal that the behavior of interface phonon modes is very different from that in a square quantum-well structure. It is found that the electron-interface-phonon scattering rates can be changed remarkably in a graded quantum-well structure compared with those in a square quantum-well structure, which is useful for some device applications.
Thermal conductivity in large-J two-dimensional antiferromagnets: Role of phonon scattering
Chernyshev, A. L.; Brenig, Wolfram
2015-08-05
Different types of relaxation processes for magnon heat current are discussed, with a particular focus on coupling to three-dimensional phonons. There is thermal conductivity by these in-plane magnetic excitations using two distinct techniques: Boltzmann formalism within the relaxation-time approximation and memory-function approach. Also considered are the scattering of magnons by both acoustic and optical branches of phonons. We demonstrate an accord between the two methods, regarding the asymptotic behavior of the effective relaxation rates. It is strongly suggested that scattering from optical or zone-boundary phonons is important for magnon heat current relaxation in a high-temperature window of ΘD≲T<< J.
LA phonons scattering of surface electrons in Bi2Se3
NASA Astrophysics Data System (ADS)
Huang, Lang-Tao; Zhu, Bang-Fen
2013-03-01
Within the Boltzmann equation formalism we evaluate the transport relaxation time of Dirac surface states (SSs) in the typical topological insulator(TI) Bi2Se3 due to the phonon scattering. We find that although the back-scattering of the SSs in TIs is strictly forbidden, the in-plane scattering between SSs in 3-dimensional TIs is allowed, maximum around the right-angle scattering. Thus the topological property of the SSs only reduces the scattering rate to its one half approximately. Besides, the larger LA deformation potential and lower sound velocity of Bi2Se3 enhance the scattering rate significantly. Compared with the Dirac electrons in graphene, we find the scattering rate of SSs in Bi2Se3 are two orders of magnitudes larger, which agree with the recent transport experiments. This work was supported by the NSFC (Grant No. 11074143), and the Program of Basic Research Development of China (Grant No. 2011CB921901).
LA phonons scattering of surface electrons in Bi2Se3
NASA Astrophysics Data System (ADS)
Huang, Lang-Tao; Zhu, Bang-Fen
2013-12-01
Within the Boltzmann equation formalism we evaluate the transport relaxation time of Dirac surface states (SSs) in the typical topological insulator(TI) Bi2Se3 due to the phonon scattering. We find that although the back-scattering of the SSs in TIs is strictly forbidden, the in-plane scattering between SSs in 3-dimensional TIs is allowed, maximum around the right-angle scattering. Thus the topological property of the SSs only reduces the scattering rate to its one half approximately. Besides, the larger LA deformation potential and lower sound velocity of Bi2Se3 enhance the scattering rate significantly. Compared with the Dirac electrons in graphene, we find the scattering rate of SSs in Bi2Se3 are two orders of magnitudes larger, which agree with the recent transport experiments.
Phonon dispersion in uranium measured using inelastic x-ray scattering.
Manley, M. E.; Lander, G. H.; Sinn, H.; Alatas, A.; Hults, W. L.; McQueeney, R. J.; Smith, J. L.; Wilt, J.; XFD
2003-02-01
Phonon-dispersion curves were obtained from inelastic x-ray scattering measurements on high-purity uranium single crystals at room temperature. Modes displacing atoms along [00{zeta}] and propagating in all three high-symmetry directions were measured. Whereas the acoustic modes agree with the neutron measurements, the longitudinal-optic branch is about 10% higher in energy, but consistent with higher cutoff energies observed in phonon density-of-states measurements on polycrystals. The application of this x-ray technique, which requires only very small samples, opens possibilities in actinide science.
NASA Astrophysics Data System (ADS)
Xiong, Qihua; Eklund, P. C.
2005-03-01
Raman scattering from surface optic (SO) phonons has been observed and identified in cylindrical GaP and rectangular cross-section ZnS nanowires. We propose that the symmetry breaking mechanism which activates the SO phonon is a periodic modulation of the cross-sectional area along the nanowires. In the case of cylindrical GaP nanowires, Raman scattering from SO phonons in air at room temperature is observed at 394 cm-1, in between the first order longitudinal optic (LO) (401 cm-1) and transverse optic (TO) (367 cm-1), and downshift to 392 cm-1 in dichloromethane (?m=2.0) and 390 cm-1 in aniline (?m=2.56). Raman scattering from the ZnS nanowires in air at room temperature reveals a strong first-order LO mode at 346 cm-1 and two TO modes at 269 and 282 cm-1. The SO Raman band in ZnS is observed at 335 cm-1 in air, and downshifts to 328 cm-1 in dichloromethane and to 326 cm-1 in aniline. The position of the SO band in GaP and ZnS nanowires is consistent with a dielectric continuum model. Theoretical SO phonon dispersion for both cylindrical and rectangular cross-section nanowires is presented and compared to experiment. This work was supported by the NSF NIRT program (DMR- 0304178).
Effect of an electric field on electron-interface-phonon scattering in a graded quantum well
NASA Astrophysics Data System (ADS)
Zhu, Jia-Lin; Duan, Wenhui; Gu, Bing-Lin; Wu, Jian
1996-02-01
Within the dielectric continuum model, the effect of an applied longitudinal electric field on electron-interface-phonon scattering is studied for the graded quantum well of Ga 1- xAl xAs with a Ga 0.6Al 0.4As barrier, and compared with that in a staircase-like square quantum well structure. The electron subband and interface phonon modes are calculated using the method of series expansion. The intrasubband and intersubband scattering rates are obtained as functions of the applied electric field, and the influence of the composition gradient of a graded quantum well on the scattering rates is shown. It is found that the variation of the interface-phonon scattering rates with the applied electric field in a graded quantum well structure is significantly different from that in a staircase-like square quantum well structure. However, there is much less difference in the variation of the total scattering rates between the two structures.
Phonon density of states of α - and δ -plutonium by inelastic x-ray scattering
NASA Astrophysics Data System (ADS)
Manley, M. E.; Said, A. H.; Fluss, M. J.; Wall, M.; Lashley, J. C.; Alatas, A.; Moore, K. T.; Shvyd'Ko, Yu.
2009-02-01
Inelastic x-ray scattering measurements of the phonon density of states (DOS) were performed on polycrystalline samples of pure α-Pu and δ-Pu0.98Ga0.02 at room temperature. The heat capacity of α-Pu is well reproduced by contributions calculated from the measured phonon DOS plus conventional thermal-expansion and electronic contributions, showing that α-Pu is a “well-behaved” metal in this regard. A comparison of the phonon DOS of the two phases at room temperature showed that the vibrational entropy difference between them is only a quarter of the total entropy difference expected from known thermodynamic measurements. The missing entropy is too large to be accounted for by conventional electronic entropy and evidence from the literature rules out a contribution from spin fluctuations. Possible alternative sources for the missing entropy are discussed.
Choi, B.H.; Poe, R.T.
1985-08-01
We present a systematic formulation of the atom--surface scattering dynamics which includes the vibrational states of the atoms in the solid (phonons). The properties of the total scattering wave function of the system, a representation of the interaction potential matrix, and the characteristics of the independent physical solutions are all derived from the translational invariance of the full Hamiltonian. The scattering equations in the integral forms as well as the related Green functions were also obtained. The configurational representations of the Green functions, in particular, are quite different from those of the conventional scattering theory where the collision partners are spatially localized. Various versions of the integral expression of scattering, transition, and reactance matrices were also obtained. They are useful for introducing approximation schemes. From the present formulation, some specific theoretical schemes which are more realistic compared to those that have been employed so far and at the same time capable of yielding effective ab initio computation are derived in the following paper. The time reversal invariance and the microscopic reversibility of the atom--surface scattering were discussed. The relations between the in and outgoing scattering wave functions which are satisfied in the atom--surface system and important in the transition matrix methods were presented. The phonon annihilation and creation, and the adsorption and desorption of the atom are related through the time reversal invariance, and thus the microscopic reversibility can be tested by the experiment.
Resonant raman scattering and dispersion of polar optical and acoustic phonons in hexagonal inn
Davydov, V. Yu. Klochikhin, A. A.; Smirnov, A. N.; Strashkova, I. Yu.; Krylov, A. S.; Lu Hai; Schaff, William J.; Lee, H.-M.; Hong, Y.-L.; Gwo, S.
2010-02-15
It is shown that a study of the dependence of impurity-related resonant first-order Raman scattering on the frequency of excitation light makes it possible to observe the dispersion of polar optical and acoustic branches of vibrational spectrum in hexagonal InN within a wide range of wave vectors. It is established that the wave vectors of excited phonons are uniquely related to the energy of excitation photon. Frequencies of longitudinal optical phonons E{sub 1}(LO) and A{sub 1}(LO) in hexagonal InN were measured in the range of excitation-photon energies from 2.81 to 1.17 eV and the frequencies of longitudinal acoustic phonons were measured in the range 2.81-1.83 eV of excitation-photon energies. The obtained dependences made it possible to extrapolate the dispersion of phonons A{sub 1}(LO) and E{sub 1}(LO) to as far as the point {Gamma} in the Brillouin zone and estimate the center-band energies of these phonons (these energies have not been uniquely determined so far).
Phononic thermal resistance due to a finite periodic array of nano-scatterers
NASA Astrophysics Data System (ADS)
Trang Nghiêm, T. T.; Chapuis, Pierre-Olivier
2016-07-01
The wave property of phonons is employed to explore the thermal transport across a finite periodic array of nano-scatterers such as circular and triangular holes. As thermal phonons are generated in all directions, we study their transmission through a single array for both normal and oblique incidences, using a linear dispersionless time-dependent acoustic frame in a two-dimensional system. Roughness effects can be directly considered within the computations without relying on approximate analytical formulae. Analysis by spatio-temporal Fourier transform allows us to observe the diffraction effects and the conversion of polarization. Frequency-dependent energy transmission coefficients are computed for symmetric and asymmetric objects that are both subject to reciprocity. We demonstrate that the phononic array acts as an efficient thermal barrier by applying the theory of thermal boundary (Kapitza) resistances to arrays of smooth scattering holes in silicon for an exemplifying periodicity of 10 nm in the 5-100 K temperature range. It is observed that the associated thermal conductance has the same temperature dependence as that without phononic filtering.
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.
Imaging phonons in a fcc Pu-Ga alloy by thermal diffuse x-ray scattering
NASA Astrophysics Data System (ADS)
Wong, Joe; Wall, M.; Schwartz, A. J.; Xu, R.; Holt, M.; Hong, Hawoong; Zschack, P.; Chiang, T.-C.
2004-05-01
X-ray thermal diffuse scattering intensity patterns from phonons in a fcc δ-Pu-Ga alloy have been recorded using an 18 keV undulator x-ray beam with a beam diameter of 25 μm. The results are consistent with patterns calculated using the Born-von Karman force constant model of lattice dynamics, and support the pronounced softening of the transverse acoustic branch along the [111] direction observed from inelastic x-ray scattering measurements. This work demonstrates the feasibility of using a "large-grain, small beam" approach to study lattice properties, such as phonon dispersion curves, of materials not readily available in the form of large single crystals.
NASA Astrophysics Data System (ADS)
Latour, B.; Volz, S.; Chalopin, Y.
2014-07-01
We demonstrate the existence of a coherent transport of thermal energy in superlattices by introducing a microscopic definition of the phonon coherence length. A criterion is provided to distinguish the coherent transport regime from diffuse interface scattering and discuss how these can be specifically controlled by several physical parameters. Our approach provides a convenient framework for the interpretation of previous thermal conductivity measurements and calculations; it also paves the way for the design of a new class of thermal interface materials.
NASA Astrophysics Data System (ADS)
Essert, Sven; Schneider, Hans Christian
2011-12-01
We theoretically investigate spin-dependent carrier dynamics due to the electron-phonon interaction after ultrafast optical excitation in ferromagnetic metals. We calculate the electron-phonon matrix elements including the spin-orbit interaction in the electronic wave functions and the interaction potential. Using the matrix elements in Boltzmann scattering integrals, the momentum-resolved carrier distributions are obtained by solving their equation of motion numerically. We find that the optical excitation with realistic laser intensities alone leads to a negligible magnetization change, and that the demagnetization due to electron-phonon interaction is mostly due to hole scattering. Importantly, the calculated demagnetization quenching due to this Elliot-Yafet-type depolarization mechanism is not large enough to explain the experimentally observed result. We argue that the ultrafast demagnetization of ferromagnets does not occur exclusively via an Elliott-Yafet type process, i.e., scattering in the presence of the spin-orbit interaction, but is influenced to a large degree by a dynamical change of the band structure, i.e., the exchange splitting.
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
Spin-dependent intravalley and intervalley electron-phonon scatterings in germanium
NASA Astrophysics Data System (ADS)
Liu, Z.; Nestoklon, M. O.; Cheng, J. L.; Ivchenko, E. L.; Wu, M. W.
2013-08-01
The spin-dependent electron-phonon scattering in the L and Γ valleys of germanium crystals has been investigated theoretically. For this purpose, the 16 × 16 k · p Hamiltonian correctly describing the electron dispersion in the vicinity of the L point of the Brillouin zone in germanium in the lowest conduction bands and the highest valence bands has been constructed. This Hamiltonian facilitates the analysis of the spin-dependent properties of conduction electrons. Then, the electron scatterings by phonons in the L and Γ valleys, i.e., intra- L valley, intra-Γ valley, inter- L-Γ valley, and inter- L-L valley scatterings, have been considered successively. The scattering matrix expanded in powers of the electron wave vectors counted from the centers of the valleys has been constructed using the invariant method for each type of processes. The numerical coefficients in these matrices have been found by the pseudopotential method. The partial contributions of the Elliott and Yafet mechanisms to the spin-dependent electron scattering have been analyzed. The obtained results can be used in studying the optical orientation and relaxation of hot electrons in germanium.
Kakodkar, Rohit R.; Feser, Joseph P.
2015-09-07
We present a numerical approach to the solution of elastic phonon-interface and phonon-nanostructure scattering problems based on a frequency-domain decomposition of the atomistic equations of motion and the use of perfectly matched layer (PML) boundaries. Unlike molecular dynamic wavepacket analysis, the current approach provides the ability to simulate scattering from individual phonon modes, including wavevectors in highly dispersive regimes. Like the atomistic Green's function method, the technique reduces scattering problems to a system of linear algebraic equations via a sparse, tightly banded matrix regardless of dimensionality. However, the use of PML boundaries enables rapid absorption of scattered wave energies at the boundaries and provides a simple and inexpensive interpretation of the scattered phonon energy flux calculated from the energy dissipation rate in the PML. The accuracy of the method is demonstrated on connected monoatomic chains, for which an analytic solution is known. The parameters defining the PML are found to affect the performance and guidelines for selecting optimal parameters are given. The method is used to study the energy transmission coefficient for connected diatomic chains over all available wavevectors for both optical and longitudinal phonons; it is found that when there is discontinuity between sublattices, even connected chains of equivalent acoustic impedance have near-zero transmission coefficient for short wavelengths. The phonon scattering cross section of an embedded nanocylinder is calculated in 2D for a wide range of frequencies to demonstrate the extension of the method to high dimensions. The calculations match continuum theory for long-wavelength phonons and large cylinder radii, but otherwise show complex physics associated with discreteness of the lattice. Examples include Mie oscillations which terminate when incident phonon frequencies exceed the maximum available frequency in the embedded nanocylinder, and
Size and temperature dependence of the electron–phonon scattering by donors in nanowire transistors
NASA Astrophysics Data System (ADS)
Bescond, M.; Carrillo-Nuñez, H.; Berrada, S.; Cavassilas, N.; Lannoo, M.
2016-08-01
Due to the constant size reduction, single-donor-based nanowire transistors receive an increasing interest from the semi-conductor industry. In this work we theoretically investigate the coupled influence of electron-phonon scattering, temperature and size (cross-section and channel length) on the properties of such systems. The aim is to determine under what conditions the localized character of the donor has a remarkable impact on the current characteristics. We use a quantum non-equilibrium Green's function approach in which the acoustic electron-phonon scattering is treated through local self-energies. We first show how this widely used approach, valid at high temperatures, can be extended to lower temperatures. Our simulations predict a hysteresis in the current when reducing the temperature down to 150 K. We also find that acoustic phonons degrade the current characteristics while their optical counterparts might have a beneficial impact with an increase of the ON-current. Finally we discuss the influence of nanowire length and cross-section and emphasize the complexity of precisely controlling the dopant level at room temperature.
NASA Astrophysics Data System (ADS)
Lindsay, L.; Broido, D. A.; Reinecke, T. L.
2013-10-01
The interplay between phonon-isotope and phonon-phonon scattering in determining lattice thermal conductivities in semiconductors and insulators is examined using an ab initio Boltzmann transport equation approach. We identify materials with large enhancements to their thermal conductivities with isotopic purification, known as the isotope effect, and we focus in particular on results for beryllium-VI compounds and cubic germanium carbide. We find that germanium carbide and beryllium selenide have very large room temperature isotope effects of 450%, far larger than in any other material. Thus, isotopic purification in these materials gives surprisingly high intrinsic room temperature thermal conductivities, over 1500 Wm-1 K-1 for germanium carbide and over 600 Wm-1 K-1 for beryllium selenide, well above those of the best metals. In compound semiconductors, a large mass ratio of the constituent atoms and large isotope mixture for the heavier atom gives enhanced isotope scattering. A frequency gap between acoustic and optic phonons (also due to a large mass ratio) and bunching of the acoustic phonon branches give weak anharmonic scattering. Combined, weak anharmonic phonon scattering and strong isotope scattering give a large isotope effect in the materials examined here. The physical insights discussed in this work will help guide the efficient manipulation of thermal transport properties of compound semiconductors through isotopic modification.
NASA Astrophysics Data System (ADS)
Holmes, Jesse Curtis
Nuclear data libraries provide fundamental reaction information required by nuclear system simulation codes. The inclusion of data covariances in these libraries allows the user to assess uncertainties in system response parameters as a function of uncertainties in the nuclear data. Formats and procedures are currently established for representing covariances for various types of reaction data in ENDF libraries. This covariance data is typically generated utilizing experimental measurements and empirical models, consistent with the method of parent data production. However, ENDF File 7 thermal neutron scattering library data is, by convention, produced theoretically through fundamental scattering physics model calculations. Currently, there is no published covariance data for ENDF File 7 thermal libraries. Furthermore, no accepted methodology exists for quantifying or representing uncertainty information associated with this thermal library data. The quality of thermal neutron inelastic scattering cross section data can be of high importance in reactor analysis and criticality safety applications. These cross sections depend on the material's structure and dynamics. The double-differential scattering law, S(alpha, beta), tabulated in ENDF File 7 libraries contains this information. For crystalline solids, S(alpha, beta) is primarily a function of the material's phonon density of states (DOS). Published ENDF File 7 libraries are commonly produced by calculation and processing codes, such as the LEAPR module of NJOY, which utilize the phonon DOS as the fundamental input for inelastic scattering calculations to directly output an S(alpha, beta) matrix. To determine covariances for the S(alpha, beta) data generated by this process, information about uncertainties in the DOS is required. The phonon DOS may be viewed as a probability density function of atomic vibrational energy states that exist in a material. Probable variation in the shape of this spectrum may be
Excitons in one-phonon resonant Raman scattering: Fröhlich and interference effects
NASA Astrophysics Data System (ADS)
Cantarero, A.; Trallero-Giner, C.; Cardona, M.
1989-12-01
A theoretical model of resonant Raman scattering including excitons as intermediate states in the process is compared with recent experimental results in some III-V compound semiconductors where the Raman polarizability was obtained in absolute value for several scattering configurations. In particular, Fröhlich (F) interaction and its interference with the deformation potential (DP) one is analyzed in the E0+Δ0 critical point (CP) of GaAs at three different temperatures. Also the E0 and E0+Δ0 CP of GaP and E0+Δ0 of GaSb are analyzed. We show that the inclusion of impurity-induced forbidden LO-phonon Raman scattering is not necessary when excitonic effects are considered. The experimental data of GaAs corresponding to F interaction can be fitted by assuming a Fröhlich constant cF=0.14 eV Aṥ/2. Lifetime broadenings of 12 meV (10 K), 14 meV (100 K), and 28 meV (300 K) are deduced. The lifetime broadening of GaAs and GaSb at 100 K are taken from two-phonon Raman scattering spectra where the incoming and outgoing resonances are well defined. The general features in the comparison with the experiment is that the measured spectra corresponding to F interaction are well fitted; however, the theoretical interference is stronger than the measured one.
NASA Astrophysics Data System (ADS)
Xie, Hong-Yi; Foster, Matthew S.
2016-05-01
We study the electric and thermal transport of the Dirac carriers in monolayer graphene using the Boltzmann-equation approach. Motivated by recent thermopower measurements [F. Ghahari, H.-Y. Xie, T. Taniguchi, K. Watanabe, M. S. Foster, and P. Kim, Phys. Rev. Lett. 116, 136802 (2016), 10.1103/PhysRevLett.116.136802], we consider the effects of quenched disorder, Coulomb interactions, and electron-optical-phonon scattering. Via an unbiased numerical solution to the Boltzmann equation we calculate the electrical conductivity, thermopower, and electronic component of the thermal conductivity, and discuss the validity of Mott's formula and of the Wiedemann-Franz law. An analytical solution for the disorder-only case shows that screened Coulomb impurity scattering, although elastic, violates the Wiedemann-Franz law even at low temperature. For the combination of carrier-carrier Coulomb and short-ranged impurity scattering, we observe the crossover from the interaction-limited (hydrodynamic) regime to the disorder-limited (Fermi-liquid) regime. In the former, the thermopower and the thermal conductivity follow the results anticipated by the relativistic hydrodynamic theory. On the other hand, we find that optical phonons become non-negligible at relatively low temperatures and that the induced electron thermopower violates Mott's formula. Combining all of these scattering mechanisms, we obtain the thermopower that quantitatively coincides with the experimental data.
Using high pressure to study thermal transport and phonon scattering mechanisms
NASA Astrophysics Data System (ADS)
Hohensee, Gregory Thomas
The aerospace industry studies nanocomposites for heat dissipation and moderation of thermal expansion, and the semiconductor industry faces a Joule heating barrier in devices with high power density. My primary experimental tools are the diamond anvil cell (DAC) coupled with time-domain thermoreflectance (TDTR). TDTR is a precise optical method well-suited to measuring thermal conductivities and conductances at the nanoscale and across interfaces. The DAC-TDTR method yields thermal property data as a function of pressure, rather than temperature. This relatively unexplored independent variable can separate the components of thermal conductance and serve as an independent test for phonon-defect scattering models. I studied the effect of non-equilibrium thermal transport at the aluminum-coated surface of an exotic cuprate material Ca9La5Cu 24O41, which boasts a tenfold enhanced thermal conductivity along one crystalline axis where two-leg copper-oxygen spin-ladder structures carry heat in the form of thermalized magnetic excitations. Highly anisotropic materials are of interest for controlled thermal management applications, and the spin-ladder magnetic heat carriers ("magnons") are not well understood. I found that below room temperature, the apparent thermal conductivity of Ca9La5Cu24O41 depends on the frequency of the applied surface heating in TDTR. This occurs because the thermal penetration depth in the TDTR experiment is comparable to the length-scale for the equilibration of the magnons that are the dominant channel for heat conduction and the phonons that dominate the heat capacity. I applied a two-temperature model to analyze the TDTR data and extracted an effective volumetric magnon-phonon coupling parameter g for Ca9La5Cu24O 41 at temperatures from 75 K to 300 K; g varies by approximately two orders of magnitude over this range of temperature and has the value g = 1015 W m-3 K-1 near the peak of the thermal conductivity at T ≈ 180 K. To examine
Spin-flip relaxation via optical phonon scattering in quantum dots
Wang, Zi-Wu; Liu, Lei; Li, Shu-Shen
2013-12-14
Based on the spin-orbit coupling admixture mechanism, we theoretically investigate the spin-flip relaxation via optical phonon scattering in quantum dots by considering the effect of lattice relaxation due to the electron-acoustic phonon deformation potential coupling. The relaxation rate displays a cusp-like structure (or a spin hot spot) that becomes more clearly with increasing temperature. We also calculate the relaxation rate of the spin-conserving process, which follows a Gaussian form and is several orders of magnitude larger than that of spin-flip process. Moreover, we find that the relaxation rate displays the oscillatory behavior due to the interplay effects between the magnetic and spatial confinement for the spin-flip process not for the spin-conserving process. The trends of increasing and decreasing temperature dependence of the relaxation rates for two relaxation processes are obtained in the present model.
Acoustic phonons in chrysotile asbestos probed by high-resolution inelastic x-ray scattering
Mamontov, Eugene; Vakhrushev, S. B.; Kumzerov, Yu. A,; Alatas, A.
2009-01-01
Acoustic phonons in an individual, oriented fiber of chrysotile asbestos (chemical formula Mg{sub 3}Si{sub 2}O{sub 5}(OH){sub 4}) were observed at room temperature in the inelastic x-ray measurement with a very high (meV) resolution. The x-ray scattering vector was aligned along [1 0 0] direction of the reciprocal lattice, nearly parallel to the long axis of the fiber. The latter coincides with [1 0 0] direction of the direct lattice and the axes of the nano-channels. The data were analyzed using a damped harmonic oscillator model. Analysis of the phonon dispersion in the first Brillouin zone yielded the longitudinal sound velocity of (9200 {+-} 600) m/s.
NASA Astrophysics Data System (ADS)
Lü, X.; Schrottke, L.; Grahn, H. T.
2016-06-01
We present scattering rates for electrons at longitudinal optical phonons within a model completely formulated in the Fourier domain. The total intersubband scattering rates are obtained by averaging over the intrasubband electron distributions. The rates consist of the Fourier components of the electron wave functions and a contribution depending only on the intersubband energies and the intrasubband carrier distributions. The energy-dependent part can be reproduced by a rational function, which allows for the separation of the scattering rates into a dipole-like contribution, an overlap-like contribution, and a contribution which can be neglected for low and intermediate carrier densities of the initial subband. For a balance between accuracy and computation time, the number of Fourier components can be adjusted. This approach facilitates an efficient design of complex heterostructures with realistic, temperature- and carrier density-dependent rates.
Phonon scattering limited performance of monolayer MoS{sub 2} and WSe{sub 2} n-MOSFET
Sengupta, Amretashis; Chanana, Anuja; Mahapatra, Santanu
2015-02-15
In this paper we show the effect of electron-phonon scattering on the performance of monolayer (1L) MoS{sub 2} and WSe{sub 2} channel based n-MOSFETs. Electronic properties of the channel materials are evaluated using the local density approximation (LDA) in density functional theory (DFT). For phonon dispersion we employ the small displacement / frozen phonon calculations in DFT. Thereafter using the non-equilibrium Green’s function (NEGF) formalism, we study the effect of electron-phonon scattering and the contribution of various phonon modes on the performance of such devices. It is found that the performance of the WSe{sub 2} device is less impacted by phonon scattering, showing a ballisticity of 83% for 1L-WSe{sub 2} FET for channel length of 10 nm. Though 1L-MoS{sub 2} FET of similar dimension shows a lesser ballisticity of 75%. Also in the presence of scattering there exist a a 21–36% increase in the intrinsic delay time (τ) and a 10–18% reduction in peak transconductance (g{sub m}) for WSe{sub 2} and MoS{sub 2} devices respectively.
NASA Astrophysics Data System (ADS)
Principi, Alessandro; Carrega, Matteo; Lundeberg, Mark B.; Woessner, Achim; Koppens, Frank H. L.; Vignale, Giovanni; Polini, Marco
2014-10-01
Graphene sheets encapsulated between hexagonal boron nitride (hBN) slabs display superb electronic properties due to very limited scattering from extrinsic disorder sources such as Coulomb impurities and corrugations. Such samples are therefore expected to be ideal platforms for highly tunable low-loss plasmonics in a wide spectral range. In this article we present a theory of collective electron density oscillations in a graphene sheet encapsulated between two hBN semi-infinite slabs (hBN/G/hBN). Graphene plasmons hybridize with hBN optical phonons forming hybrid plasmon-phonon modes. We focus on scattering of these modes against graphene's acoustic phonons and hBN optical phonons, two sources of scattering that are expected to play a key role in hBN/G/hBN stacks. We find that at room temperature the scattering against graphene's acoustic phonons is the dominant limiting factor for hBN/G/hBN stacks, yielding theoretical inverse damping ratios of hybrid plasmon-phonon modes of the order of 50-60, with a weak dependence on carrier density and a strong dependence on illumination frequency. We confirm that the plasmon lifetime is not directly correlated with the mobility: In fact, it can be anticorrelated.
Comparing the anomalous phonons in Fe(Te,Se) and (Fe,Ni)(Te,Se) via neutron scattering
NASA Astrophysics Data System (ADS)
Schneeloch, John; Xu, Zhijun; Gu, Genda; Zaliznyak, Igor; Winn, Barry; Rodriguez-Rivera, Jose; Birgeneau, Robert; Xu, Guangyong; Tranquada, John
We studied the anomalous acoustic-type phonons in the Fe(Te,Se) iron-based superconductor family that arise from the (100) Bragg peak, which is forbidden according to the reported crystal structure for these materials. Inelastic neutron scattering was performed on superconducting and non-superconducting crystals of various compositions. The (100) phonons were much weaker in a non-superconducting nickel-doped crystal than in a superconducting crystal with similar selenium fraction, but comparison with another non-superconducting crystal suggests the difference is not simply related to superconductivity. This composition dependence was observed for both transverse and longitudinal phonons. The temperature dependences of the (100) phonons resembled those of conventional phonons. We will discuss these results and possible explanations for the relation between composition and lattice dynamics in this system.
Neutron inelastic scattering measurements of low-energy phonons in the multiferroic BiFeO_{3}
Schneeloch, John A.; Xu, Zhijun; Wen, Jinsheng; Gehring, P. M.; Stock, C.; Matsuda, Masaaki; Winn, Barry L.; Gu, Genda; Shapiro, Stephen M.; Birgeneau, R. J.; Ushiyama, T.; Yanagisawa, Y.; Tomioka, Y.; Ito, T.; Xu, Guangyong
2015-02-10
In this study, we present neutron inelastic scattering measurements of the low-energy phonons in single crystal BiFeO_{3}. The dispersions of the three acoustic phonon modes (LA along [100], TA_{1} along [010], and TA_{2} along [110]) and two low-energy optic phonon modes (LO and TO_{1}) have been mapped out between 300 and 700 K. Elastic constants are extracted from the phonon measurements. The energy linewidths of both TA phonons at the zone boundary clearly broaden when the system is warmed toward the magnetic ordering temperature T_{N}=640 K. In conclusion, this suggests that the magnetic order and low-energy lattice dynamics in this multiferroic material are coupled.
Neutron inelastic scattering measurements of low-energy phonons in the multiferroic BiFeO3
Schneeloch, John A.; Xu, Zhijun; Wen, Jinsheng; Gehring, P. M.; Stock, C.; Matsuda, Masaaki; Winn, Barry L.; Gu, Genda; Shapiro, Stephen M.; Birgeneau, R. J.; et al
2015-02-10
In this study, we present neutron inelastic scattering measurements of the low-energy phonons in single crystal BiFeO3. The dispersions of the three acoustic phonon modes (LA along [100], TA1 along [010], and TA2 along [110]) and two low-energy optic phonon modes (LO and TO1) have been mapped out between 300 and 700 K. Elastic constants are extracted from the phonon measurements. The energy linewidths of both TA phonons at the zone boundary clearly broaden when the system is warmed toward the magnetic ordering temperature TN=640 K. In conclusion, this suggests that the magnetic order and low-energy lattice dynamics in thismore » multiferroic material are coupled.« less
Li, Chen; Ma, Jie; May, Andrew F; Cao, Huibo; Christianson, Andrew D; Ehlers, Georg; Singh, David J; Sales, Brian C; Delaire, Olivier A
2014-01-01
The anharmonic lattice dynamics of rock-salt thermoelectric compounds SnTe and PbTe are investigated with inelastic neutron scattering (INS) and first-principles calculations. The experiments show that, surprisingly, although SnTe is closer to the ferroelectric instability, phonon spectra in PbTe exhibit a more anharmonic character. This behavior is reproduced in first-principles calculations of the temperature-dependent phonon self-energy. Our simulations reveal how the nesting of phonon dispersions induces prominent features in the self-energy, which account for the measured INS spectra and their temperature dependence. We establish that the phase-space for three-phonon scattering processes, rather than just the proximity to the lattice instability, is the mechanism determining the complex spectrum of the transverse-optical ferroelectric mode.
Role of triple phonon excitations in large angle quasi-elastic scattering of very heavy mass systems
NASA Astrophysics Data System (ADS)
Zamrun, Muhammad Firihu
2016-07-01
We study the effect of multi-phonon excitations on large-angle quasi-elastic scattering of massive systems using the full order coupled-channels formalism. We especially investigate the role of triple phonon excitations of the target and projectile nuclei on the quasi-elastic scattering cross-section as well as the barrier distribution for 54Cr, 56Fe, 64Ni and 70Zn + 208Pb systems. It is shown that the calculations taken into account, the triple octupole phonon excitations of the target and triple quadrupole phonon excitations of the projectile for these systems can explain the experimental data of the quasi-elastic cross-section and the quasi-elastic barrier distribution. These results indicate that the coupled-channels formalism is still valid even for the very heavy mass systems.
One-phonon and multiphonon processes in atom-surface scattering
NASA Astrophysics Data System (ADS)
Celli, V.; Himes, D.; Bortolani, V.; Santoro, G.; Toennies, J. P.; Zhang, G.
1991-02-01
We show that previously unexplained features in the TOF spectra of He and Ne scattered from solid surfaces can be attributed to multiphonon processes. We find that a simple Gaussian distribution, obtained by Brako and Newns within the trajectory approximation, accounts rather well for these features. The average energy transfer appearing in this distribution is evaluated by the Baule formula. We obtain an interpolation formula that describes both multiphonon and one-phonon processes, and is consistent with the Distorted Wave Born Approximation for the latter.
Low-temperature lattice-scattering mobility in multiple heterojunctions: Phonon-drag enhancement
Lyo, S.K. )
1991-01-15
The temperature dependence of the low-temperature lattice-scattering mobility (LSM) of a heterojunction as well as a multiple-heterojunction structure is obtained. We show that the LSM of a multiple-heterojunction structure can be significantly enhanced as compared to that of a single heterojunction due to the phonon-drag effect. The high-temperature approximation employed for the LSM in the current literature is found to underestimate significantly the LSM as well as the deformation-potential coefficient.
Density of phonon states in solid parahydrogen from inelastic neutron scattering
NASA Astrophysics Data System (ADS)
Colognesi, D.; Celli, M.; Zoppi, M.
2004-03-01
We have measured the inelastic neutron scattering spectrum of solid parahydrogen (at low pressure and T=13.3 K) using the thermal original spectrometer with cylindrical analyzers spectrometer at the ISIS pulsed neutron source (UK). From the experimental spectrum we have obtained the parahydrogen density of phonon states which has been compared with the estimates available in the literature. The present determination improves substantially the previous experimental scenario from the point of view of both statistics and accuracy. The comparison with the most recent estimate obtained from a quantum mechanical simulation of the molecular dynamics calls for an improvement of the computational methods.
Gutmann, Matthias J.; Graziano, Gabriella; Mukhopadhyay, Sanghamitra; Refson, Keith; von Zimmerman, Martin
2015-01-01
Direct phonon excitation in a neutron time-of-flight single-crystal Laue diffraction experiment has been observed in a single crystal of NaCl. At room temperature both phonon emission and excitation leave characteristic features in the diffuse scattering and these are well reproduced using ab initio phonons from density functional theory (DFT). A measurement at 20 K illustrates the effect of thermal population of the phonons, leaving the features corresponding to phonon excitation and strongly suppressing the phonon annihilation. A recipe is given to compute these effects combining DFT results with the geometry of the neutron experiment. PMID:26306090
Mei, A. B.; Hellman, O.; Schlepuetz, C. M.; Rockett, A.; Chiang, T. -C.; Hultman, L.; Petrov, I.; Greene, J. E.
2015-11-03
Synchrotron reflection x-ray thermal diffuse scattering (TDS) measurements, rather than previously reported transmission TDS, are carried out at room temperature and analyzed using a formalism based upon second-order interatomic force constants and long-range Coulomb interactions to obtain quantitative determinations of MgO phonon dispersion relations (h) over bar omega(j) (q), phonon densities of states g((h) over bar omega), and isochoric temperature-dependent vibrational heat capacities cv (T). We use MgO as a model system for investigating reflection TDS due to its harmonic behavior as well as its mechanical and dynamic stability. Resulting phonon dispersion relations and densities of states are found tomore » be in good agreement with independent reports from inelastic neutron and x-ray scattering experiments. Temperature-dependent isochoric heat capacities cv (T), computed within the harmonic approximation from (h) over bar omega(j) (q) values, increase with temperature from 0.4 x 10-4 eV/atom K at 100 K to 1.4 x 10-4 eV/atom K at 200 K and 1.9 x 10-4 eV/atom K at 300 K, in excellent agreement with isobaric heat capacity values cp (T) between 4 and 300 K. We anticipate that the experimental approach developed here will be valuable for determining vibrational properties of heteroepitaxial thin films since the use of grazing-incidence (θ ≲ θc where θc is the density-dependent critical angle) allows selective tuning of x-ray penetration depths to ≲ 10 nm.« less
NASA Astrophysics Data System (ADS)
Mei, A. B.; Hellman, O.; Schlepütz, C. M.; Rockett, A.; Chiang, T.-C.; Hultman, L.; Petrov, I.; Greene, J. E.
2015-11-01
Synchrotron reflection x-ray thermal diffuse scattering (TDS) measurements, rather than previously reported transmission TDS, are carried out at room temperature and analyzed using a formalism based upon second-order interatomic force constants and long-range Coulomb interactions to obtain quantitative determinations of MgO phonon dispersion relations ℏ ωj (q), phonon densities of states g (ℏ ω ), and isochoric temperature-dependent vibrational heat capacities cv(T ) . We use MgO as a model system for investigating reflection TDS due to its harmonic behavior as well as its mechanical and dynamic stability. Resulting phonon dispersion relations and densities of states are found to be in good agreement with independent reports from inelastic neutron and x-ray scattering experiments. Temperature-dependent isochoric heat capacities cv(T ) , computed within the harmonic approximation from ℏ ωj (q) values, increase with temperature from 0.4 ×10-4eV /atom K at 100 K to 1.4 ×10-4eV /atom K at 200 K and 1.9 ×10-4eV /atom K at 300 K, in excellent agreement with isobaric heat capacity values cp(T ) between 4 and 300 K. We anticipate that the experimental approach developed here will be valuable for determining vibrational properties of heteroepitaxial thin films since the use of grazing-incidence (θ ≲θc , where θc is the density-dependent critical angle) allows selective tuning of x-ray penetration depths to ≲10 nm .
Mei, A. B.; Hellman, O.; Schlepuetz, C. M.; Rockett, A.; Chiang, T. -C.; Hultman, L.; Petrov, I.; Greene, J. E.
2015-11-03
Synchrotron reflection x-ray thermal diffuse scattering (TDS) measurements, rather than previously reported transmission TDS, are carried out at room temperature and analyzed using a formalism based upon second-order interatomic force constants and long-range Coulomb interactions to obtain quantitative determinations of MgO phonon dispersion relations (h) over bar omega(j) (q), phonon densities of states g((h) over bar omega), and isochoric temperature-dependent vibrational heat capacities c_{v} (T). We use MgO as a model system for investigating reflection TDS due to its harmonic behavior as well as its mechanical and dynamic stability. Resulting phonon dispersion relations and densities of states are found to be in good agreement with independent reports from inelastic neutron and x-ray scattering experiments. Temperature-dependent isochoric heat capacities c_{v} (T), computed within the harmonic approximation from (h) over bar omega(j) (q) values, increase with temperature from 0.4 x 10^{-4} eV/atom K at 100 K to 1.4 x 10^{-4} eV/atom K at 200 K and 1.9 x 10^{-4} eV/atom K at 300 K, in excellent agreement with isobaric heat capacity values c_{p} (T) between 4 and 300 K. We anticipate that the experimental approach developed here will be valuable for determining vibrational properties of heteroepitaxial thin films since the use of grazing-incidence (θ ≲ θ_{c} where θ_{c} is the density-dependent critical angle) allows selective tuning of x-ray penetration depths to ≲ 10 nm.
Bulk phonon scattering in perturbed quasi-3D multichannel crystallographic waveguide.
Rabia, M S
2008-11-19
In the present paper, we concentrate on the influence of local defects on scattering properties of elastic waves in perturbed crystalline quasi-three-dimensional nanostructures in the harmonic approximation. Our model consists of three infinite atomic planes, assimilated into a perfect waveguide in which different distributions of scatterers (or defects) are inserted in the bulk. We have investigated phonon transmission and conductance for three bulk defect configurations. The numerical treatment of the problem, based on the Landauer approach, resorts to the matching method initially employed for the study of surface localized phonons and resonances. We present a detailed study of the defect-induced fluctuations in the transmission spectra. These fluctuations can be related to Fano resonances and Fabry-Pérot oscillations. The first is due to the coupling between localized defect states and the perfect waveguide propagating modes whereas the latter results from the interference between incidental and reflected waves. Numerical results reveal the intimate relation between transmission spectra and localized impurity states and provide a basis for the understanding of conductance spectroscopy experiments in disordered mesoscopic systems. PMID:21693856
Khazanov, E. N. Taranov, A. V.; Gainutdinov, R. V.; Akchurin, M. Sh.; Basiev, T. T.; Konyushkin, V. A.; Fedorov, P. P.; Kuznetsov, S. V.; Osiko, V. V.
2010-06-15
The methods of optical, electron, and atomic force microscopy (AFM) are applied to the study of the real structure of optical lithium fluoride ceramic obtained by hot deformation of single crystals. A comparative analysis is carried out of the scattering mechanisms of weakly nonequilibrium thermal phonons at liquid helium temperatures in LiF single crystals and ceramics. It is demonstrated that the phonon scattering in the original single crystals is determined by the forced vibrations of dislocations in the stress field of an elastic plane wave (a phonon), i.e., by the flutter mechanism. As the degree of deformation of the original material increases, the ceramics exhibit a change in the plastic deformation mechanisms, which leads to a decrease in the average size of grains and to an ordered structure. In this case, the dominant scattering is that by intergrain boundaries. The thickness and the acoustic impedance of these boundaries are evaluated.
NASA Astrophysics Data System (ADS)
Tretiak, Sergei
2014-03-01
The exciton scattering (ES) technique is a multiscale approach developed for efficient calculations of excited-state electronic structure and optical spectra in low-dimensional conjugated macromolecules. Within the ES method, the electronic excitations in the molecular structure are attributed to standing waves representing quantum quasi-particles (excitons), which reside on the graph. The exciton propagation on the linear segments is characterized by the exciton dispersion, whereas the exciton scattering on the branching centers is determined by the energy-dependent scattering matrices. Using these ES energetic parameters, the excitation energies are then found by solving a set of generalized ``particle in a box'' problems on the graph that represents the molecule. All parameters can be extracted from quantum-chemical computations of small molecular fragments and tabulated in the ES library for further applications. Subsequently, spectroscopic modeling for any macrostructure within considered molecular family could be performed with negligible numerical effort. The exciton scattering properties of molecular vertices can be further described by tight-binding or equivalently lattice models. The on-site energies and hopping constants are obtained from the exciton dispersion and scattering matrices. Such tight-binding model approach is particularly useful to describe the exciton-phonon coupling, energetic disorder and incoherent energy transfer in large branched conjugated molecules. Overall the ES applications accurately reproduce the optical spectra compared to the reference quantum chemistry results, and make possible to predict spectra of complex macromolecules, where conventional electronic structure calculations are unfeasible.
NASA Astrophysics Data System (ADS)
Shcherbakov, Alexandre S.; Arellanes, Adan Omar
2016-03-01
We study the potentials of a wide-aperture crystalline calomel-made acousto-optical cell. Characterizing this cell is nontrivial due to the chosen regime based on an advanced noncollinear two-phonon light scattering. Recently revealed important features of this phenomenon are essentially exploited in the cell and are investigated in more detail. These features can be observed more easily and simply in tetragonal crystals, e.g., calomel, exhibiting specific acousto-optical nonlinearity caused by the acoustic waves of finite amplitude. This parametric nonlinearity manifests itself at low acoustic powers in calomel possessing linear acoustic attenuation. The formerly identified additional degree of freedom, unique to this regime, is exploited for designing the cell with an eye to doubling the resolution due to two-phonon processes. We clarify the role of varying the central acoustic frequency and acoustic attenuation using that degree of freedom. Then the efficiency of calomel is exploited to expand the cell's bandwidth with a cost of its efficiency. Proof-of-principle experiments confirm the developed approaches and illustrate their applicability to innovative techniques of optical spectrum analysis with the improved resolution. The achieved spectral resolution of 0.205 Å at 405 nm and the resolving power 19,800 are the best for acousto-optical spectrometers dedicated to space or airborne operations to date as far as we know.
Anharmonicity in light scattering by optical phonons in GaAs1-xBix
NASA Astrophysics Data System (ADS)
Joshya, R. S.; Rajaji, V.; Narayana, Chandrabhas; Mascarenhas, A.; Kini, R. N.
2016-05-01
We present a Raman spectroscopic study of GaAs1-xBix epilayers grown by molecular beam epitaxy. We have investigated the anharmonic effect on the GaAs-like longitudinal optical phonon mode ( LOGaAs' ) of GaAs1-xBix for different Bi concentrations at various temperatures. The results are analyzed in terms of the anharmonic damping effect induced by thermal and compositional disorder. We have observed that the anharmonicity increases with Bi concentration in GaAs1-xBix as evident from the increase in the anharmonicity constants. In addition, the anharmonic lifetime of the optical phonon decreases with increasing Bi concentration in GaAs1-xBix.
Dhital, Chetan; Abernathy, Douglas L; Zhu, Gaohua; Ren, Zhifeng; Broido, D.; Wilson, Stephen D
2012-01-01
Inelastic neutron scattering measurements are utilized to explore relative changes in the generalized phonon density of states of nanocrystalline Si1 xGex thermoelectric materials prepared via ball-milling and hot-pressing techniques. Dynamic signatures of Ge clustering can be inferred from the data by referencing the resulting spectra to a density functional theoretical model assuming homogeneous alloying via the virtual-crystal approximation. Comparisons are also presented between as-milled Si nanopowder and bulk, polycrystalline Si where a preferential low-energy enhancement and lifetime broadening of the phonon density of states appear in the nanopowder. Negligible differences are however observed between the phonon spectra of bulk Si andhot-pressed, nanostructured Si samples suggesting that changes to the single-phonon dynamics above 4 meV play only a secondary role in the modified heat conduction of this compound.
Ozawa, Masakuni; Suzuki, Suguru; Loong, C.K.; Nipko, J.C.
1996-12-31
Inelastic neutron scattering was used to study the phonon densities of states of zirconia nanoparticles, the O-H stretch vibrations of physisorbed water molecules, and chemisorbed hydroxyl groups on the surface. Raman scattering was also used to measure the zone-center phonon modes. The observed distinct phonon frequencies and band widths at 10-120 meV reflect the different crystalline symmetries and compositional fluctuations in the small grain and interfacial regions of monoclinic ZrO{sub 2}, tetragonal or mixed cubic and tetragonal rare-earth-modified zirconia. The dynamics of water and hydroxyl groups on varying local structures of these zirconias result in the different frequencies of the O-H stretch vibrations at 400-600 meV.
Raman scattering by confined optical phonons in Si and Ge nanostructures.
Alfaro, Pedro; Cisneros, Rodolfo; Bizarro, Monserrat; Cruz-Irisson, Miguel; Wang, Chumin
2011-03-01
A microscopic theory of the Raman scattering based on the local bond-polarizability model is presented and applied to the analysis of phonon confinement in porous silicon and porous germanium, as well as nanowire structures. Within the linear response approximation, the Raman shift intensity is calculated by means of the displacement-displacement Green's function and the Born model, including central and non-central interatomic forces. For the porous case, the supercell method is used and ordered pores are produced by removing columns of Si or Ge atoms from their crystalline structures. This microscopic theory predicts a remarkable shift of the highest-frequency of first-order Raman peaks towards lower energies, in comparison with the crystalline case. This shift is discussed within the quantum confinement framework and quantitatively compared with the experimental results obtained from porous silicon samples, which were produced by anodizing p--type (001)-oriented crystalline Si wafers in a hydrofluoric acid bath. PMID:21270988
NASA Astrophysics Data System (ADS)
Qing, Lan; Dery, Hanan; Li, Jing; Appelbaum, Ian
2012-02-01
We derive a simple approximate expression of the spin lifetime of drifting electrons in silicon. This expression agrees well with elaborate Monte Carlo simulations of the charge transport and spin relaxation of conduction electrons heated by the electric field. Already at low temperatures, the drifting electrons become hot enough to undergo f-processes (scattering between valleys of different crystal axes following emission of a shortwave phonon). Such a process involves a direct coupling of valence and conduction bands and dominates the spin relaxation. A sharp decrease of spin lifetime can then be expected in intermediate electric fields in between ˜100 V/cm and ˜1 kV/cm. When electrons are transported between a spin injector and a spin-resolved detector, the decrease of both transit time and spin lifetime results in a non-monotonic behavior of the detected spin polarization with the electric field. The theory shows excellent agreement with empirical results.
NASA Technical Reports Server (NTRS)
Hu, Qing (Inventor); Williams, Benjamin S. (Inventor)
2007-01-01
The present invention provides quantum cascade lasers and amplifier that operate in a frequency range of about 1 Terahertz to about 10 Terahertz. In one aspect, a quantum cascade laser of the invention includes a semiconductor heterostructure that provides a plurality of lasing modules connected in series. Each lasing module includes a plurality of quantum well structure that collectively generate at least an upper lasing state, a lower lasing state, and a relaxation state such that the upper and the lower lasing states are separated by an energy corresponding to an optical frequency in a range of about 1 to about 10 Terahertz. The lower lasing state is selectively depopulated via resonant LO-phonon scattering of electrons into the relaxation state.
NASA Technical Reports Server (NTRS)
Hu, Qing (Inventor); Williams, Benjamin S. (Inventor)
2009-01-01
The present invention provides quantum cascade lasers and amplifier that operate in a frequency range of about 1 Terahertz to about 10 Terahertz. In one aspect, a quantum cascade laser of the invention includes a semiconductor heterostructure that provides a plurality of lasing modules connected in series. Each lasing module includes a plurality of quantum well structure that collectively generate at least an upper lasing state, a lower lasing state, and a relaxation state such that the upper and the lower lasing states are separated by an energy corresponding to an optical frequency in a range of about 1 to about 10 Terahertz. The lower lasing state is selectively depopulated via resonant LO-phonon scattering of electrons into the relaxation state.
Carrier scattering processes and low energy phonon spectroscopy in hybrid perovskites crystals
NASA Astrophysics Data System (ADS)
Even, Jacky; Paofai, Serge; Bourges, Philippe; Letoublon, Antoine; Cordier, Stéphane; Durand, Olivier; Katan, Claudine
2016-03-01
Despite the wealth of research conducted the last three years on hybrid organic perovskites (HOP), several questions remain open including: to what extend the organic moiety changes the properties of the material as compared to allinorganic (AIP) related perovskite structures. To ultimately reach an answer to this question, we have recently introduced two approaches that were designed to take the stochastic molecular degrees of freedom into account, and suggested that the high temperature cubic phase of HOP and AIP is an appropriate reference phase to rationalize HOP's properties. In this paper, we recall the main concepts and discuss more specifically the various possible couplings between charge carriers and low energy excitations such as acoustic and optical phonons. As available experimental or simulated data on low energy excitations are limited, we also present preliminary neutron scattering and ultrasonic measurements obtained and freshly prepared single crystals of CH3NH3PbBr3.
NASA Astrophysics Data System (ADS)
Donovan, Brian F.; Sachet, Edward; Maria, Jon-Paul; Hopkins, Patrick E.
2016-01-01
Understanding the impact and complex interaction of thermal carrier scattering centers in functional oxide systems is critical to their progress and application. In this work, we study the interplay among electron and phonon thermal transport, mass-impurity scattering, and phonon-vacancy interactions on the thermal conductivity of cadmium oxide. We use time domain thermoreflectance to measure the thermal conductivity of a set of CdO thin films doped with Dy up to the saturation limit. Using measurements at room temperature and 80 K, our results suggest that the enhancement in thermal conductivity at low Dy concentrations is dominated by an increase in the electron mobility due to a decrease in oxygen vacancy concentration. Furthermore, we find that at intermediate doping concentrations, the subsequent decrease in thermal conductivity can be ascribed to a large reduction in phononic thermal transport due to both point defect and cation-vacancy scattering. With these results, we gain insight into the complex dynamics driving phonon scattering and resulting thermal transport in functional oxides.
NASA Astrophysics Data System (ADS)
Crepaldi, A.; Cilento, F.; Ressel, B.; Cacho, C.; Johannsen, J. C.; Zacchigna, M.; Berger, H.; Bugnon, Ph.; Grazioli, C.; Turcu, I. C. E.; Springate, E.; Kern, K.; Grioni, M.; Parmigiani, F.
2013-09-01
The nature of the Dirac quasiparticles in topological insulators calls for a direct investigation of the electron-phonon scattering at the surface. By comparing time-resolved ARPES measurements of the topological insulator Bi2Se3 with different probing depths, we show that the relaxation dynamics of the electronic temperature of the conduction band is much slower at the surface than in the bulk. This observation suggests that surface phonons are less effective in cooling the electron gas in the conduction band.
Surface defects characterization in a quantum wire by coherent phonons scattering
Rabia, M. S.
2015-03-30
The influence of surface defects on the scattering properties of elastic waves in a quasi-planar crystallographic waveguide is studied in the harmonic approximation using the matching method formalism. The structural model is based on three infinite atomic chains forming a perfect lattice surmounted by an atomic surface defect. Following the Landauer approach, we solve directly the Newton dynamical equation with scattering boundary conditions and taking into account the next nearest neighbour’s interaction. A detailed study of the defect-induced fluctuations in the transmission spectra is presented for different adatom masses. As in the electronic case, the presence of localized defect-induced states leads to Fano-like resonances. In the language of mechanical vibrations, these are called continuum resonances. Numerical results reveal the intimate relation between transmission spectra and localized defect states and provide a basis for the understanding of conductance spectroscopy experiments in disordered mesoscopic systems. The results could be useful for the design of phononic devices.
The phonon density of states of (alpha) and (delta)-Plutonium by inelastic x-ray scattering
Manley, M E; Said, A; Fluss, M J; Wall, M; Lashley, J C; Alatas, A; Moore, K T
2008-10-08
Inelastic x-ray scattering measurements of the phonon density of states (DOS) were performed on polycrystalline samples of pure {alpha}-Pu and {delta}-Pu{sub 0.98}Ga{sub 0.02} at room temperature. The heat capacity of {alpha}-Pu is well reproduced by contributions calculated from the measured phonon DOS plus conventional thermal expansion and electronic contributions, showing that {alpha}-Pu is a 'well-behaved' metal in this regard. A comparison of the phonon DOS of the two phases at room temperature surprised us in that the vibrational entropy difference between them is only a quarter of the total entropy difference expected from known thermodynamic measurements. The missing entropy is too large to be accounted for by conventional electronic entropy and evidence from the literature rules out a contribution from spin fluctuations. Possible alternative sources for the missing entropy are discussed.
Phonon softening near the structural transition in BaFe2As2 observed by inelastic x-ray scattering
Niedziela, Jennifer L; Parshall, D; Lokshin, Konstantin A; Safa-Sefat, Athena; Alatas, A; Egami, Takeshi
2011-01-01
In this work we present the results of an inelastic x-ray scattering experiment detailing the behavior of the transverse acoustic [110] phonon in BaFe{sub 2}As{sub 2} as a function of temperature. When cooling through the structural transition temperature, the transverse acoustic phonon energy is reduced from the value at room temperature, reaching a maximum shift near inelastic momentum transfer q = 0.1. This softening of the lattice results in a change of the symmetry from tetragonal to orthorhombic at the same temperature as the transition to long-range antiferromagnetic order. While the lattice distortion is minor, the anisotropy in the magnetic exchange constants in pnictide parent compounds is large. We suggest mechanisms of electron-phonon coupling to describe the interaction between the lattice softening and the onset of magnetic ordering.
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)
Sääskilahti, K.; Oksanen, J.; Tulkki, J.; Volz, S.
2014-10-01
A detailed understanding of the vibrational heat transfer mechanisms between solids is essential for the efficient thermal engineering and control of nanomaterials. We investigate the frequency dependence of anharmonic scattering and interfacial thermal conduction between two acoustically mismatched solids in planar contact by calculating the spectral decomposition of the heat current flowing through an interface between two materials. The calculations are based on analyzing the correlations of atomic vibrations using the data extracted from nonequilibrium molecular dynamics simulations. Inelastic effects arising from anharmonic interactions are shown to significantly facilitate heat transfer between two mass-mismatched face-centered-cubic lattices even at frequencies exceeding the cutoff frequency of the heavier material due to (i) enhanced dissipation of evanescent vibrational modes and (ii) frequency-doubling and frequency-halving three-phonon energy transfer processes at the interface. The results provide substantial insight into interfacial energy transfer mechanisms, especially at high temperatures, where inelastic effects become important and other computational methods are ineffective.
Discrete states and carrier-phonon scattering in quantum dot population dynamics
Man, Minh Tan; Lee, Hong Seok
2015-01-01
The influence of the growth conditions of multilayer CdTe/ZnTe quantum dots (QDs) on Si substrate upon their carrier dynamics is studied using intensity integration and broadening photoluminescence. The unusual temperature dependence of the line broadening is explained using a model for interband transitions that involves a lowest discrete electronic state (1Se) with different discrete hole states (1S3/2 and 2S3/2) and a 1P transition. These transitions are expected to play a critical role in both the thermally activated energy and the line broadening of the QDs. We also demonstrate that a thermally activated transition between two different states occurs with band low-temperature quenching, with values separated by 5.8–16 meV. The main nonradiative process is thermal escape assisted by carrier scattering via emission of longitudinal phonons through the hole states at high temperature, with an average energy of 19.3–20.2 meV. PMID:25652600
Jarlov, C; Wodey, É; Lyasota, A; Calic, M; Gallo, P; Dwir, B; Rudra, A; Kapon, E
2016-08-12
Using site-controlled semiconductor quantum dots (QDs) free of multiexcitonic continuum states, integrated with photonic crystal membrane cavities, we clarify the effects of pure dephasing and phonon scattering on exciton-cavity coupling in the weak-coupling regime. In particular, the observed QD-cavity copolarization and cavity mode feeding versus QD-cavity detuning are explained quantitatively by a model of a two-level system embedded in a solid-state environment. PMID:27563983
NASA Astrophysics Data System (ADS)
Jarlov, C.; Wodey, É.; Lyasota, A.; Calic, M.; Gallo, P.; Dwir, B.; Rudra, A.; Kapon, E.
2016-08-01
Using site-controlled semiconductor quantum dots (QDs) free of multiexcitonic continuum states, integrated with photonic crystal membrane cavities, we clarify the effects of pure dephasing and phonon scattering on exciton-cavity coupling in the weak-coupling regime. In particular, the observed QD-cavity copolarization and cavity mode feeding versus QD-cavity detuning are explained quantitatively by a model of a two-level system embedded in a solid-state environment.
Effect of extended strain fields on point defect phonon scattering in thermoelectric materials.
Ortiz, Brenden R; Peng, Haowei; Lopez, Armando; Parilla, Philip A; Lany, Stephan; Toberer, Eric S
2015-07-15
The design of thermoelectric materials often involves the integration of point defects (alloying) as a route to reduce the lattice thermal conductivity. Classically, the point defect scattering strength follows from simple considerations such as mass contrast and the presence of induced strain fields (e.g. radius contrast, coordination changes). While the mass contrast can be easily calculated, the associated strain fields induced by defect chemistry are not readily predicted and are poorly understood. In this work, we use classical and first principles calculations to provide insight into the strain field component of phonon scattering from isoelectronic point defects. Our results also integrate experimental measurements on bulk samples of SnSe and associated alloys with S, Te, Ge, Sr and Ba. These efforts highlight that the strength and extent of the resulting strain field depends strongly on defect chemistry. Strain fields can have a profound impact on the local structure. For example, in alloys containing Ba, the strain fields have significant spatial extent (1 nm in diameter) and produce large shifts in the atomic equilibrium positions (up to 0.5 Å). Such chemical complexity suggests that computational assessment of point defects for thermal conductivity depression should be hindered. However, in this work, we present and verify several computational descriptors that correlate well with the experimentally measured strain fields. Furthermore, these descriptors are conceptually transparent and computationally inexpensive, allowing computation to provide a pivotal role in the screening of effective alloys. The further development of point defect engineering could complement or replace nanostructuring when optimizing the thermal conductivity, offering the benefits of thermodynamic stability, and providing more clearly defined defect chemistry. PMID:26145414
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)
Basak, Tista; Rao, Mala N.; Chaplot, S. L.; Salke, Nilesh; Rao, Rekha; Dhanasekaran, R.; Rajarajan, A. K.; Rols, S.; Mittal, R.; Jayakrishnan, V. B.; Sastry, P. U.
2014-01-01
Inelastic neutron scattering, Raman and X-ray diffraction measurements coupled with lattice dynamical calculations (employing a semi-empirical transferable potential model) have been carried out to gain a detailed understanding of the peculiar vibrational spectrum exhibited by the mixed crystal ZnS1-xSex. Raman scattering measurements performed over a varying range of temperature (100-800 K) and pressure (up to 13 GPa) have confirmed that the additional mode observed in the spectra are visible over the entire range of temperature and pressure. Correlation of the individual motions of atoms (obtained from computed total and partial phonon density of states) with the inelastic neutron scattering measurements (carried out over the entire Brillouin zone) have then indicated that the existence of the additional mode in ZnS1-xSex is due to the vibrations of the Se atom being in resonance with that of the S atom. Further, it has been shown that the presence of this additional mode can be tuned by varying the mass of the atom at the Se site. In addition, an analysis of bond-length distribution with increasing Se concentration have elucidated that bond-length spread is not responsible for the presence of the additional mode. An analysis of the peak shifts of the Raman modes with temperature and pressure indicate that the anharmonicity of the vibrational modes increases with increasing compositional disorder. This is attributed to the fact that increasing Se concentration gives rise to a distribution of bond-lengths in ZnS1-xSex, which is responsible for this compositional disorder induced anharmonicity. Our computations have thus revealed that mass of the anion is responsible for the presence of additional mode while bond-length distribution gives rise to the existence of compositional disorder induced anharmonicity in ZnS1-xSex. Further, it is observed that the contribution of explicit anharmonicity to the total anharmonicity becomes dominant at higher temperatures. This
NASA Astrophysics Data System (ADS)
Nag Chowdhury, Basudev; Chattopadhyay, Sanatan
2016-09-01
In the current work, the impact of electron-phonon scattering phenomena on the transport behaviour of silicon nanowire field-effect-transistors with sub-mean free path channel length has been investigated by developing a theoretical model that incorporates the responses of carrier effective mass mismatch between the channel and source/drain. For this purpose, a set of relevant quantum field equations has been solved by non-equilibrium Green's function formalism. The obtained device current for a particular set of biases is found to decrease due to phonon scattering below a certain doping level of source/drain, above which it is observed to enhance anomalously. Analyses of the quantified scattering lifetime and power dissipation at various confinement modes of the device indicates that such unusual enhancement of current is originated from the power served by phonons instead of associated decay processes. The power generation has been observed to improve by using high-k materials as gate insulator. Such results may contribute significantly to the future nano-electronic applications for energy harvesting.
Nakayama, Masaaki Ohno, Tatsuya; Furukawa, Yoshiaki
2015-04-07
We have systematically investigated the photoluminescence (PL) dynamics of free excitons in GaAs/Al{sub 0.3}Ga{sub 0.7}As single quantum wells, focusing on the energy relaxation process due to exciton–acoustic-phonon scattering under non-resonant and weak excitation conditions as a function of GaAs-layer thickness from 3.6 to 12.0 nm and temperature from 30 to 50 K. The free exciton characteristics were confirmed by observation that the PL decay time has a linear dependence with temperature. We found that the free exciton PL rise rate, which is the reciprocal of the rise time, is inversely linear with the GaAs-layer thickness and linear with temperature. This is consistent with a reported theoretical study of the exciton–acoustic-phonon scattering rate in the energy relaxation process in quantum wells. Consequently, it is conclusively verified that the PL rise rate is dominated by the exciton–acoustic-phonon scattering rate. In addition, from quantitative analysis of the GaAs-layer thickness and temperature dependences, we suggest that the PL rise rate reflects the number of exciton–acoustic-phonon scattering events.
NASA Astrophysics Data System (ADS)
Greenstein, Abraham; Hudiono, Yeny; Graham, Samuel; Nair, Sankar
2010-03-01
We present a systematic study to investigate the effects of nonframework cations and the role of phonon scattering mechanisms on the thermal transport properties of zeolite LTA, via experiment and semiempirical lattice dynamics calculations. Our study is motivated by the increasing interest in accurate measurements and mechanistic understanding of the thermal transport properties of zeolite materials. The presence of a nanostructured pore network, extra-framework cations, and tunable framework structure and composition confer interesting thermophysical properties to these materials, making them a good model system to investigate thermal transport in complex materials. Continuous films of zeolite LTA with different nonframework cations (Na+, K+, and Ca+2) were synthesized and characterized. The thermal conductivity was measured using the three-omega method over a wide range of temperature (150-450 K). These are the first thermal conductivity measurements performed on bulk LTA, so they are more accurate than previous measurements, which involved the use of compacted zeolite powders. Our data showed significant dependence of the thermal conductivity on the extra-framework cations as well the temperature. The thermal conductivities of the zeolite LTA samples were modeled with the relaxation time approximation to the Boltzmann transport equation. The full phonon spectra for each type of LTA zeolite were calculated and used in conjunction with semiempirical relaxation time expressions to calculate the thermal conductivity. The results both validated, and suggested the limitations of, this modeling approach. Optical phonons dominated the thermal conductivity and boundarylike scattering was found to be the strongest phonon scattering mechanism, as also observed in MFI zeolite.
NASA Astrophysics Data System (ADS)
Branlund, J. M.; Hofmeister, A.; Dong, J.
2013-12-01
Over the course of several years, we have measured heat transport to high temperatures for a large number (ca. 200) of minerals, rocks, glasses and melts using laser flash analysis which eliminates systematic errors (contact losses and boundary-to-boundary radiative transfer gains) that limit utility of conventional, contact techniques. The database is large enough to elucidate patterns. For most samples and particularly for our >60 non-metallic, large single-crystals, >30 glasses and >12 polycrystals, we show that thermal diffusivity is consistently represented by D(T) =F/T ^G + HT, permitting confident extrapolation from conditions in the laboratory to those in the mantle. The two distinct temperature terms describing D(T) suggest that two microscopic mechanisms of conduction exist in the electrical insulators explored. We propose that phonon scattering (the F/T^G term) sums with radiative diffusion of infrared (IR) light in the form of polaritons (the HT term). Speeds near that of sound over unit cell scale lengths exist for the polariton mechanism due to phonon-photon coupling, thereby distinguishing this proposed mechanism from high frequency diffusive radiative transfer which travels near the speed of light, and only is important following transient heating. For 63 single-crystals and many glasses unaffected by disordering or reconstructive phase transitions, G ranges from 0.3 to 2, depending on structure, and H is ~0.0001/ K, and so HT crosses F/T^G by ~1300 K (for most oxides), meaning that radiative diffusion of IR light is more important than phonon scattering inside the Earth. Importantly, the increase in heat transport due to elevated temperature is augmented by the increase due to high P inside planets, providing stability against convection. The popular view of a vigorously convecting interior needs revisiting, given known feedback in the temperature equation and the large size of the HT term. To understand the microscopic basis of HT term, we re
NASA Astrophysics Data System (ADS)
Jana, R. N.; Meikap, A. K.
2016-05-01
The results of a comprehensive study of weak electron localization (WEL) and electron-electron interaction (EEI) effects in disordered V75X25 (X = Pd, Al) alloys has been reported. The resistivity in absence of magnetic field shows a minimum at temperature T = Tm and follows T1/2 law within the temperature range 5K ≤ T ≤ Tm, which suggests predominant EEI effect. Magnetoresistivity is positive due to strong spin-orbit interaction. The dephasing scattering time is dominated by the electron-phonon scattering. The electron-phonon scattering rate shows quadratic temperature dependence behavior, which is explained by the theory of incomplete dragging at the random scattering potential by phonons. The zero temperature scattering time strongly depends on the disorder and its magnitude decreases with increasing disorder.
NASA Astrophysics Data System (ADS)
Krowne, Clifford M.
1983-05-01
A simple matrix element is used to approximate electron-acoustic phonon scattering between different electron subbands i in the n channel of a (100) surface silicon MOSFET (metal-oxide-semiconductor field-effect transistor) device. This matrix element is used to determine the form of the electron power loss Pij in a i→j intersubband transition. P10 is calculated for TL =4.2 °K lattice temperature and electron temperatures Te between 4.4 °K and 18 °K when the electron inversion density Ninv =(3.76-10.0)×1011 cm-2 and an acceptor density NA =1014/cm3, and compared to Fang and Fowler's experimental data (which is put into the form of an experimental power loss Pexp). This is justified since the total power loss P due to intrasubband scattering as well as other Pij terms besides P10 is small. It is found that good to excellent fits between P10 and Pexp occur by adjusting the separation Δɛ10 between the lowest two circular subband edges. Δɛ10 is between 5.2 and 9.4 meV, and the electron-phonon deformation coupling constant D≊3.5 eV. The values of Δɛ10 obtained in such a manner roughly agree with Stern's theoretical self-consistent results. P10 is very sensitive to both Δɛ10 and to the effective mass for motion parallel to the surface m1 with the results implying that m1≊0.19m0 (m0=free electron rest mass). If one wants to find the contribution of intersubband scattering to P at higher TL, the formalism should still be applicable, although the approach could be much more complicated due to the addition of new Pij terms coming from both higher subbands and new scattering agents such as optical modes.
NASA Astrophysics Data System (ADS)
Romero-Rochín, Víctor; Koehl, Richard M.; Brennan, Ciaran J.; Nelson, Keith A.
1999-08-01
We study theoretically the generation of coherent, anharmonic phonon-polariton responses through impulsive stimulated Raman scattering with intense, crossed ultrafast excitation pulses. We find that the refractive index appears modulated at the stimulated scattering wave vector and the corresponding phonon-polariton frequency, and, due to anharmonicity, at stimulated scattering wave vector overtones and their corresponding frequencies. A realistic model of the soft lattice vibrational mode of the ferroelectric crystal lithium tantalate is considered in detail. Specific predictions for the magnitudes of different wave vector overtone contributions to the lattice displacement are made compared to experimental observations of anharmonic lattice responses.
NASA Astrophysics Data System (ADS)
Savic, Ivana; Murphy, Ronan; Murray, Eamonn; Fahy, Stephen
Efficient thermoelectric energy conversion is highly desirable as 60% of the consumed energy is wasted as heat. Low lattice thermal conductivity is one of the key factors leading to high thermoelectric efficiency of a material. However, the major obstacle in the design of such materials is the difficulty in efficiently scattering phonons across the frequency spectrum. Using first principles calculations, we predict that driving PbTe materials close to a Peierls-like phase transition could be a powerful strategy to solve this problem. We illustrate this concept by applying tensile [001] strain to PbTe and its alloys with another rock-salt IV-VI material, PbSe; and by alloying PbTe with a IV-VI Peierls-distorted material, GeTe. This induces extremely soft optical modes, which increase acoustic-optical phonon coupling and decrease phonon lifetimes at all frequencies. We show that PbTe, Pb(Se,Te) and (Pb,Ge)Te alloys driven near the phase transition in the described manner could have the lattice thermal conductivity considerably lower than that of PbTe. The proposed concept may open new opportunities for the development of more efficient thermoelectric materials. This work was supported by Science Foundation Ireland and the Marie-Curie Action COFUND under Starting Investigator Research Grant 11/SIRG/E2113.
Neumann-Cosel, P. von; Burda, O.; Kuhar, M.; Lenhardt, A.; Ponomarev, V. Yu.; Richter, A.; Wambach, J.; Botha, N. T.; Fearick, R. W.; Carter, J.; Sideras-Haddad, E.; Foertsch, S. V.; Neveling, R.; Smit, F. D.; Fransen, C.; Fujita, H.; Pietralla, N.
2006-03-13
High-resolution inelastic electron (performed at the S-DALINAC) and proton (performed at iThemba LABS) scattering experiments on 92Zr and 94Mo with emphasis on E2 transitions are presented The measured form factors and angular distributions provide a measure for the F-spin purity, respectively the isovector nature, of the proposed one-phonon mixed symmetry states and furthermore provide a sensitive test of a possible two-phonon character of excited 2+ states.
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.
Additivity of light-scattering patterns of aggregated biological particles
NASA Astrophysics Data System (ADS)
Moskalensky, Alexander E.; Strokotov, Dmitry I.; Chernyshev, Andrei V.; Maltsev, Valeri P.; Yurkin, Maxim A.
2014-08-01
The paper is focused on light scattering by aggregates of optically soft particles with a size larger than the wavelength, in particular, blood platelets. We conducted a systematic simulation of light scattering by dimers and larger aggregates of blood platelets, each modeled as oblate spheroids, using the discrete dipole approximation. Two-dimensional (2-D) light scattering patterns (LSPs) and internal fields showed that the multiple scattering between constituent particles can be neglected. Additionally, we derived conditions of the scattering angle and orientation of the dimer, under which the averaging of the 2-D LSPs over the azimuthal scattering angle washes out interference in the far field, resulting in averaged LSPs of the aggregate being equal to the sum of that for its constituents. We verified theoretical conclusions using the averaged LSPs of blood platelets measured with the scanning flow cytometer (SFC). Moreover, we obtained similar results for a model system of aggregates of polystyrene beads, studied both experimentally and theoretically. Finally, we discussed the potential of discriminating platelet aggregates from monomers using the SFC.
NASA Astrophysics Data System (ADS)
Shcherbakov, Alexandre S.; Arellanes, Adan O.
2016-03-01
Principally new features of the non-collinear two-phonon light scattering governed by elastic waves of finite amplitude in birefringent bulk crystals are detected and observed. The main goals of our investigations are to reveal novel important details inherent in the nonlinearity of this effect and to study properties of similar parametric nonlinearity both theoretically and experimentally in wide-aperture crystals with moderate linear acoustic attenuation. An additional degree of freedom represented by the dispersive birefringence factor, which can be distinguished within this nonlinear phenomenon, is characterized. This physical degree of freedom gives us a one-of-a-kind opportunity to apply the strongly non-linear two-phonon light scattering in practice for the first time. The local unit-level maxima in the distribution of light scattered into the second order appear periodically as the acoustic power density grows. It makes possible to identify a few transfer function profiles peculiar to these maxima in the isolated planes of angular-frequency mismatches. These maxima give us an opportunity to choose the desirable profile for the transfer function at the fixed angle of incidence for the incoming light beam with a wide spectrum .The needed theoretical analysis is developed and proof-of-principle experiments, performed with a specially designed wide-aperture acousto-optical cell made of the calomel (α-Hg2Cl2) crystal, are presented. The obtained spectral resolution ~0.235 Å at 405 nm (i.e. the resolving power ~17,200) can be compared with the most advanced acousto-optical spectrometers for space/airborne operations. Evidently, our results with the calomel-based acousto-optical cell look like the best we can mention at the moment.
Liu, Jie; Xu, Xu; Anantram, M.P.
2014-09-01
The electron transport through ultra-scaled amorphous phase change material (PCM) GeTe is investigated by using ab initio molecular dynamics, density functional theory, and non-equilibrium Green’s function, and the inelastic electron–phonon scattering is accounted for by using the Born approximation. It is shown that, in ultra-scaled PCM device with 6 nm channel length, < 4 % of the energy carried by the incident electrons from the source is transferred to the atomic lattice before reaching the drain, indicating that the electron transport is largely elastic. Our simulation results show that the inelastic electron–phonon scattering, which plays an important role to excite trapped electrons in bulk PCM devices, exerts very limited influence on the current density value and the shape of current–voltage curve of ultra-scaled PCM devices. The analysis reveals that the Poole–Frenkel law and the Ohm’s law, which are the governing physical mechanisms of the bulk PCM devices, cease to be valid in the ultra-scaled PCM devices.
Muñoz, Jorge A.; Fultz, Brent
2015-07-23
Recent measurements of the phonon spectra of several Au-rich alloys of face-centered-cubic Fe-Au using inelastic neutron scattering and nuclear-resonant inelastic x-ray scattering are summarized. The Wills-Harrison model, accounting for charge transfer upon alloying, is used to explain the observed negative excess vibrational entropy of mixing, which increases the miscibility gap temperature in the system by an estimated maximum of 550 K and we adjudicate to a charge transfer from the Fe to the Au atoms that results in an increase in the electron density in the free-electron-like states and in stronger sd-hybridization. When Au is the solvent, this softens the Fe–Fe bonds but stiffens the Au–Au and Au–Fe bonds which results in a net stiffening relative to the elemental components.
Hong, Min; Chasapis, Thomas C; Chen, Zhi-Gang; Yang, Lei; Kanatzidis, Mercouri G; Snyder, G Jeffrey; Zou, Jin
2016-04-26
Driven by the prospective applications of thermoelectric materials, massive efforts have been dedicated to enhancing the conversion efficiency. The latter is governed by the figure of merit (ZT), which is proportional to the power factor (S(2)σ) and inversely proportional to the thermal conductivity (κ). Here, we demonstrate the synthesis of high-quality ternary Bi2Te3-xSex nanoplates using a microwave-assisted surfactant-free solvothermal method. The obtained n-type Bi2Te2.7Se0.3 nanostructures exhibit a high ZT of 1.23 at 480 K measured from the corresponding sintered pellets, in which a remarkably low κ and a shift of peak S(2)σ to high temperature are observed. By detailed electron microscopy investigations, coupled with theoretical analysis on phonon transports, we propose that the achieved κ reduction is attributed to the strong wide-frequency phonon scatterings. The shifting of peak S(2)σ to high temperature is due to the weakened temperature dependent transport properties governed by the synergistic carrier scatterings and the suppressed bipolar effects by enlarging the band gap. PMID:27058746
Interfacial electron and phonon scattering processes in high-powered nanoscale applications.
Hopkins, Patrick E.
2011-10-01
The overarching goal of this Truman LDRD project was to explore mechanisms of thermal transport at interfaces of nanomaterials, specifically linking the thermal conductivity and thermal boundary conductance to the structures and geometries of interfaces and boundaries. Deposition, fabrication, and post possessing procedures of nanocomposites and devices can give rise to interatomic mixing around interfaces of materials leading to stresses and imperfections that could affect heat transfer. An understanding of the physics of energy carrier scattering processes and their response to interfacial disorder will elucidate the potentials of applying these novel materials to next-generation high powered nanodevices and energy conversion applications. An additional goal of this project was to use the knowledge gained from linking interfacial structure to thermal transport in order to develop avenues to control, or 'tune' the thermal transport in nanosystems.
NASA Astrophysics Data System (ADS)
Shcherbakov, Alexandre S.; Arellanes, Adan O.
2016-03-01
Performances of any system for data processing based on acousto-optical technique are mainly determined by parameters of the acousto-optical cell (AOC) exploited within the schematic arrangement. Here, basic properties of the AOC, involved into a novel processor for precise optical spectrum analysis dedicated to modern astrophysical applications, are considered. Because potential applications of this processor will be focused on investigations in extra-galactic astronomy as well as studies of extra-solar planets, an advanced regime of the non-collinear two-phonon light scattering has been elaborated for spectrum analysis with significantly improved spectral resolution. Under similar uprated requirements, the AOC, based on that specific regime in the calomel (Hg2Cl2) crystal, had been chosen, and its parameters were analyzed theoretically and verified experimentally. Then, the adequate approach to estimating the frequency/spectral bandwidth and spectral resolution had been developed. The bandwidth was calculated and experimentally realized with the additionally involved tilt angle of light incidence, allowing variations for acoustic frequencies. The resolution was characterized taking into account its doubling peculiar to the nonlinear two-phonon mechanism of light scattering. Proof-of-principle experiments were performed with the calomel AOC of 52 mm optical aperture, providing ~94% efficiency in the transmitted light due to the slow-shear acoustic mode of finite amplitude (the acoustic power density ~150 mW/mm2) with the velocity of 0.347×105 cm/s at the radio-wave acoustic frequency ~71 MHz. As a result, we have obtained the spectral resolution <0.235 Å within the spectral bandwidth <290 Å that looks as the best one can mention at the moment in acousto-optics.
Thermal conductivity in $\text{large}-J$ two-dimensional antiferromagnets: Role of phonon scattering
Chernyshev, A. L.; Brenig, Wolfram
2015-08-05
Different types of relaxation processes for magnon heat current are discussed, with a particular focus on coupling to three-dimensional phonons. There is thermal conductivity by these in-plane magnetic excitations using two distinct techniques: Boltzmann formalism within the relaxation-time approximation and memory-function approach. Also considered are the scattering of magnons by both acoustic and optical branches of phonons. We demonstrate an accord between the two methods, regarding the asymptotic behavior of the effective relaxation rates.
It is strongly suggested that scattering from optical or zone-boundary phonons is important for magnon heat current relaxation in a high-temperature window of ΘD≲T<< J.
NASA Astrophysics Data System (ADS)
Murphy, Ronan M.; Murray, Éamonn D.; Fahy, Stephen; Savić, Ivana
2016-03-01
The major obstacle in the design of materials with low lattice thermal conductivity is the difficulty in efficiently scattering phonons across the entire frequency spectrum. Using first-principles calculations, we show that driving PbTe materials to the brink of the ferroelectric phase transition could be a powerful strategy to solve this problem. We illustrate this concept by applying biaxial tensile (001) strain to PbTe and its alloys with another rocksalt IV-VI material, PbSe; and by alloying PbTe with a rhombohedral IV-VI material, GeTe. This induces extremely soft optical modes at the zone center, which increase anharmonic acoustic-optical coupling and decrease phonon lifetimes at all frequencies. We predict that PbTe, Pb(Se,Te), and (Pb,Ge)Te alloys driven close to the phase transition in the described manner will have considerably lower lattice thermal conductivity than that of PbTe (by a factor of 2 -3 ). The proposed concept may open new opportunities for the development of more efficient thermoelectric materials.
Cross-plane heat conduction in thin films with ab-initio phonon dispersions and scattering rates
NASA Astrophysics Data System (ADS)
Vermeersch, Bjorn; Carrete, Jesús; Mingo, Natalio
2016-05-01
We present a first-principles study of the cross-plane thermal conductivity κ ⊥ in a wide variety of semiconductor thin films. We introduce a simple suppression model that matches variance-reduced Monte Carlo simulations with ab-initio phonon dispersions and scattering rates within ≤ 5 % even for anisotropic compounds. This, in turn, enables accurate κ ⊥ reconstruction from tabulated cumulative conductivity curves κ Σ ( Λ ⊥ ) . We furthermore reveal, and explain, a distinct quasiballistic regime characterised by a fractional thickness dependence κ ⊥ ˜ L 2 - α in alloys (where α is the Lévy exponent) and logarithmic dependence κ ⊥ ˜ ln ( L ) in single crystals. These observations culminate in the formulation of two compact parametric forms for κ ⊥ ( L ) that can fit the first-principles curves across the entire ballistic-diffusive range within a few percent for all investigated compounds.
NASA Astrophysics Data System (ADS)
Fukasawa, Ryoichi; Okubo, Yusei; Abe, Osamu; Ohta, Kimihiro
1992-03-01
We report the Raman scattering spectra of the folded longitudinal acoustic phonon of AlxGa1-xAs/GaAs superlattices for various aluminium (Al) mole fractions. The effect of Al mole fraction increases on the Raman intensities and the frequencies was studied.
Bulat, Lev P.; Osvenskii, Vladimir B.; Parkhomenko, Yurii N.; Pshenay-Severin, Dmitry A.
2012-09-15
One of the possible ways to increase the thermoelectric figure of merit is the use of bulk nanostructured materials fabricated by melt spinning with subsequent hot pressing or spark plasma sintering. Among a variety of nanostructure types these materials contain regions of initial solid solution with nanometer sized inclusions of different compositions. In the present work the scattering of holes and phonons on nanoinclusions in such p-Bi{sub x}Sb{sub 1-x}Te{sub 3} based materials is considered. The change of transport coefficients due to this scattering mechanism is theoretically estimated. The estimations showed that the reduction of lattice thermal conductivity (about 12-13%) for nanoinclusions of Bi{sub 2}Te{sub 3}-Sb{sub 2}Te{sub 3} solid solution with different compositions is much greater than the change in power factor. Therefore the corresponding increase of the thermoelectric figure of merit for this case is determined mainly by phonon scattering. Also it is shown that the results of estimations depend on phonon spectrum approximation, e.g. in the case of sine-shaped instead of linear phonon spectrum the estimations give two times higher thermal conductivity reduction. - Graphical abstract: Relative phonon thermal conductivity {kappa}{sub ph} change (black line) due to nanoinclusion scattering versus nanoinclusion radius a, and relative thermoelectric power factor change (red line) due to nanoinclusion scattering versus chemical potential {mu} at nanoinclusion size a=1.5 nm and U{sub 0}=-0.146 eV. Highlights: Black-Right-Pointing-Pointer p-Bi{sub x}Sb{sub 1-x}Te{sub 3} solid solutions with nanosized inclusions were considered. Black-Right-Pointing-Pointer Selective hole scattering can increase power factor at high carrier concentrations. Black-Right-Pointing-Pointer Lattice thermal conductivity estimations depend on phonon spectrum approximation. Black-Right-Pointing-Pointer Phonon scattering can reduce lattice thermal conductivity by about 12-13%. Black
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.
Park, Kyeong Hyun Mohamed, Mohamed; Ravaioli, Umberto; Aksamija, Zlatan
2015-01-07
In this work, we calculate the thermal conductivity of layered bismuth telluride (Bi{sub 2}Te{sub 3}) thin films by solving the Boltzmann transport equation in the relaxation-time approximation using full phonon dispersion and compare our results with recently published experimental data and molecular dynamics simulation. The group velocity of each phonon mode is readily extracted from the full phonon dispersion obtained from first-principle density-functional theory calculation and is used along with the phonon frequency to compute the various scattering terms. Our model incorporates the typical interactions impeding thermal transport (e.g., umklapp, isotope, and boundary scatterings) and introduces a new interaction capturing the reduction of phonon transmission through van der Waals interfaces of adjacent Bi{sub 2}Te{sub 3} quintuple layers forming the virtual superlattice thin film. We find that this novel approach extends the empirical Klemens-Callaway relaxation model in such anisotropic materials and recovers the experimental anisotropy while using a minimal set of parameters.
Photoreflectance investigation of exciton-acoustic phonon scattering in GaN grown by MOVPE
NASA Astrophysics Data System (ADS)
Bouzidi, M.; Soltani, S.; Halidou, I.; Chine, Z.; El Jani, B.
2016-04-01
In this paper, we report a systematic investigation of the near band edge (NBE) excitonic states in GaN using low temperature photoluminescence (PL) and photoreflectance (PR) measurements. For this purpose, GaN films of different thicknesses have been grown on silicon nitride (SiN) treated c-plane sapphire substrates by atmospheric pressure metalorganic vapor phase epitaxy (MOVPE). Low temperature PR spectra exhibit well-defined spectral features related to the A, B and C free excitons denoted by FXA FXB and FXC, respectively. In contrast, PL spectra are essentially dominated by the A free and donor bound excitons. By combining PR spectra and Hall measurements a strong correlation between residual electron concentration and exciton linewidths is observed. From the temperature dependence of the excitonic linewidths, the exciton-acoustic phonon coupling constant is determined for FXA, FXB and FXC. We show that this coupling constant is strongly related to the exciton kinetic energy and to the strain level.
Zamrun, Muhammad F.; Kasim, Hasan Abu
2011-03-30
We study the large angle quasi-elastic scattering of {sup 54}Cr+{sup 208}Pb system in terms of the full-order coupled-channels formalism. We especially investigate the role of single, double and triple phonon excitations on quasi-elastic scattering cross section as well as quasi-elastic barrier distribution of this system for which the experimental data have been measured. It is shown that the triple phonon excitations both in {sup 54}Cr and {sup 208}Pb nuclei seem to be needed by the present coupled-channels calculations in order to reproduce the experimental data of quasi-elastic cross section and barrier distribution for the {sup 54}Cr+{sup 208}Pb system. We also show that the standard value of the surface diffuseness parameter for the nuclear potential a = 0.63 fm, is preferred by the experimental quasi-elastic scattering data for this system.
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.
Price, A. Martinez, A.
2015-04-28
Using quantum transport simulations, the impact of electron-phonon scattering on the transfer characteristic of a gate-all-around nanowire (GaAs) field effect transistor (NWFET) has been thoroughly investigated. The Non-Equilibrium Green's Function formalism in the effective mass approximation using a decoupled mode decomposition has been deployed. NWFETs of different dimensions have been considered, and scattering mechanisms including acoustic, optical and polar optical phonons have been included. The effective masses were extracted from tight binding simulations. High and low drain bias have been considered. We found substantial source to drain tunnelling current and significant impact of phonon scattering on the performance of the NWFET. At low drain bias, for a 2.2 × 2.2 nm{sup 2} cross-section transistor, scattering caused a 72%, 77%, and 81% decrease in the on-current for a 6 nm, 10 nm, and 20 nm channel length, respectively. This reduction in the current due to scattering is influenced by the increase in the tunnelling current. We include the percentage tunnelling for each valley at low and high drain bias. It was also found that the strong quantisation caused the relative position of the valleys to vary with the cross-section. This had a large effect on the overall tunnelling current. The phonon-limited mobility was also calculated, finding a mobility of 950 cm{sup 2}/V s at an inversion charge density of 10{sup 12 }cm{sup −2} for a 4.2 × 4.2 nm{sup 2} cross-section device.
Damped soft phonons and diffuse scattering in (Bi1/2Na1/2)TiO3
NASA Astrophysics Data System (ADS)
Matsuura, M.; Iida, H.; Hirota, K.; Ohwada, K.; Noguchi, Y.; Miyayama, M.
2013-02-01
Neutron-scattering studies of (Bi1/2Na1/2)TiO3 (BNT) have been performed to elucidate the microscopic mechanism of the broad maximum in the temperature dependence of the dielectric constant at Tm˜600 K and the reduction in the piezoelectric properties above the depolarization temperature, 460˜480 K. We observed diffuse scattering near the Γ point below 700 K, which competes with the superlattice peak at the M point of the tetragonal phase but coexists with the superlattice peak at the R point of the rhombohedral phase. The diffuse scattering shows an anisotropic Q shape extending along the <100> direction transverse to the scattering vector Q, which is explained by atomic shifts bridging the tetragonal and rhombohedral structures. We propose that the broad maximum in the dielectric constant is associated with a diffusive first-order transition between the competing tetragonal and rhombohedral phases. In addition, we found that the diffuse scattering is reduced for single crystals grown under high oxygen pressure, which suggests an analogy with the central peak in hydrogen-reduced SrTiO3. Inelastic neutron scattering near the Γ point reveals a heavily overdamped soft mode similar to those reported in lead-based relaxors, the “waterfall” feature. Moreover, a damped soft transverse acoustic mode is observed for the <100> direction as the anisotropic diffuse scattering, indicating phase instabilities with the same origin as that of the diffuse scattering. The recovery of the soft mode is observed near the depolarization temperature, which coincides with the disappearance of the superlattice peak at the M point. These results indicate that the depolarization and the waterfall feature originate in the dynamic nature of ferroelectric clusters in the coexisting tetragonal/rhombohedral phase.
Propagation of large-wavevector acoustic phonons new perspectives from phonon imaging
NASA Astrophysics Data System (ADS)
Wolfe, James P.
Within the last decade a number of attempts have been made to observe the ballistic propagation of large wavevector acoustic phonons in crystals at low temperatures. Time-of-flight heat-pulse methods have difficulty in distinguishing between scattered phonons and ballistic phonons which travel dispersively at subsonic velocities. Fortunately, ballistic phonons can be identified by their highly anisotropic flux, which is observed by phonon imaging techniques. In this paper, several types of phonon imaging experiments are described which reveal the dispersive propagation of large-wavevector phonons and expose interesting details of the phonon scattering processes.
NASA Astrophysics Data System (ADS)
Milekhin, Alexander G.; Sveshnikova, Larisa L.; Duda, Tatyana A.; Rodyakina, Ekaterina E.; Dzhagan, Volodymyr M.; Sheremet, Evgeniya; Gordan, Ovidiu D.; Himcinschi, Cameliu; Latyshev, Alexander V.; Zahn, Dietrich R. T.
2016-05-01
Here we present the results on an investigation of resonant Stokes and anti- Stokes surface-enhanced Raman scattering (SERS) by optical phonons in colloidal CdSe nanocrystals (NCs) homogeneously deposited on arrays of Au nanoclusters using the Langmuir-Blodgett technology. The thickness of deposited NCs, determined by transmission and scanning electron microscopy, amounts to approximately 1 monolayer. Special attention is paid to the determination of the localized surface plasmon resonance (LSPR) energy in the arrays of Au nanoclusters as a function of the nanocluster size by means of micro-ellipsometry. SERS by optical phonons in CdSe NCs shows a significant enhancement factor with a maximal value of 2 × 103 which depends resonantly on the Au nanocluster size and thus on the LSPR energy. The deposition of CdSe NCs on the arrays of Au nanocluster dimers enabled us to study the polarization dependence of SERS. It was found that a maximal SERS signal is observed for the light polarization along the dimer axis. Finally, SERS by optical phonons was observed for CdSe NCs deposited on the structures with a single Au dimer. A difference of the LO phonon energy is observed for CdSe NCs on different single dimers. This effect is explained as the confinement-induced shift which depends on the CdSe nanocrystal size and indicates quasi-single NC Raman spectra being obtained.
NASA Astrophysics Data System (ADS)
Xu, Ruqing; Wong, Joe; Zschack, Paul; Hong, Hawoong; Chiang, Tai-Chang
2007-03-01
The 5f electrons in Pu can be either bonding or localized, depending sensitively on the temperature, pressure, and impurity doping. As a result, Pu displays a rich phase diagram involving a large number of phases with substantially different atomic volumes. In a recent report of the phonon dispersion curves of Ga-stablized δ-Pu at room temperature and ambient pressure, a pronounced deepening of the TA[111] phonon branch near the L point was discovered. This phonon softening was suggested to be related to a lattice shearing mechanism that could lead to the structural phase transition from the fcc δ phase to the monoclinic α' phase at about 170 K. Here we report our measurements of x-ray thermal diffuse scattering from a δ-Pu crystal (with 0.6 wt% Ga) at temperatures from 307K to 200K. The results show no further softening of the phonons near the L point as the sample temperature decreases. The implications regarding the relationship between the soft mode and the phase transition will be discussed.
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.
Liu, Y.; Berti, D.; Baglioni, P.; Chen, S. H.; Alatas, A.; Sinn, H.; Said, A.; Alp, E. E.; Experimental Facilities Division; Massachusetts Inst. of Technology; Univ. of Florence
2005-01-01
Shear-aligned 40 wt% calf-thymus Na-DNA molecules in aqueous solutions are prepared in their liquid crystalline phases and studied by high resolution inelastic X-ray scattering (IXS). Measured IXS spectra are analyzed with the generalized three effective eigenmode (GTEE) theory. The phonon dispersion relations along the axial direction of DNA molecules with different MgCl2 concentrations are constructed and compared. It is found that the sound speed along the axial direction of DNA molecules varies only slightly, but the phonon dampening is greatly affected with the increase amount of MgCl{sub 2} concentration. Using the GTEE theory, we are able to extract the longitudinal viscosity in the hydrodynamic limit from the Q-dependence of a fitted parameter. We make a comprehensive review of the GTEE theory and discuss detailed analyses of IXS spectra taking into account finite energy resolution of the instrument.
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.
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
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
factor. In addition, the techniques and scientific understanding developed in the research can be applied to a wide range of materials, with the caveat that the thermal conductivity of such a material be dominated by phonon, rather than electron, transport. In particular, this includes several thermoelectric materials with attractive properties at elevated temperatures (i.e., greater than room temperature), such as silicon germanium and silicon carbide. It is reasonable that phononic crystal patterning could be used for high-temperature thermoelectric devices using such materials, with applications in energy scavenging via waste-heat recovery and thermoelectric cooling for high-performance microelectronic circuits. The only part of the ZT picture missing in this work was the experimental measurement of the Seebeck coefficient of our phononic crystal devices. While a first-order approximation indicates that the Seebeck coefficient should not change significantly from that of bulk silicon, we were not able to actually verify this assumption within the timeframe of the project. Additionally, with regards to future high-temperature applications of this technology, we plan to measure the thermal conductivity reduction factor of our phononic crystals as elevated temperatures to confirm that it does not diminish, given that the nominal thermal conductivity of most semiconductors, including silicon, decreases with temperature above room temperature. We hope to have the opportunity to address these concerns and further advance the state-of-the-art of thermoelectric materials in future projects.
Xia, H. Patterson, R.; Feng, Y.; Shrestha, S.; Conibeer, G.
2014-08-11
The rates of charge carrier relaxation by phonon emission are of substantial importance in the field of hot carrier solar cell, primarily in investigation of mechanisms to slow down hot carrier cooling. In this work, energy and momentum resolved deformation potentials relevant to electron-phonon scattering are computed for wurtzite InN and GaN as well as an InN/GaN multiple quantum well (MQW) superlattice using ab-initio methods. These deformation potentials reveal important features such as discontinuities across the electronic bandgap of the materials and variations over tens of eV. The energy dependence of the deformation potential is found to be very similar for wurtzite nitrides despite differences between the In and Ga pseudopotentials and their corresponding electronic band structures. Charge carrier relaxation by this mechanism is expected to be minimal for electrons within a few eV of the conduction band edge. However, hole scattering at energies more accessible to excitation by solar radiation is possible between heavy and light hole states. Moderate reductions in overall scattering rates are observed in MQW relative to the bulk nitride materials.
NASA Astrophysics Data System (ADS)
Xia, H.; Patterson, R.; Feng, Y.; Shrestha, S.; Conibeer, G.
2014-08-01
The rates of charge carrier relaxation by phonon emission are of substantial importance in the field of hot carrier solar cell, primarily in investigation of mechanisms to slow down hot carrier cooling. In this work, energy and momentum resolved deformation potentials relevant to electron-phonon scattering are computed for wurtzite InN and GaN as well as an InN/GaN multiple quantum well (MQW) superlattice using ab-initio methods. These deformation potentials reveal important features such as discontinuities across the electronic bandgap of the materials and variations over tens of eV. The energy dependence of the deformation potential is found to be very similar for wurtzite nitrides despite differences between the In and Ga pseudopotentials and their corresponding electronic band structures. Charge carrier relaxation by this mechanism is expected to be minimal for electrons within a few eV of the conduction band edge. However, hole scattering at energies more accessible to excitation by solar radiation is possible between heavy and light hole states. Moderate reductions in overall scattering rates are observed in MQW relative to the bulk nitride materials.
Uniaxial strain-induced Kohn anomaly and electron-phonon coupling in acoustic phonons of graphene
NASA Astrophysics Data System (ADS)
Cifuentes-Quintal, M. E.; de la Peña-Seaman, O.; Heid, R.; de Coss, R.; Bohnen, K.-P.
2016-08-01
Recent advances in strain engineering at the nanoscale have shown the feasibility to modulate the properties of graphene. Although the electron-phonon (e-ph) coupling and Kohn anomalies in graphene define the phonon branches contributing to the resonance Raman scattering and are relevant to the electronic and thermal transport as a scattering source, the evolution of the e-ph coupling as a function of strain has been less studied. In this work, the Kohn anomalies and the e-ph coupling in uniaxially strained graphene along armchair and zigzag directions were studied by means of density functional perturbation theory calculations. In addition to the phonon anomaly at the transversal optical (TO) phonon branch in the K point for pristine graphene, we found that uniaxial strain induces a discontinuity in the frequency derivative of the longitudinal acoustic phonon branch. This behavior corresponds to the emergence of a Kohn anomaly, as a consequence of a strain-enhanced e-ph coupling. Thus, the present results for uniaxially strained graphene contrast with the commonly assumed view that the e-ph coupling around the K point is only present in the TO phonon branch.
Zhang, Xin; Qiao, Xiao-Fen; Shi, Wei; Wu, Jiang-Bin; Jiang, De-Sheng; Tan, Ping-Heng
2015-05-01
Two-dimensional (2D) transition metal dichalcogenide (TMD) nanosheets exhibit remarkable electronic and optical properties. The 2D features, sizable bandgaps and recent advances in the synthesis, characterization and device fabrication of the representative MoS2, WS2, WSe2 and MoSe2 TMDs make TMDs very attractive in nanoelectronics and optoelectronics. Similar to graphite and graphene, the atoms within each layer in 2D TMDs are joined together by covalent bonds, while van der Waals interactions keep the layers together. This makes the physical and chemical properties of 2D TMDs layer-dependent. In this review, we discuss the basic lattice vibrations of 2D TMDs from monolayer, multilayer to bulk material, including high-frequency optical phonons, interlayer shear and layer breathing phonons, the Raman selection rule, layer-number evolution of phonons, multiple phonon replica and phonons at the edge of the Brillouin zone. The extensive capabilities of Raman spectroscopy in investigating the properties of TMDs are discussed, such as interlayer coupling, spin-orbit splitting and external perturbations. The interlayer vibrational modes are used in rapid and substrate-free characterization of the layer number of multilayer TMDs and in probing interface coupling in TMD heterostructures. The success of Raman spectroscopy in investigating TMD nanosheets paves the way for experiments on other 2D crystals and related van der Waals heterostructures. PMID:25679474
NASA Astrophysics Data System (ADS)
Wang, Y.; Nakatsukasa, K.; Rademaker, L.; Berlijn, T.; Johnston, S.
2016-05-01
Mono- and multilayer FeSe thin films grown on SrTiO3 and BiTiO3 substrates exhibit a greatly enhanced superconductivity over that found in bulk FeSe. A number of proposals have been advanced for the mechanism of this enhancement. One possibility is the introduction of a cross-interface electron–phonon (e–ph) interaction between the FeSe electrons and oxygen phonons in the substrates that is peaked in the forward scattering (small {q}) direction due to the two-dimensional nature of the interface system. Motivated by this, we explore the consequences of such an interaction on the superconducting state and electronic structure of a two-dimensional system using Migdal–Eliashberg (ME) theory. This interaction produces not only deviations from the expectations of conventional phonon-mediated pairing but also replica structures in the spectral function and density of states, as probed by angle-resolved photoemission spectroscopy, scanning tunneling microscopy/spectroscopy, and quasiparticle interference imaging. We also discuss the applicability of ME theory for a situation where the e–ph interaction is peaked at small momentum transfer and in the FeSe/STO system.
Cooper, Michael William D.; Liu, Xiang -Yang; Stanek, Christopher Richard; Andersson, David Anders
2016-07-15
In this study, a new approach for adjusting molecular dynamics results on UO2 thermal conductivity to include phonon-spin scattering has been used to improve calculations on Ux Pu1–x O2 and UxTh1xO2. We demonstrate that by including spin scattering a strong asymmetry as a function of uranium actinide fraction, x, is obtained. Greater degradation is shown for UxTh1–xO2 than UxPu1-xO2. Minimum thermal conductivities are predicted at U0.97Pu0.03O2 and U0.58Th0.42O2, although the degradation in UxPu1–xO2 is negligible relative to pure UO2.
PHONONS IN INTRINSIC JOSEPHSON SYSTEMS
C. PREIS; K. SCHMALZL; ET AL
2000-10-01
Subgap structures in the I-V curves of layered superconductors are explained by the excitation of phonons by Josephson oscillations. In the presence of a magnetic field applied parallel to the layers additional structures due to fluxon motion appear. Their coupling with phonons is investigated theoretically and a shift of the phonon resonances in strong magnetic fields is predicted.
Giefers, H.; Koval, S.; Wortmann, G.; Sturhahn, W.; Alp, E.E.; Hu, M.Y.; X-Ray Science Division; Univ. of Paderborn; Univ. of Nevada at Las Vegas; Univ. Nacional de Rosario
2006-09-29
The local phonon density of states (DOS) at the Sn site in tin monoxide (SnO) is studied at pressures up to 8 GPa with 119Sn nuclear resonant inelastic x-ray scattering (NRIXS) of synchrotron radiation at 23.88 keV. The preferred orientation (texture) of the SnO crystallites in the investigated samples is used to measure NRIXS spectra preferentially parallel and almost perpendicular to the c axis of tetragonal SnO. A subtraction method is applied to these NRIXS spectra to produce projected local Sn DOS spectra as seen parallel and perpendicular to the c axis of SnO. These experimentally obtained local Sn DOS spectra, both in the polycrystalline case as well as projected parallel and perpendicular to the c axis, are compared with corresponding theoretical phonon DOS spectra, derived from dispersion relations calculated with a recently developed shell model. Comparison between the experimental projected Sn DOS spectra and the corresponding theoretical DOS spectra enables us to follow the pressure-induced shifts of several acoustic and optic phonon modes. While the principal spectral features of the experimental and theoretical phonon DOS agree well at energies above 10 meV, the pressure behavior of the low-energy part of the DOS is not well reproduced by the theoretical calculations. In fact, they exhibit, in contrast to the experimental data, a dramatic softening of two low-energy modes, their energies approaching zero around 2.5 GPa, clearly indicating the limitations of the applied shell model. These difficulties are obviously connected with the complex Sn-O and Sn-Sn bindings within and between the Sn-O-Sn layers in the litharge structure of SnO. We derived from the experimental and theoretical DOS spectra a variety of elastic and thermodynamic parameters of the Sn sublattice, such as the Lamb-M{umlt o}ssbauer factor, the mean force constant, and Debye temperatures, as well as the vibrational contributions to the Helmholtz free energy, specific heat, entropy, and
NASA Astrophysics Data System (ADS)
Obeid, A. Scheikh; Burda, O.; Chernykh, M.; Krugmann, A.; von Neumann-Cosel, P.; Pietralla, N.; Poltoratska, I.; Ponomarev, V. Yu.; Walz, C.
2013-01-01
Background: Mixed-symmetry 2+ states in vibrational nuclei are characterized by a sign change between dominant proton and neutron valence-shell components with respect to the fully symmetric 2+ state. The sign can be measured by a decomposition of proton and neutron transition radii with a combination of inelastic electron and hadron scattering [C. Walz , Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.106.062501 106, 062501 (2011)]. For the case of 92Zr, a difference could be experimentally established for the neutron components, while about equal proton transition radii were indicated by the data.Purpose: Determination of the ground-state (g.s.) transition strength of the mixed-symmetry 22+ state and verification of the expected vanishing of the proton transition radii difference between the one-phonon 2+ states in 92Zr.Method: Differential cross sections for the excitation of one-phonon 2+ and 3- states in 92Zr have been measured with the (e,e') reaction at the S-DALINAC in a momentum transfer range q≃0.3-0.6 fm-1.Results: Transition strengths B(E2;21+→01+)=6.18(23), B(E2;22+→01+)=3.31(10), and B(E3;31-→01+)=18.4(1.1) Weisskopf units are determined from a comparison of the experimental cross sections to quasiparticle-phonon model (QPM) calculations. It is shown that a model-independent plane wave Born approximation (PWBA) analysis can fix the ratio of B(E2) transition strengths to the 21,2+ states with a precision of about 1%. The method furthermore allows to extract their proton transition radii difference. With the present data ΔR=-0.12(51) fm is obtained.Conclusions: Electron scattering at low momentum transfers can provide information on transition radii differences of one-phonon 2+ states even in heavy nuclei. Proton transition radii for the 21,2+ states in 92Zr are found to be identical within uncertainties. The g.s. transition probability for the mixed-symmetry state can be determined with high precision limited only by the available
Raman selection rule for surface optical phonons in ZnS nanobelts.
Ho, Chih-Hsiang; Varadhan, Purushothaman; Wang, Hsin-Hua; Chen, Cheng-Ying; Fang, Xiaosheng; He, Jr-Hau
2016-03-21
We report Raman scattering results for high-quality wurtzite ZnS nanobelts (NBs) grown by chemical vapor deposition. In the Raman spectrum, the ensembles of ZnS NBs exhibit first order phonon modes at 274 cm(-1) and 350 cm(-1), corresponding to A1/E1 transverse optical and A1/E1 longitudinal optical phonons, in addition to a strong surface optical (SO) phonon mode at 329 cm(-1). The existence of the SO band is confirmed by its shift with different surrounding dielectric media. Polarization dependent Raman spectra were recorded on a single ZnS NB and for the first time a SO phonon band has been detected on a single nanobelt. Different selection rules for the SO phonon mode are shown from their corresponding E1/A1 phonon modes, and were attributed to the breaking of anisotropic translational symmetry on the NB surface. PMID:26924069
Phonon anharmonicity and negative thermal expansion in SnSe
Bansal, Dipanshu; Hong, Jiawang; Li, Chen W.; May, Andrew F.; Porter, Wallace; Hu, Michael Y.; Abernathy, Douglas L.; Delaire, Olivier
2016-08-09
In this paper, the anharmonic phonon properties of SnSe in the Pnma phase were investigated with a combination of experiments and first-principles simulations. Using inelastic neutron scattering (INS) and nuclear resonant inelastic X-ray scattering (NRIXS), we have measured the phonon dispersions and density of states (DOS) and their temperature dependence, which revealed a strong, inhomogeneous shift and broadening of the spectrum on warming. First-principles simulations were performed to rationalize these measurements, and to explain the previously reported anisotropic thermal expansion, in particular the negative thermal expansion within the Sn-Se bilayers. Including the anisotropic strain dependence of the phonon free energy,more » in addition to the electronic ground state energy, is essential to reproduce the negative thermal expansion. From the phonon DOS obtained with INS and additional calorimetry measurements, we quantify the harmonic, dilational, and anharmonic components of the phonon entropy, heat capacity, and free energy. Finally, the origin of the anharmonic phonon thermodynamics is linked to the electronic structure.« less
Phonon anharmonicity and negative thermal expansion in SnSe
NASA Astrophysics Data System (ADS)
Bansal, Dipanshu; Hong, Jiawang; Li, Chen W.; May, Andrew F.; Porter, Wallace; Hu, Michael Y.; Abernathy, Douglas L.; Delaire, Olivier
2016-08-01
The anharmonic phonon properties of SnSe in the P n m a phase were investigated with a combination of experiments and first-principles simulations. Using inelastic neutron scattering (INS) and nuclear resonant inelastic X-ray scattering (NRIXS), we have measured the phonon dispersions and density of states (DOS) and their temperature dependence, which revealed a strong, inhomogeneous shift and broadening of the spectrum on warming. First-principles simulations were performed to rationalize these measurements, and to explain the previously reported anisotropic thermal expansion, in particular the negative thermal expansion within the Sn-Se bilayers. Including the anisotropic strain dependence of the phonon free energy, in addition to the electronic ground state energy, is essential to reproduce the negative thermal expansion. From the phonon DOS obtained with INS and additional calorimetry measurements, we quantify the harmonic, dilational, and anharmonic components of the phonon entropy, heat capacity, and free energy. The origin of the anharmonic phonon thermodynamics is linked to the electronic structure.
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.
NASA Astrophysics Data System (ADS)
Bobrov, N. L.
2015-08-01
Nonlinear electrical effects in superconducting S-c-S contacts, including the spectroscopy of electron-phonon interactions (EPI) in these systems, and the recovery of the EPI function from experimental data are discussed. The effect of a magnetic field on the current-voltage characteristics (I-V curves) and their derivatives for ErNi2B2C point contacts (PC) with d ≥ ξ (where d is the diameter of the PC and ξ is the coherence length) is studied. It is found that in zero magnetic fields and in near-critical fields, when the size of the superconducting gap can be neglected, the position of the peaks in dV/dI coincides with the peaks in the Yanson EPI spectra. In low fields the peaks are shifted toward lower energies and in intermediate fields, the peaks split. For PC with diameters greater than or on the order of the coherence length, the relative size of the negative phonon contribution to the excess current is considerably greater than in ballistic contacts. This leads to substantial suppression of the high-frequency peaks in the spectra for the superconducting state. In order to recover the EPI function from these spectra it is necessary to correct their intensities at high energies. For "dirty" NbSe2 and Nb point-contacts with d ≥ ξ, which have no phonon features in the second derivative of the I-V curve in the normal state, the EPI can be reconstructed from the superconducting state.
Phonons in chalcopyrite compounds
NASA Astrophysics Data System (ADS)
Derollez, P.; Laamyem, A.; Fouret, R.; Hennion, B.; Gonzalez, J.
1999-06-01
The phonon dispersion curves along the [100] and [001] directions of CuInSe2 and AgGaSe2 have been measured by inelastic neutron scattering. They are analyzed with different rigid-ion models: Born-von Karman and valence force field models. The calculated dispersion curves are in good agreement with experiments.
NASA Astrophysics Data System (ADS)
Liao, Y. Y.; Li, Y. W.; Hu, Z. G.; Chu, J. H.
2012-02-01
Lattice vibrations of highly a-axis oriented CoFe2O4 (CFO) films have been investigated by Raman scattering in the temperature range of 80-873 K. The five phonon modes T1g(2), T1g(3), Eg, A1g(1), A1g(2), and their evolutions can be uniquely distinguished. It was found that an electron transfer between Co2+ and Fe3+ cations occurs in octahedral sites at about 173 K. The structure disorder in the CFO films appears with increasing the temperature, which indicates the cation migration between tetrahedral and octahedral sites. The phenomena suggest the structural transformation trend from inverse spinel to normal spinel at the elevated temperatures.
Zeier, Wolfgang G; Pei, Yanzhong; Pomrehn, Gregory; Day, Tristan; Heinz, Nicholas; Heinrich, Christophe P; Snyder, G Jeffrey; Tremel, Wolfgang
2013-01-16
Inspired by the promising thermoelectric properties of chalcopyrite-like quaternary chalcogenides, here we describe the synthesis and characterization of the solid solution Cu(2)Zn(1-x)Fe(x)GeSe(4). Upon substitution of Zn with the isoelectronic Fe, no charge carriers are introduced in these intrinsic semiconductors. However, a change in lattice parameters, expressed in an elongation of the c/a lattice parameter ratio with minimal change in unit cell volume, reveals the existence of a three-stage cation restructuring process of Cu, Zn, and Fe. The resulting local anisotropic structural disorder leads to phonon scattering not normally observed, resulting in an effective approach to reduce the lattice thermal conductivity in this class of materials. PMID:23256607
NASA Astrophysics Data System (ADS)
Rowe, Michael P.; Zhou, Li Qin; Banerjee, Debasish; Zhang, Minjuan
2015-01-01
Recovery of waste heat from internal combustion engines is one strategy for meeting the ever increasing demand for more fuel efficient-automobiles. Thermoelectric materials are capable of this, by solid-state conversion of thermal to electrical energy, but the efficiency of this energy conversion requires improvement. In this work the thermoelectric figure of merit ( ZT) was improved by combining phonon scattering with grain boundary modification in a bismuth antimony telluride nanocomposite material with zinc antimony grain boundaries and zinc oxide nanoparticle inclusions. The advantage of including these zinc nanostructures is discussed. By reducing thermal conductivity while increasing the power factor, ZT was been increased from 0.6 to 1.1.
NASA Astrophysics Data System (ADS)
Fainstein, A.; Etchegoin, P.; Chamberlain, M. P.; Cardona, M.; Tötemeyer, K.; Eberl, K.
1995-05-01
We present a detailed experimental study of optical phonon Raman scattering in GaAs/AlAs multiple quantum wells for several in-plane geometries. By exploiting a waveguided structure, we performed 90°, forward, and backscattering experiments with dispersed light propagating along the layers. Using these geometries, phonons with various propagation directions and polarized both parallel and perpendicular to the growth axis can be probed. The 90° data complete and correct earlier results obtained for the same geometry by Zucker et al., bringing them into accord with later experimental and theoretical work. Moreover, in-plane forward scattering data are reportd as a complementary check to these experiments. We discuss selection rules and scattering mechanisms, and compare the results with phonon energies calculated within a continuum model based on linear combinations of LO, TO, and interface modes. We find a very good agreement between the experiment and the predictions of the established theory of phonon modes and Raman scattering in semiconductor heterostructures.
``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.
A study of non-equilibrium phonons in GaAs/AlAs quantum wells
Su, Zhenpeng
1996-11-01
In this thesis we have studied the non-equilibrium phonons in GaAs/AlAs quantum wells via Raman scattering. We have demonstrated experimentally that by taking into account the time-reversal symmetry relation between the Stokes and anti-Stokes Raman cross sections, one can successfully measure the non-equilibrium phonon occupancy in quantum wells. Using this technique, we have studied the subject of resonant intersubband scattering of optical phonons. We find that interface roughness plays an important role in resonant Raman scattering in quantum wells. The lateral size of the smooth regions in such interface is estimated to be of the order of 100 {Angstrom}. Through a study of photoluminescence of GaAs/AlAs quantum wells under high intensity laser excitation, we have found that band nonparabolicity has very little effect on the electron subband energies even for subbands as high as a few hundred meV above the lowest one. This finding may require additional theoretical study to understand its origin. We have also studied phonon confinement and propagation in quantum wells. We show that Raman scattering of non-equilibrium phonons in quantum wells can be a sensitive measure of the spatial extent of the longitudinal optical (LO) phonons. We deduce the coherence length of LO phonons in GaAs/Al{sub x}Ga{sub 1-x}As quantum wells as a function of the Al concentration x.
Phonons and their interactions
Nicklow, R.M.
1982-08-01
The phonon energy spectra nu(vector q) of crystalline materials contains key information about the interatomic interactions. However, it is generally not possible to fully understand the phonon spectra without also understanding the influence on phonon energies and lifetimes caused by interactions with defects, electrons and other excitations. The study of several of these types of interactions have grown over the years so as to now constitute subfields of solid state physics and the contributions of neutron scattering research to each has been, if not of paramount importance, at least very significant. In the present review we can merely touch on a few highlights. Perhaps the largest research effort is expended on electron-phonon interactions. These interactions are, of course, fundamental to the properties of metallic solids. They are seen in the phonon nu(vector q) of metals in a wide variety of effects. We shall mention three: the relatively small fine structure produced by Kohn singularities, large anomalies and phonon lifetimes measured in some superconductors and in materials with fluctuating valence.
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.
NASA Astrophysics Data System (ADS)
Wagman, J. J.; Carlo, J. P.; Gaudet, J.; Van Gastel, G.; Abernathy, D. L.; Stone, M. B.; Granroth, G. E.; Kolesnikov, A. I.; Savici, A. T.; Kim, Y. J.; Zhang, H.; Ellis, D.; Zhao, Y.; Clark, L.; Kallin, A. B.; Mazurek, E.; Dabkowska, H. A.; Gaulin, B. D.
2016-03-01
We present time-of-flight neutron scattering measurements on single crystals of La2-xBaxCuO4 (LBCO) with 0 ≤x ≤0.095 and La2-xSrxCuO4 (LSCO) with x =0.08 and 0.11. This range of dopings spans much of the phase diagram relevant to high-temperature cuprate superconductivity, ranging from insulating, three-dimensional commensurate long-range antiferromagnetic order, for x ≤0.02 , to two-dimensional (2D) incommensurate antiferromagnetism coexisting with superconductivity for x ≥0.05 . Previous work on lightly doped LBCO with x =0.035 showed a clear enhancement of the inelastic scattering coincident with the low-energy crossings of the highly dispersive spin excitations and quasi-2D optic phonons. The present work extends these measurements across the phase diagram and shows this enhancement to be a common feature to this family of layered quantum magnets. Furthermore, we show that the low-temperature, low-energy magnetic spectral weight is substantially larger for samples with nonsuperconducting ground states relative to any of the samples with superconducting ground states. Spin gaps, suppression of low-energy magnetic spectral weight as a function of decreasing temperature, are observed in both superconducting LBCO and LSCO samples, consistent with previous observations for superconducting LSCO.
Wagman, J. J.; Carlo, Jeremy P.; Gaudet, J.; Van Gastel, G. J.; Abernathy, Douglas L.; Stone, Matthew B.; Granroth, Garrett E.; Kolesnikov, Alexander I.; Savici, Andrei T.; Kim, Young -June; et al
2016-03-14
We present time-of-flight neutron-scattering measurements on single crystals of La2-xBaxCuO4 (LBCO) with 0 ≤ x ≤ 0.095 and La2-xSrxCuO4 (LSCO) with x = 0.08 and 0.11. This range of dopings spans much of the phase diagram relevant to high temperature cuprate superconductivity, ranging from insulating, three dimensional commensurate long range antiferromagnetic order for x ≤ 0.02 to two dimensional (2D) incommensurate antiferromagnetism co-existing with superconductivity for x ≥ 0.05. Previous work on lightly doped LBCO with x = 0.035 showed a clear resonant enhancement of the inelastic scattering coincident with the low energy crossings of the highly dispersive spin excitationsmore » and quasi-2D optic phonons. The present work extends these measurements across the phase diagram and shows this enhancement to be a common feature to this family of layered quantum magnets. Furthermore we show that the low temperature, low energy magnetic spectral weight is substantially larger for samples with non-superconducting ground states relative to any of the samples with superconducting ground states. Lastly spin gaps, suppression of low energy magnetic spectral weight, are observed in both superconducting LBCO and LSCO samples, consistent with previous observations for superconducting LSCO« less
Mitri, Farid
2014-11-01
The generalized theory of resonance scattering (GTRS) by an elastic spherical target in acoustics is extended to describe the arbitrary scattering of a finite beam using the addition theorem for the spherical wave functions of the first kind under a translation of the coordinate origin. The advantage of the proposed method over the standard discrete spherical harmonics transform previously used in the GTRS formalism is the computation of the off-axial beam-shape coefficients (BSCs) stemming from a closed-form partial-wave series expansion representing the axial BSCs in spherical coordinates. With this general method, the arbitrary acoustical scattering can be evaluated for any particle shape and size, whether the particle is partially or completely illuminated by the incident beam. Numerical examples for the axial and off-axial resonance scattering from an elastic sphere placed arbitrarily in the field of a finite circular piston transducer with uniform vibration are provided. Moreover, the 3-D resonance directivity patterns illustrate the theory and reveal some properties of the scattering. Numerous applications involving the scattering phenomenon in imaging, particle manipulation, and the characterization of multiphase flows can benefit from the present analysis because all physically realizable beams radiate acoustical waves from finite transducers as opposed to waves of infinite extent. PMID:25389166
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.
Coherent acoustic phonons in nanostructures
NASA Astrophysics Data System (ADS)
Dekorsy, T.; Taubert, R.; Hudert, F.; Bartels, A.; Habenicht, A.; Merkt, F.; Leiderer, P.; Köhler, K.; Schmitz, J.; Wagner, J.
2008-02-01
Phonons are considered as a most important origin of scattering and dissipation for electronic coherence in nanostructures. The generation of coherent acoustic phonons with femtosecond laser pulses opens the possibility to control phonon dynamics in amplitude and phase. We demonstrate a new experimental technique based on two synchronized femtosecond lasers with GHz repetition rate to study the dynamics of coherently generated acoustic phonons in semiconductor heterostructures with high sensitivity. High-speed synchronous optical sampling (ASOPS) enables to scan a time-delay of 1 ns with 100 fs time resolution with a frequency in the kHz range without a moving part in the set-up. We investigate the dynamics of coherent zone-folded acoustic phonons in semiconductor superlattices (GaAs/AlAs and GaSb/InAs) and of coherent vibration of metallic nanostructures of non-spherical shape using ASOPS.
Hyperbolic phonon polaritons in hexagonal boron nitride
NASA Astrophysics Data System (ADS)
Dai, Siyuan
2015-03-01
Uniaxial materials whose axial and tangential permittivities have opposite signs are referred to as indefinite or hyperbolic media. While hyperbolic responses are normally achieved with metamaterials, hexagonal boron nitride (hBN) naturally possesses this property due to the anisotropic phonons in the mid-infrared. Using scattering-type scanning near-field optical microscopy, we studied polaritonic phenomena in hBN. We performed infrared nano-imaging of highly confined and low-loss hyperbolic phonon polaritons in hBN. The polariton wavelength was shown to be governed by the hBN thickness according to a linear law persisting down to few atomic layers [Science, 343, 1125-1129 (2014)]. Additionally, we carried out the modification of hyperbolic response in heterostructures comprised of a mononlayer graphene deposited on hBN. Electrostatic gating of the top graphene layer allows for the modification of wavelength and intensity of hyperbolic phonon polaritons in bulk hBN. The physics of the modification originates from the plasmon-phonon coupling in the hyperbolic medium. Furthermore, we demonstrated the ``hyperlens'' for subdiffractional imaging and focusing using a slab of hBN.
Manipulation of thermal phonons
NASA Astrophysics Data System (ADS)
Hsu, Chung-Hao
Developing materials that can conduct electricity easily, but block the motion of phonons is necessary in the applications of thermoelectric devices, which can generate electricity from temperature differences. In converse, a key requirement as chips get faster is to obtain better ways to dissipate heat. Controlling heat transfer in these crystalline materials devices --- such as silicon --- is important. The heat is actually the motion or vibration of atoms known as phonons. Finding ways to manipulate the behavior of phonons is crucial for both energy applications and the cooling of integrated circuits. A novel class of artificially periodic structured materials --- phononic crystals --- might make manipulation of thermal phonons possible. In many fields of physical sciences and engineering, acoustic wave propagation in solids attracts many researchers. Wave propagation phenomena can be analyzed by mathematically solving the acoustic wave equation. However, wave propagation in inhomogeneous media with various geometric structures is too complex to find an exact solution. Hence, the Finite Difference Time Domain method is developed to investigate these complicated problems. In this work, the Finite-Difference Time-Domain formula is derived from acoustic wave equations based on the Taylor's expansion. The numerical dispersion and stability problems are analyzed. In addition, the convergence conditions of numerical acoustic wave are stated. Based on the periodicity of phononic crystal, the Bloch's theorem is applied to fulfill the periodic boundary condition of the FDTD method. Then a wide-band input signal is used to excite various acoustic waves with different frequencies. In the beginning of the calculation process, the wave vector is chosen and fixed. By means of recording the displacement field and taking the Fourier transformation, we can obtain the eigenmodes from the resonance peaks of the spectrum and draw the dispersion relation curve of acoustic waves
Heat transport by phonons in crystalline materials and nanostructures
NASA Astrophysics Data System (ADS)
Koh, Yee Kan
conductivity. I employed FDTR to study the mean-free-paths of acoustic phonons in Si1-xGex. I experimentally demonstrate that 40% of heat is carried in Si1-xGe x alloys by phonons with mean-free-path 0.5 ≤ ℓ ≤ 5 mum, and phonons with > 2 mum do not contribute to the thermal conductivity of Si. I employed TDTR and frequency-dependent TDTR to study scattering of long- and medium-wavelength phonons in two important thermoelectric materials embedded with nanoscale precipitates. I find that the through-thickness lattice thermal conductivity of (PbTe)1-x/(PbSe)x nanodot superlattices (NDSLs) approaches the thermal conductivity of bulk homogenous PbTe1-x Sex alloys with the same average composition. On the other hand, I find that 3% of ErAs nanoparticles embedded in InGaAs is sufficient to scatter most of the phonons in InGaAs that have intermediate mean-free-paths, and thus reduces the thermal conductivity of InGaAs below the alloy limit. I find that scattering by nanoparticles approach the geometrical limit and can be readily accounted for by an additional boundary scattering which depends on the concentration of nanoparticles. Finally, I studied the thermal conductance of Au/Ti/Graphene/SiO 2 interfaces by TDTR. I find that heat transport across the interface is dominated by phonons. Even though graphene is only one atomic layer thick, graphene interfaces should be treated as two discrete interfaces instead of one diffuse interface in thermal analysis, suggesting that direct transmission of phonons from Au to SiO2 is negligible. My study is important for thermal management of graphene devices.
NASA Astrophysics Data System (ADS)
Kuzma, N. N.; Patton, B.; Raman, K.; Happer, W.
2002-03-01
NMR measurements of longitudinal relaxation times T1 in pure solid xenon were carried out using both natural-abundance and isotopically-enriched samples of hyperpolarized ^129Xe. At temperatures below 120 K and fields above 500 Gauss, the relaxation rate 1/T1 is field- and abundance-independent, consistent with the model of ^129Xe spin-flip Raman scattering of phonons(R. J. Fitzgerald et al.), Phys. Rev. B 59, 8795 (1999).. Above 120 K, vacancies invade the xenon lattice(P. R. Granfors et al.) Phys. Rev. B 24, 4753 (1981)., and a dramatic cross-over to the nuclear dipole-dipole relaxation due to the diffusion of vacancies is observed. As a result, the measured relaxation times of xenon near its melting point strongly depend on field and somewhat on ^129Xe abundance, and can be as short as several seconds, leading to potential difficulties in cryogenic applications of hyperpolarized ^129Xe. The data are analyzed using the theory of nuclear relaxation due to spin diffusion in cubic crystals(C. A. Sholl, J. Phys. C 21), 319 (1988)., and some estimates of the vacancy density and jump rates are discussed.
NASA Astrophysics Data System (ADS)
Krowne, Clifford M.
1983-05-01
The electron energy relaxation is studied as a function of the ``electron temperature'' Te in the n channel of a (100) surface silicon MOSFET (metal-oxide-semiconductor field-effect transistor) device by inspecting the phenomenological energy relaxation time τɛ(Te) at 4.2 °K, 77 °K, and 300 °K lattice temperatures. τɛ is theoretically calculated in order to determine the relative contributions of shear horizontal (SH), pressure-shear vertical (P-SV), shear vertical-pressure (SV-P), total reflection shear vertical pressure (TR), and Rayleigh (R) surface acoustic phonon modes to the electron energy relaxation at the interface. Two-dimensional electron transport is assumed and the effects of subbanding near the interface are included. Only electron scatter events within subbands are studied (intrasubband). This exhaustive study finds that surface modes do not dominate the electron energy relaxation at the Si-SiO2 interface at TL =4.2 °K. Some other mechanism(s) must predominate at TL =4.2 °K.
NASA Astrophysics Data System (ADS)
Yang, Fan; Dames, Chris
2015-04-01
The heating-frequency dependence of the apparent thermal conductivity in a semi-infinite body with periodic planar surface heating is explained by an analytical solution to the Boltzmann transport equation. This solution is obtained using a two-flux model and gray mean free time approximation and verified numerically with a lattice Boltzmann method and numerical results from the literature. Extending the gray solution to the nongray regime leads to an integral transform and accumulation-function representation of the phonon scattering spectrum, where the natural variable is mean free time rather than mean free path, as often used in previous work. The derivation leads to an approximate cutoff conduction similar in spirit to that of Koh and Cahill [Phys. Rev. B 76, 075207 (2007), 10.1103/PhysRevB.76.075207] except that the most appropriate criterion involves the heater frequency rather than thermal diffusion length. The nongray calculations are consistent with Koh and Cahill's experimental observation that the apparent thermal conductivity shows a stronger heater-frequency dependence in a SiGe alloy than in natural Si. Finally these results are demonstrated using a virtual experiment, which fits the phase lag between surface temperature and heat flux to obtain the apparent thermal conductivity and accumulation function.
NASA Astrophysics Data System (ADS)
Perrin, Bernard
2007-06-01
The conference PHONONS 2007 was held 15-20 July 2007 in the Conservatoire National des Arts et Métiers (CNAM) Paris, France. CNAM is a college of higher technology for training students in the application of science to industry, founded by Henri Grégoire in 1794. This was the 12th International Conference on Phonon Scattering in Condensed Matter. This international conference series, held every 3 years, started in France at Sainte-Maxime in 1972. It was then followed by meetings at Nottingham (1975), Providence (1979), Stuttgart (1983), Urbana-Champaign (1986), Heidelberg (1989), Ithaca (1992), Sapporo (1995), Lancaster (1998), Dartmouth (2001) and St Petersburg (2004). PHONONS 2007 was attended by 346 delegates from 37 different countries as follows: France 120, Japan 45, Germany 25, USA 25, Russia 21, Italy 13, Poland 9, UK 9, Canada 7, The Netherlands 7, Finland 6, Spain 6, Taiwan 6, Greece 4, India 4, Israel 4, Ukraine 4, Serbia 3, South Africa 3, Argentina 2, Belgium 2, China 2, Iran 2, Korea 2, Romania 2, Switzerland 2, and one each from Belarus, Bosnia-Herzegovina, Brazil, Bulgaria, Egypt, Estonia, Mexico, Moldova, Morocco, Saudi Arabia, Turkey. There were 5 plenary lectures, 14 invited talks and 84 oral contributions; 225 posters were presented during three poster sessions. The first plenary lecture was given by H J Maris who presented fascinating movies featuring the motion of a single electron in liquid helium. Robert Blick gave us a review on the new possibilities afforded by nanotechnology to design nano-electomechanical systems (NEMS) and the way to use them to study elementary and fundamental processes. The growing interest for phonon transport studies in nanostructured materials was demonstrated by Arun Majumdar. Andrey Akimov described how ultrafast acoustic solitons can monitor the optical properties of quantum wells. Finally, Maurice Chapellier told us how
Phonon Mapping in Flowing Equilibrium
NASA Astrophysics Data System (ADS)
Ruff, J. P. C.
2015-03-01
When a material conducts heat, a modification of the phonon population occurs. The equilibrium Bose-Einstein distribution is perturbed towards flowing-equilibrium, for which the distribution function is not analytically known. Here I argue that the altered phonon population can be efficiently mapped over broad regions of reciprocal space, via diffuse x-ray scattering or time-of-flight neutron scattering, while a thermal gradient is applied across a single crystal sample. When compared to traditional transport measurements, this technique offers a superior, information-rich new perspective on lattice thermal conductivity, wherein the band and momentum dependences of the phonon thermal current are directly resolved. The proposed method is benchmarked using x-ray thermal diffuse scattering measurements of single crystal diamond under transport conditions. CHESS is supported by the NSF & NIH/NIGMS via NSF Award DMR-1332208.
NASA Astrophysics Data System (ADS)
Nikoghossian, A. G.; Kapanadze, N. G.
2016-03-01
A group theoretical approach is developed for solving astrophysical radiative transfer problems described in a previous series of papers. Addition laws for observed radiative intensities are derived for the case in which atmospheres not only absorb and scatter radiation incident on them, but radiate themselves because of energy sources contained within them. As an illustration of the application of these laws, several special radiative transfer problems which we believe are of practical interest are discussed.
Otelaja, O. O.; Robinson, R. D.
2015-10-26
In this work, the mechanism for enhanced phonon backscattering in silicon is investigated. An understanding of phonon propagation through substrates has implications for engineering heat flow at the nanoscale, for understanding sources of decoherence in quantum systems, and for realizing efficient phonon-mediated particle detectors. In these systems, phonons that backscatter from the bottom of substrates, within the crystal or from interfaces, often contribute to the overall detector signal. We utilize a microscale phonon spectrometer, comprising superconducting tunnel junction emitters and detectors, to specifically probe phonon backscattering in silicon substrates (∼500 μm thick). By etching phonon “enhancers” or deep trenches (∼90 μm) around the detectors, we show that the backscattered signal level increases by a factor of ∼2 for two enhancers versus one enhancer. Using a geometric analysis of the phonon pathways, we show that the mechanism of the backscattered phonon enhancement is due to confinement of the ballistic phonon pathways and increased scattering off the enhancer walls. Our result is applicable to the geometric design and patterning of substrates that are employed in phonon-mediated detection devices.
NASA Astrophysics Data System (ADS)
Zhou, Huchuan; Kropelnicki, Piotr; Lee, Chengkuo
2014-12-01
Although significantly reducing the thermal conductivity of silicon nanowires has been reported, it remains a challenge to integrate silicon nanowires with structure materials and electrodes in the complementary metal-oxide-semiconductor (CMOS) process. In this paper, we investigated the thermal conductivity of nanometer-thick polycrystalline silicon (poly-Si) theoretically and experimentally. By leveraging the phonon-boundary scattering, the thermal conductivity of 52 nm thick poly-Si was measured as low as around 12 W mK-1 which is only about 10% of the value of bulk single crystalline silicon. The ZT of n-doped and p-doped 52 nm thick poly-Si was measured as 0.067 and 0.024, respectively, while most previously reported data had values of about 0.02 and 0.01 for a poly-Si layer with a thickness of 0.5 μm and above. Thermopile infrared sensors comprising 128 pairs of thermocouples made of either n-doped or p-doped nanometer-thick poly-Si strips in a series connected by an aluminium (Al) metal interconnect layer are fabricated using microelectromechanical system (MEMS) technology. The measured vacuum specific detectivity (D*) of the n-doped and p-doped thermopile infrared (IR) sensors are 3.00 × 108 and 1.83 × 108 cm Hz1/2 W-1 for sensors of 52 nm thick poly-Si, and 5.75 × 107 and 3.95 × 107 cm Hz1/2 W-1 for sensors of 300 nm thick poly-Si, respectively. The outstanding thermoelectric properties indicate our approach is promising for diverse applications using ultrathin poly-Si technology.Although significantly reducing the thermal conductivity of silicon nanowires has been reported, it remains a challenge to integrate silicon nanowires with structure materials and electrodes in the complementary metal-oxide-semiconductor (CMOS) process. In this paper, we investigated the thermal conductivity of nanometer-thick polycrystalline silicon (poly-Si) theoretically and experimentally. By leveraging the phonon-boundary scattering, the thermal conductivity of 52 nm
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.
Jana, R. N.; Sinha, S.; Meikap, A. K.
2015-05-15
We have reported a comprehensive study on temperature and disorder dependence of inelastic electron dephasing scattering rate in disordered V{sub 82}Al{sub 18-x}Fe{sub x} alloys. The dephasing scattering time has been measured by analysis of low field magnetoresistance using the weak localization theory. In absence of magnetic field the variation of low temperature resistivity rise follows the relation Δρ(T)∝−ρ{sub 0}{sup 5/2}√(T), which is well described by three-dimensional electron-electron interactions. The temperature-independent dephasing rate strongly depends on disorder and follows the relation τ{sub 0}{sup −1}∝l{sub e}, where l{sub e} is the electron elastic mean free path. The inelastic electron-phonon scattering rate obeying the anomalous relation τ{sub e−ph}{sup −1}∝T{sup 2}l{sub e}. This anomalous behavior of τ{sub e−ph}{sup −1} cannot be explained in terms of current theories for electron-phonon scattering in impure dirty conductors.
Jiang, P. P.; Zhang, X. L.; Chang, P.; Hu, Z. G. Bai, W.; Li, Y. W.; Chu, J. H.
2014-04-14
Optical phonons of multiferroic Bi{sub 4}Ti{sub 3}O{sub 12}-BiFeO{sub 3} ceramic have been investigated by low temperature Raman scattering and infrared reflectance spectra. Anomalies at about 85 K can be observed from the temperature dependence of the Raman and infrared modes, which arise from spin-phonon interaction during antiferromagnetic to paramagnetic phase transition. It was found that the change of exchange interaction in magnetic phase transition can be induced by Fe-O-Fe octahedral tilting driven from the A-site atoms. Moreover, ferroelectricity-related displacement of Bismuth atoms suggests the coupling of magnetic and ferroelectric orders.
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
Topologically protected elastic waves in phononic metamaterials
Mousavi, S. Hossein; Khanikaev, Alexander B.; Wang, Zheng
2015-01-01
Surface waves in topological states of quantum matter exhibit unique protection from backscattering induced by disorders, making them ideal carriers for both classical and quantum information. Topological matters for electrons and photons are largely limited by the range of bulk properties, and the associated performance trade-offs. In contrast, phononic metamaterials provide access to a much wider range of material properties. Here we demonstrate numerically a phononic topological metamaterial in an elastic-wave analogue of the quantum spin Hall effect. A dual-scale phononic crystal slab is used to support two effective spins for phonons over a broad bandwidth, and strong spin–orbit coupling is realized by breaking spatial mirror symmetry. By preserving the spin polarization with an external load or spatial symmetry, phononic edge states are shown to be robust against scattering from discrete defects as well as disorders in the continuum, demonstrating topological protection for phonons in both static and time-dependent regimes. PMID:26530426
Topologically protected elastic waves in phononic metamaterials.
Mousavi, S Hossein; Khanikaev, Alexander B; Wang, Zheng
2015-01-01
Surface waves in topological states of quantum matter exhibit unique protection from backscattering induced by disorders, making them ideal carriers for both classical and quantum information. Topological matters for electrons and photons are largely limited by the range of bulk properties, and the associated performance trade-offs. In contrast, phononic metamaterials provide access to a much wider range of material properties. Here we demonstrate numerically a phononic topological metamaterial in an elastic-wave analogue of the quantum spin Hall effect. A dual-scale phononic crystal slab is used to support two effective spins for phonons over a broad bandwidth, and strong spin-orbit coupling is realized by breaking spatial mirror symmetry. By preserving the spin polarization with an external load or spatial symmetry, phononic edge states are shown to be robust against scattering from discrete defects as well as disorders in the continuum, demonstrating topological protection for phonons in both static and time-dependent regimes. PMID:26530426
Engineering thermal conductance using a two-dimensional phononic crystal
Zen, Nobuyuki; Puurtinen, Tuomas A.; Isotalo, Tero J.; Chaudhuri, Saumyadip; Maasilta, Ilari J.
2014-01-01
Controlling thermal transport has become relevant in recent years. Traditionally, this control has been achieved by tuning the scattering of phonons by including various types of scattering centres in the material (nanoparticles, impurities, etc). Here we take another approach and demonstrate that one can also use coherent band structure effects to control phonon thermal conductance, with the help of periodically nanostructured phononic crystals. We perform the experiments at low temperatures below 1 K, which not only leads to negligible bulk phonon scattering, but also increases the wavelength of the dominant thermal phonons by more than two orders of magnitude compared to room temperature. Thus, phononic crystals with lattice constants ≥1 μm are shown to strongly reduce the thermal conduction. The observed effect is in quantitative agreement with the theoretical calculation presented, which accurately determined the ballistic thermal conductance in a phononic crystal device. PMID:24647049
Phononic and magnonic dispersions of surface waves on a permalloy/BARC nanostructured array
2013-01-01
Phononic and magnonic dispersions of a linear array of periodic alternating Ni80Fe20 and bottom anti-reflective coating nanostripes on a Si substrate have been measured using Brillouin light scattering. The observed phononic gaps are considerably larger than those of laterally patterned multi-component crystals previously reported, mainly a consequence of the high elastic and density contrasts between the stripe materials. Additionally, the phonon hybridization bandgap has an unusual origin in the hybridization and avoided crossing of the zone-folded Rayleigh and pseudo-Sezawa waves. The magnonic band structure features near-dispersionless branches, with unusual vortex-like dynamic magnetization profiles, some of which lie below the highly-dispersive fundamental mode branch. Finite element calculations of the phononic and magnonic dispersions of the magphonic crystal accord well with experimental data. PMID:23452555
Mao, Jun; Wang, Yumei; Ge, Binghui; Jie, Qing; Liu, Zihang; Saparamadu, Udara; Liu, Weishu; Ren, Zhifeng
2016-07-27
In this study, the thermoelectric properties of Mg2Sn0.98-xPbxSb0.02 were first studied, and then Mg2Sn0.93-xSixPb0.05Sb0.02 and Mg2Sn0.93-xGexPb0.05Sb0.02 were accordingly investigated. The results showed that the formation of Mg2Sn0.98-xPbxSb0.02 solid solutions effectively reduced the lattice thermal conductivity of Mg2Sn. The room temperature lattice thermal conductivity of Mg2Sn0.98Sb0.02 is ∼5.2 W m(-1) K(-1) but only ∼2.5 W m(-1) K(-1) for Mg2Sn0.73Pb0.25Sb0.02, a reduction of ∼52%. Further alloying Mg2Sn0.98-xPbxSb0.02 with Mg2Si or Mg2Ge to form Mg2Sn0.93-xSixPb0.05Sb0.02 or Mg2Sn0.93-xGexPb0.05Sb0.02 reduced the lattice thermal conductivity significantly due to enhanced phonon scattering by point defects as well as nanoparticles. Moreover, bipolar thermal conductivities were suppressed due to the larger bandgap of Mg2Si and Mg2Ge than Mg2Sn. Furthermore, similar to the pseudo-binary Mg2Sn-Mg2Si and Mg2Sn-Mg2Ge systems, band convergence was also observed in pseudo-ternary Mg2Sn0.93-xSixPb0.05Sb0.02 and Mg2Sn0.93-xGexPb0.05Sb0.02 materials. The convergence of conduction bands led to higher PFs at lower temperatures for Mg2Sn0.93-xSixPb0.05Sb0.02 and Mg2Sn0.93-xGexPb0.05Sb0.02 materials. As a result, higher peak ZTs of ∼1.3 for Mg2Sn0.63Si0.3Pb0.05Sb0.02 and ∼1.2 for Mg2Sn0.68Ge0.25Pb0.05Sb0.02 were achieved. PMID:27412367
NASA Astrophysics Data System (ADS)
He, Shixuan; Xie, Wanyi; Zhang, Wei; Zhang, Liqun; Wang, Yunxia; Liu, Xiaoling; Liu, Yulong; Du, Chunlei
2015-02-01
A novel strategy which combines iteratively cubic spline fitting baseline correction method with discriminant partial least squares qualitative analysis is employed to analyze the surface enhanced Raman scattering (SERS) spectroscopy of banned food additives, such as Sudan I dye and Rhodamine B in food, Malachite green residues in aquaculture fish. Multivariate qualitative analysis methods, using the combination of spectra preprocessing iteratively cubic spline fitting (ICSF) baseline correction with principal component analysis (PCA) and discriminant partial least squares (DPLS) classification respectively, are applied to investigate the effectiveness of SERS spectroscopy for predicting the class assignments of unknown banned food additives. PCA cannot be used to predict the class assignments of unknown samples. However, the DPLS classification can discriminate the class assignment of unknown banned additives using the information of differences in relative intensities. The results demonstrate that SERS spectroscopy combined with ICSF baseline correction method and exploratory analysis methodology DPLS classification can be potentially used for distinguishing the banned food additives in field of food safety.
He, Shixuan; Xie, Wanyi; Zhang, Wei; Zhang, Liqun; Wang, Yunxia; Liu, Xiaoling; Liu, Yulong; Du, Chunlei
2015-02-25
A novel strategy which combines iteratively cubic spline fitting baseline correction method with discriminant partial least squares qualitative analysis is employed to analyze the surface enhanced Raman scattering (SERS) spectroscopy of banned food additives, such as Sudan I dye and Rhodamine B in food, Malachite green residues in aquaculture fish. Multivariate qualitative analysis methods, using the combination of spectra preprocessing iteratively cubic spline fitting (ICSF) baseline correction with principal component analysis (PCA) and discriminant partial least squares (DPLS) classification respectively, are applied to investigate the effectiveness of SERS spectroscopy for predicting the class assignments of unknown banned food additives. PCA cannot be used to predict the class assignments of unknown samples. However, the DPLS classification can discriminate the class assignment of unknown banned additives using the information of differences in relative intensities. The results demonstrate that SERS spectroscopy combined with ICSF baseline correction method and exploratory analysis methodology DPLS classification can be potentially used for distinguishing the banned food additives in field of food safety. PMID:25300041
Zarkevich, Nikolai
2014-11-24
ThermoPhonon is a stand-alone code, which can be integrated into other software packages. Typically, it is used together with a density functional theory (DFT) code (such as VASP, Wien2k, AbInit, SIESTA) and a phonon code (such as Phonopy or Phon). The workflow is the following. Molecular dynamics (MD) in a supercell at a given temperature T is performed using another code. After sufficient equilibration, the output in the form of atomic positions and forces for a large number of selected MD steps is recorded into a file. If needed, one can modify this file by applying additional constraints, such as enforced crystal symmetry or subtracted motion of the center of mass. ThermoPhonon reads the file with atomic positions and forces and writes a new file with the force constants. Force constants can be used by another code (such as Phonopy or Phon) to produce phonon spectrum for plotting, in the assumption of known equilibrium atomic positions provided in a separate file.
2014-11-24
ThermoPhonon is a stand-alone code, which can be integrated into other software packages. Typically, it is used together with a density functional theory (DFT) code (such as VASP, Wien2k, AbInit, SIESTA) and a phonon code (such as Phonopy or Phon). The workflow is the following. Molecular dynamics (MD) in a supercell at a given temperature T is performed using another code. After sufficient equilibration, the output in the form of atomic positions and forces formore » a large number of selected MD steps is recorded into a file. If needed, one can modify this file by applying additional constraints, such as enforced crystal symmetry or subtracted motion of the center of mass. ThermoPhonon reads the file with atomic positions and forces and writes a new file with the force constants. Force constants can be used by another code (such as Phonopy or Phon) to produce phonon spectrum for plotting, in the assumption of known equilibrium atomic positions provided in a separate file.« less
A wrinkly phononic crystal slab
NASA Astrophysics Data System (ADS)
Bayat, Alireza; Gordaninejad, Faramarz
2015-03-01
The buckling induced surface instability is employed to propose a tunable phononic crystal slab composed of a stiff thin film bonded on a soft elastomer. Wrinkles formation is used to generate one-dimensional periodic scatterers at the surface of a finitely thick slab. Wrinkles' pattern change and corresponding stress is employed to control wave propagation triggered by a compressive strain. Simulation results show that the periodic wrinkly structure can be used as a transformative phononic crystal which can switch band diagram of the structure in a reversible behavior. Results of this study provide opportunities for the smart design of tunable switch and elastic wave filters at ultrasonic and hypersonic frequency ranges.
Phonon dynamics of americium telluride
NASA Astrophysics Data System (ADS)
Arya, B. S.; Aynyas, Mahendra; Ahirwar, Ashok K.; Sanyal, S. P.
2013-06-01
We report for the first time the complete phonon dispersion curves for Americium telluride (AmTe) using a breathing shell models (BSM) to establish their predominant ionic nature. The results obtained in the present study show the general features of the phonon spectrum. We could not compare our results with the experimental measurements as they are not available so far. We emphasize the need of neutron scattering measurements to compare our results. We also report, for the first time specific heat for this compound.
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.
Electron-phonon interaction effects in tantalum
Al-Lehaibi, A.; Swihart, J.C.; Butler, W.H.; Pinski, F.J.
1987-09-15
The results of calculations for a number of electron-phonon interaction effects for tantalum are presented. The calculations are based on Korringa-Kohn-Rostoker energy bands, Born--von Karman phonons, and the rigid-muffin-tin approximation for the electron-phonon matrix element. The calculated Eliashberg spectral function ..cap alpha../sup 2/F is compared with the earlier tunneling data of Shen and the proximity tunneling data of Wolf et al. The calculated and tunneling transverse-phonon peaks agree well, but the height of the tunneling longitudinal-phonon peak is smaller than the calculated results. The calculated electron-phonon coupling parameter lambda is 0.88, which is larger than the lambda determined from superconducting tunneling and superconducting T/sub c/ measurements, but is slightly smaller than the lambda determined from electronic specific-heat measurements. Calculated phonon linewidths along various symmetry directions are presented. The temperature dependence of the electrical resistivity due to phonon scattering is calculated in the lowest-order variational approximation and it agrees with experiment. The point-contact spectral function of Kulik, G(..omega..), is determined and compared with ..cap alpha../sup 2/F(..omega..). The agreement between calculated and measured electronic specific heat and high-temperature electrical resistivity gives strong support to the validity of the rigid-muffin-tin approximation for electron-phonon matrix elements.
Studies of Phonon Anharmonicity in Solids
NASA Astrophysics Data System (ADS)
Lan, Tian
Today our understanding of the vibrational thermodynamics of materials at low temperatures is emerging nicely, based on the harmonic model in which phonons are independent. At high temperatures, however, this understanding must accommodate how phonons interact with other phonons or with other excitations. We shall see that the phonon-phonon interactions give rise to interesting coupling problems, and essentially modify the equilibrium and non-equilibrium properties of materials, e.g., thermodynamic stability, heat capacity, optical properties and thermal transport of materials. Despite its great importance, to date the anharmonic lattice dynamics is poorly understood and most studies on lattice dynamics still rely on the harmonic or quasiharmonic models. There have been very few studies on the pure phonon anharmonicity and phonon-phonon interactions. The work presented in this thesis is devoted to the development of experimental and computational methods on this subject. Modern inelastic scattering techniques with neutrons or photons are ideal for sorting out the anharmonic contribution. Analysis of the experimental data can generate vibrational spectra of the materials, i.e., their phonon densities of states or phonon dispersion relations. We obtained high quality data from laser Raman spectrometer, Fourier transform infrared spectrometer and inelastic neutron spectrometer. With accurate phonon spectra data, we obtained the energy shifts and lifetime broadenings of the interacting phonons, and the vibrational entropies of different materials. The understanding of them then relies on the development of the fundamental theories and the computational methods. We developed an efficient post-processor for analyzing the anharmonic vibrations from the molecular dynamics (MD) calculations. Currently, most first principles methods are not capable of dealing with strong anharmonicity, because the interactions of phonons are ignored at finite temperatures. Our method adopts
NASA Astrophysics Data System (ADS)
Rury, Aaron S.
2016-06-01
This study reports experimental, computational, and theoretical evidence for a previously unobserved coherent phonon-phonon interaction in an organic solid that can be described by the application of Fano's analysis to a case without the presence of a continuum. Using Raman spectroscopy of the hydrogen-bonded charge-transfer material quinhydrone, two peaks appear near 700 cm-1 we assign as phonons whose position and line-shape asymmetry depend on the sample temperature and light scattering excitation energy. Density functional theory calculations find two nearly degenerate phonons possessing frequencies near the values found in experiment that share similar atomic motion out of the aromatic plane of electron donor and acceptor molecules of quinhydrone. Further analytical modeling of the steady-state light scattering process using the Peierls-Hubbard Hamiltonian and time-dependent perturbation theory motivates assignment of the physical origin of the asymmetric features of each peak's line shape to an interaction between two discrete phonons via nonlinear electron-phonon coupling. In the context of analytical model results, characteristics of the experimental spectra upon 2.33 eV excitation of the Raman scattering process are used to qualify the temperature dependence of the magnitude of this coupling in the valence band of quinhydrone. These results broaden the range of phonon-phonon interactions in materials in general while also highlighting the rich physics and fundamental attributes specific to organic solids that may determine their applicability in next generation electronics and photonics technologies.
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.
Chiral phonons at high-symmetry points in monolayer hexagonal lattices.
Zhang, Lifa; Niu, Qian
2015-09-11
In monolayer hexagonal lattices, the intravalley and intervalley scattering of electrons can involve chiral phonons at Brillouin-zone center and corners, respectively. At these high-symmetry points, there is a threefold rotational symmetry endowing phonon eigenmodes with a quantized pseudoangular momentum, which includes orbital and spin parts. Conservation of pseudoangular momentum yields selection rules for intravalley and intervalley scattering of electrons by phonons. Concrete predictions of helicity-resolved optical phenomena are made on monolayer molybdenum disulfide. The chiral phonons at Brillouin-zone corners excited by polarized photons can be detected by a valley phonon Hall effect. The chiral phonons, together with phonon circular polarization, phonon pseudoangular momentum, selection rules, and valley phonon Hall effect will extend the basis for valley-based electronics and phononics applications in the future. PMID:26406841
Chiral Phonons at High-Symmetry Points in Monolayer Hexagonal Lattices
NASA Astrophysics Data System (ADS)
Zhang, Lifa; Niu, Qian
2015-09-01
In monolayer hexagonal lattices, the intravalley and intervalley scattering of electrons can involve chiral phonons at Brillouin-zone center and corners, respectively. At these high-symmetry points, there is a threefold rotational symmetry endowing phonon eigenmodes with a quantized pseudoangular momentum, which includes orbital and spin parts. Conservation of pseudoangular momentum yields selection rules for intravalley and intervalley scattering of electrons by phonons. Concrete predictions of helicity-resolved optical phenomena are made on monolayer molybdenum disulfide. The chiral phonons at Brillouin-zone corners excited by polarized photons can be detected by a valley phonon Hall effect. The chiral phonons, together with phonon circular polarization, phonon pseudoangular momentum, selection rules, and valley phonon Hall effect will extend the basis for valley-based electronics and phononics applications in the future.
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.
Calculates Thermal Neutron Scattering Kernel.
1989-11-10
Version 00 THRUSH computes the thermal neutron scattering kernel by the phonon expansion method for both coherent and incoherent scattering processes. The calculation of the coherent part is suitable only for calculating the scattering kernel for heavy water.
NASA Astrophysics Data System (ADS)
Sasmal, Kalyan; Hadjiev, Viktor; Chu, C. W.(Paul)
Quaternary CaFeAsF has ZrCuSiAs-type structure,(RO)δ+ layer in RFeAsO replaced by (CaF)δ+ layer,with tetragonal (P4/nmm)-orthorhombic (Cmma) phase transition at 134K,while magnetic order,SDW sets in at 114K. Partial replacement of Fe with Co/Ni is direct electron doping to (FeAs)δ+ layer.Tc ~15K in CaFe0.9Ni0.1AsF.Substitution of rare earth metal for alkaline earth metal suppresses anomaly in resistivity & induces superconductivity.Tc ~52K in Ca0.5Pr0.5FeAsF.Characterized by resistivity, susceptibility,XRD & EDX-SEM.Upper critical field estimated from magneto resistance.Bulk superconductivity proved by DC magnetization. Hall coefficient RH revealed hole-like charge carriers in parent compound CaFeAsF, while electron-type (RH in normal state is -Ve) for Ca0.5Pr0.5FeAsF.Evolution of Raman active phonons of Ca1-xPrxFeAsF measured with polarized Raman spectroscopy at room temperature from absurfaces of impurity-free microcrystals.Spectra exhibit sharp phonon lines on very weak electronic scattering background.Frequency and symmetry of Raman phonons involving out-of-plane atomic vibrations are found at 162.5 cm-1 (A1 g, Pr), 201 cm-1 (A1 g, As), 215.5 cm-1 (B1 g, Fe), 265 cm-1 (Eg, Fe) and 334 cm-1 (B1 g, F) for Ca0.5Pr0.5FeAsF.Observations are compared with RFeAsO unconventional superconductors also possibly related to magnetic fluctuations
Lifetime of the phonons in the PLT ceramic
Barba-Ortega, J. Joya, M. R.; Londoño, F. A.
2014-11-05
The lifetimes at higher temperatures on lanthanum-modified lead titanate (PLT) are mainly due to the anharmonic decay of optical phonons into low-energy phonons. The temperature-independent contributions from inherent crystal defects and from boundary scattering become comparable to the phonon scattering contribution at lower temperatures. The thermal interaction is large at higher temperatures which decreases the phonon mean free path, and so the decay lifetime decreases as the temperature of the system is increased. This leads to the increased line width at higher temperatures. We made an estimate of the lifetimes for different concentrations and temperatures in PLT.
Geometrical tuning of thermal phonon spectrum in nanoribbons
NASA Astrophysics Data System (ADS)
Ramiere, Aymeric; Volz, Sebastian; Amrit, Jay
2016-03-01
Phonon spectral energy transmission in silicon nanoribbons is investigated using Monte-Carlo simulations in the boundary scattering regime by changing the length and width geometrical parameters. We show that the transition frequency from specular scattering to diffuse scattering is inversely proportional to the edge roughness σ with a geometry independent factor of proportionality. The increase of the length over width ratio \\zeta leads to a decrease of the energy transmission in the diffuse scattering regime which evolves as {{≤ft(1+{{\\zeta}0.59}\\right)}-1} . This trend is explained by developing a model of phonon energy transmission in the fully diffuse scattering regime which takes into account the probability for a diffusively scattered phonon to be directly transmitted from any position on the edge of the nanoribbon. This model establishes the importance of the solid angles in the energy transmission evolution with \\zeta . The transition from unity energy transmission in the specular scattering regime to reduced transmission in the diffuse scattering regime constitutes a low-pass frequency filter for phonons. Our simulations show an energy rejection rate better than 90% for high \\zeta , which paves the way for potential high performance filters. Filtering out high frequency phonons is of significant interest for phononic crystal applications, which use band engineering of phonons in the wave regime with low frequencies.
Phonons of the cis-polyacetylene chain
NASA Astrophysics Data System (ADS)
Faulques, Eric; Buisson, Jean-Pierre; Lefrant, Serge
1995-12-01
An investigation of the in-plane phonons of the cis-polyacetylene chain (CH)x and isotopic analogs (CD)x and (13CH)x is presented on the basis of a Fourier's dynamical D-matrix formalism. The conjugation is found to be similar to that of the trans-polyacetylene chain. Phonon dispersions have been calculated and follow the shapes predicted by Božović. Finally, the most interesting result is that phonon density of states exhibits van Hove singularities whose energies are close to those determined experimentally with incoherent inelastic neutron scattering.
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.
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 .
Ultrafast coupling of coherent phonons with a nonequilibrium electron-hole plasma in GaAs
NASA Astrophysics Data System (ADS)
Basak, Amlan Kumar; Petek, Hrvoje; Ishioka, Kunie; Thatcher, Evan M.; Stanton, Christopher J.
2015-03-01
We present a joint experimental theoretical study of the coupling of coherent phonons in bulk GaAs with a nonequilibrium electron-hole plasma following photoexcitation at the E1 gap by ultrafast laser pulses. In contrast to prior coherent phonon experiments where photoexcitation across the E0 gap generated electrons in the Γ valley, for the E1 gap excitation, the majority of the electrons are generated in the satellite L valleys. This leads to a drastically different situation from the previous studies because the damping of electrons is now faster due to the higher scattering rates in the L valley, and, in addition, the diffusion of carriers has a significant effect on the plasma response due to the shorter optical absorption depth of the pump-probe light. Reflectivity measurements show coherent phonon-plasmon oscillations, whose frequencies lie between the transverse and longitudinal optical phonon frequencies due to the heavy damping and change with time due to the diffusion of the plasma. We analyze the experimental data with a theoretical model that describes the time and density-dependent coupling of the coherent phonon and the electron-hole plasma as the photoexcited carriers diffuse into the sample on a subpicosecond time scale. The calculated phonon-plasmon dynamics qualitatively reproduce the experimentally observed time-dependent frequency.
Polarized and spatially resolved Raman scattering from composition-graded wurtzite InGaAs nanowires
NASA Astrophysics Data System (ADS)
Kim, H.; Rho, H.; Lee, E. H.; Song, J. D.
2016-05-01
We report Raman scattering from wurtzite single-crystalline InGaAs nanowires (NWs) to probe optical phonon behaviors associated with spatial grading in alloy composition along the NW length. Polarized Raman spectra revealed several optical phonons and their scattering symmetries: (i) InAs-like A 1(LO) and A 1(TO) phonons and (ii) GaAs-like A 1(LO), A 1(TO), and E 2(high) phonons. In addition, strong anisotropic behavior was observed in the Raman tensor elements of the A 1(TO) phonon mode. Interestingly, a spatial mapping of the GaAs-like A 1(TO) phonon along the NW length direction showed a systematic increase in energy from the NW top (~255 cm‑1) to the midpoint (~263 cm‑1), indicating an increase in the Ga mole fraction from about 0.5 to about 0.8. Further toward the NW bottom, the GaAs-like A 1(TO) phonon energy saturated to the peak value at about 264 cm‑1. In the upper half of the NW, the phonon linewidths broadened significantly due to the spatial grading in In/Ga composition along the NW length. When the composition grading was negligible in the bottom half of the NW, the spectral widths were considerably narrowed. The GaAs-like E 2(high) phonon showed similar variations in both energy and spectral width along the NW length.
Localization of phonon polaritons in disordered polar media.
Satanin, Arkady M; Joe, Yong S; Kim, Chang Sub; Vasilevskiy, Mikhail I
2005-12-01
The localization of the hybrid modes of phonons and photons in polar matter is investigated in the presence of random scatterers theoretically. We employ the self-consistent generalized Born-Huang approach to derive effective equations describing the phonon-polariton fields. Based on these equations, the density of states and various localization properties are exploited in two-dimensional systems both analytically and numerically within the framework of the Anderson model with a non-Hermitian effective Hamiltonian. Consequently, it is shown that the disorder effect brings some intriguing features which include the appearance of the localized states in the polariton bottleneck in the energy spectrum and the collapse of the energy gap. In addition, an analysis is given of the polariton level-spacing distribution. PMID:16486089
NASA Technical Reports Server (NTRS)
Smalheer, C. V.
1973-01-01
The chemistry of lubricant additives is discussed to show what the additives are chemically and what functions they perform in the lubrication of various kinds of equipment. Current theories regarding the mode of action of lubricant additives are presented. The additive groups discussed include the following: (1) detergents and dispersants, (2) corrosion inhibitors, (3) antioxidants, (4) viscosity index improvers, (5) pour point depressants, and (6) antifouling agents.
Mishra, S. K.; Gupta, M. K.; Mittal, R.; Kolesnikov, Alexander I.; Chaplot, S. L.
2016-06-22
Here, we report inelastic neutron scattering measurements over 7–1251 K in CaMnO3 covering various phase transitions, and over 6–150 K in PrMnO3 covering the magnetic transition. The excitations around 20 meV in CaMnO3 and at 17 meV in PrMnO3 at low temperatures are found to be associated with magnetic origin. We observe coherent magnetic neutron scattering in localized regions in reciprocal space and show it to arise from long-range correlated magnetic spin-waves below the magnetic transition temperature (TN) and short-range stochastic spin-spin fluctuations above TN. In spite of the similarity of the structure of the two compounds, the neutron inelasticmore » spectrum of PrMnO3 exhibits broad features at 150 K unlike well-defined peaks in the spectrum of CaMnO3. This might result from the difference in the nature of interactions in the two compounds (magnetic and Jahn-Teller distortion). Ab initio phonon calculations have been used to interpret the observed phonon spectra. The ab initio calculations at high pressures show that the variations of Mn-O distances are isotropic for CaMnO3 and highly anisotropic for PrMnO3. The calculation in PrMnO3 shows the suppression of Jahn-Teller distortion and simultaneous insulator-to-metal transition. It appears that this transition may not be associated with the occurrence of the tetragonal phase above 20 GPa as reported in the literature, since the tetragonal phase is found to be dynamically unstable, although it is found to be energetically favored over the orthorhombic phase above 20 GPa. CaMnO3 does not show any phase transition up to 60 GPa.« less
Mitri, F. G.
2015-09-15
The standard Resonance Scattering Theory (RST) of plane waves is extended for the case of any two-dimensional (2D) arbitrarily-shaped monochromatic beam incident upon an elastic cylinder with arbitrary location using an exact methodology based on Graf’s translational addition theorem for the cylindrical wave functions. The analysis is exact as it does not require numerical integration procedures. The formulation is valid for any cylinder of finite size and material that is immersed in a nonviscous fluid. Partial-wave series expansions (PWSEs) for the incident, internal and scattered linear pressure fields are derived, and the analysis is further extended to obtain generalized expressions for the on-axis and off-axis acoustic radiation force components. The wave-fields are expressed using generalized PWSEs involving the beam-shape coefficients (BSCs) and the scattering coefficients of the cylinder. The off-axial BSCs are expressed analytically in terms of an infinite PWSE with emphasis on the translational offset distance d. Numerical computations are considered for a zeroth-order quasi-Gaussian beam chosen as an example to illustrate the analysis. Acoustic resonance scattering directivity diagrams are calculated by subtracting an appropriate background from the expression of the scattered pressure field. In addition, computations for the radiation force exerted on an elastic cylinder centered on the axis of wave propagation of the beam, and shifted off-axially are analyzed and discussed.
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
Leman, Steven W
2012-09-01
This review discusses detector physics and Monte Carlo techniques for cryogenic, radiation detectors that utilize combined phonon and ionization readout. A general review of cryogenic phonon and charge transport is provided along with specific details of the Cryogenic Dark Matter Search detector instrumentation. In particular, this review covers quasidiffusive phonon transport, which includes phonon focusing, anharmonic decay, and isotope scattering. The interaction of phonons in the detector surface is discussed along with the downconversion of phonons in superconducting films. The charge transport physics include a mass tensor which results from the crystal band structure and is modeled with a Herring-Vogt transformation. Charge scattering processes involve the creation of Neganov-Luke phonons. Transition-edge-sensor (TES) simulations include a full electric circuit description and all thermal processes including Joule heating, cooling to the substrate, and thermal diffusion within the TES, the latter of which is necessary to model normal-superconducting phase separation. Relevant numerical constants are provided for these physical processes in germanium, silicon, aluminum, and tungsten. Random number sampling methods including inverse cumulative distribution function (CDF) and rejection techniques are reviewed. To improve the efficiency of charge transport modeling, an additional second order inverse CDF method is developed here along with an efficient barycentric coordinate sampling method of electric fields. Results are provided in a manner that is convenient for use in Monte Carlo and references are provided for validation of these models. PMID:23020355
Leman, Steven W.
2012-09-15
This review discusses detector physics and Monte Carlo techniques for cryogenic, radiation detectors that utilize combined phonon and ionization readout. A general review of cryogenic phonon and charge transport is provided along with specific details of the Cryogenic Dark Matter Search detector instrumentation. In particular, this review covers quasidiffusive phonon transport, which includes phonon focusing, anharmonic decay, and isotope scattering. The interaction of phonons in the detector surface is discussed along with the downconversion of phonons in superconducting films. The charge transport physics include a mass tensor which results from the crystal band structure and is modeled with a Herring-Vogt transformation. Charge scattering processes involve the creation of Neganov-Luke phonons. Transition-edge-sensor (TES) simulations include a full electric circuit description and all thermal processes including Joule heating, cooling to the substrate, and thermal diffusion within the TES, the latter of which is necessary to model normal-superconducting phase separation. Relevant numerical constants are provided for these physical processes in germanium, silicon, aluminum, and tungsten. Random number sampling methods including inverse cumulative distribution function (CDF) and rejection techniques are reviewed. To improve the efficiency of charge transport modeling, an additional second order inverse CDF method is developed here along with an efficient barycentric coordinate sampling method of electric fields. Results are provided in a manner that is convenient for use in Monte Carlo and references are provided for validation of these models.
NASA Astrophysics Data System (ADS)
Leman, Steven W.
2012-09-01
This review discusses detector physics and Monte Carlo techniques for cryogenic, radiation detectors that utilize combined phonon and ionization readout. A general review of cryogenic phonon and charge transport is provided along with specific details of the Cryogenic Dark Matter Search detector instrumentation. In particular, this review covers quasidiffusive phonon transport, which includes phonon focusing, anharmonic decay, and isotope scattering. The interaction of phonons in the detector surface is discussed along with the downconversion of phonons in superconducting films. The charge transport physics include a mass tensor which results from the crystal band structure and is modeled with a Herring-Vogt transformation. Charge scattering processes involve the creation of Neganov-Luke phonons. Transition-edge-sensor (TES) simulations include a full electric circuit description and all thermal processes including Joule heating, cooling to the substrate, and thermal diffusion within the TES, the latter of which is necessary to model normal-superconducting phase separation. Relevant numerical constants are provided for these physical processes in germanium, silicon, aluminum, and tungsten. Random number sampling methods including inverse cumulative distribution function (CDF) and rejection techniques are reviewed. To improve the efficiency of charge transport modeling, an additional second order inverse CDF method is developed here along with an efficient barycentric coordinate sampling method of electric fields. Results are provided in a manner that is convenient for use in Monte Carlo and references are provided for validation of these models.
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
Phonon limited superconducting correlations in metallic nanograins
NASA Astrophysics Data System (ADS)
Croitoru, M. D.; Shanenko, A. A.; Vagov, A.; Milošević, M. V.; Axt, V. M.; Peeters, F. M.
2015-11-01
Conventional superconductivity is inevitably suppressed in ultra-small metallic grains for characteristic sizes smaller than the Anderson limit. Experiments have shown that above the Anderson limit the critical temperature may be either enhanced or reduced when decreasing the particle size, depending on the superconducting material. In addition, there is experimental evidence that whether an enhancement or a reduction is found depends on the strength of the electron-phonon interaction in the bulk. We reveal how the strength of the e-ph interaction interplays with the quantum-size effect and theoretically obtain the critical temperature of the superconducting nanograins in excellent agreement with experimental data. We demonstrate that strong e-ph scattering smears the peak structure in the electronic density-of-states of a metallic grain and enhances the electron mass, and thereby limits the highest Tc achievable by quantum confinement.
Phonon limited superconducting correlations in metallic nanograins
Croitoru, M. D.; Shanenko, A. A.; Vagov, A.; Milošević, M. V.; Axt, V. M.; Peeters, F. M.
2015-01-01
Conventional superconductivity is inevitably suppressed in ultra-small metallic grains for characteristic sizes smaller than the Anderson limit. Experiments have shown that above the Anderson limit the critical temperature may be either enhanced or reduced when decreasing the particle size, depending on the superconducting material. In addition, there is experimental evidence that whether an enhancement or a reduction is found depends on the strength of the electron-phonon interaction in the bulk. We reveal how the strength of the e-ph interaction interplays with the quantum-size effect and theoretically obtain the critical temperature of the superconducting nanograins in excellent agreement with experimental data. We demonstrate that strong e-ph scattering smears the peak structure in the electronic density-of-states of a metallic grain and enhances the electron mass, and thereby limits the highest Tc achievable by quantum confinement. PMID:26565073
Origin of reduction in phonon thermal conductivity of microporous solids
NASA Astrophysics Data System (ADS)
Hopkins, Patrick E.; Rakich, Peter T.; Olsson, Roy H.; El-kady, Ihab F.; Phinney, Leslie M.
2009-10-01
Porous structures have strong tunable size effects due to increased surface area. Size effects on phonon thermal conductivity have been observed in porous materials with periodic voids on the order of microns. This letter explores the origin of this size effect on phonon thermal conductivity observed in periodic microporous membranes. Pore-edge boundary scattering of low frequency phonons explains the temperature trends in the thermal conductivity; further reduction in thermal conductivity is explained by the porosity.
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
Pressure-enabled phonon engineering in metals.
Lanzillo, Nicholas A; Thomas, Jay B; Watson, Bruce; Washington, Morris; Nayak, Saroj K
2014-06-17
We present a combined first-principles and experimental study of the electrical resistivity in aluminum and copper samples under pressures up to 2 GPa. The calculations are based on first-principles density functional perturbation theory, whereas the experimental setup uses a solid media piston-cylinder apparatus at room temperature. We find that upon pressurizing each metal, the phonon spectra are blue-shifted and the net electron-phonon interaction is suppressed relative to the unstrained crystal. This reduction in electron-phonon scattering results in a decrease in the electrical resistivity under pressure, which is more pronounced for aluminum than for copper. We show that density functional perturbation theory can be used to accurately predict the pressure response of the electrical resistivity in these metals. This work demonstrates how the phonon spectra in metals can be engineered through pressure to achieve more attractive electrical properties. PMID:24889627
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.
Addition of missing loops and domains to protein models by x-ray solution scattering.
Petoukhov, Maxim V; Eady, Nigel A J; Brown, Katherine A; Svergun, Dmitri I
2002-01-01
Inherent flexibility and conformational heterogeneity in proteins can often result in the absence of loops and even entire domains in structures determined by x-ray crystallographic or NMR methods. X-ray solution scattering offers the possibility of obtaining complementary information regarding the structures of these disordered protein regions. Methods are presented for adding missing loops or domains by fixing a known structure and building the unknown regions to fit the experimental scattering data obtained from the entire particle. Simulated annealing was used to minimize a scoring function containing the discrepancy between the experimental and calculated patterns and the relevant penalty terms. In low-resolution models where interface location between known and unknown parts is not available, a gas of dummy residues represents the missing domain. In high-resolution models where the interface is known, loops or domains are represented as interconnected chains (or ensembles of residues with spring forces between the C(alpha) atoms), attached to known position(s) in the available structure. Native-like folds of missing fragments can be obtained by imposing residue-specific constraints. After validation in simulated examples, the methods have been applied to add missing loops or domains to several proteins where partial structures were available. PMID:12496082
Thermal neutron scattering in graphite
NASA Astrophysics Data System (ADS)
Al-Qasir, Iyad Ibrahim
Generation IV Very High Temperature Reactor (VHTR) concepts, are graphite moderated and gas cooled thermal spectrum reactors. The characteristics of the low energy (E < 1 eV) neutron spectrum in these reactors will be dictated by the process of neutron slowing-down and thermalization in the graphite moderator. The ability to accurately predict this process in these reactors can have significant neutronic and safety implications. In reactor design calculations, thermal neutron scattering cross section libraries are needed for the prediction of the thermal neutron environment in the core. Currently used libraries (ENDF/B-VII) are a product of the 1960s and remain based on many physical approximations. In addition, these libraries show noticeable discrepancies with experimental data. In this work, investigation of thermal neutron scattering in graphite as a function of temperature was performed. The fundamental input for the calculation of thermal neutron scattering cross sections, i.e., the phonon frequency distribution and/or the dispersion relations, was generated using a modern approach that is based on quantum mechanical electronic structure (ab initio) simulations combined with a lattice dynamics direct method supercell approach. The calculations were performed using the VASP and PHONON codes. The VASP calculations used the local density approximation, and the projector augmented-wave pseudopotential. A supercell of 144 atoms was used; and the integration over the Brillouin zone was confined to a 3x3x4 k-mesh generated by the Monkhorst-Pack scheme. A plane-wave basis set with an energy cutoff of 500 eV was applied. The corresponding dispersion relations, heat capacity, and phonon frequency distribution show excellent agreement with experimental data. Despite the use of the above techniques to produce more accurate input data, the examination of the results indicated persistence of the inconsistencies between calculations and measurements at neutron energies
Acoustic phonon spectrum and thermal transport in nanoporous alumina arrays
Kargar, Fariborz; Ramirez, Sylvester; Debnath, Bishwajit; Malekpour, Hoda; Lake, Roger; Balandin, Alexander A.
2015-10-28
We report results of a combined investigation of thermal conductivity and acoustic phonon spectra in nanoporous alumina membranes with the pore diameter decreasing from D=180 nm to 25 nm. The samples with the hexagonally arranged pores were selected to have the same porosity Ø ≈13%. The Brillouin-Mandelstam spectroscopy measurements revealed bulk-like phonon spectrum in the samples with D=180-nm pores and spectral features, which were attributed to spatial confinement, in the samples with 25-nm and 40-nm pores. The velocity of the longitudinal acoustic phonons was reduced in the samples with smaller pores. As a result, analysis of the experimental data and calculated phonon dispersion suggests that both phonon-boundary scattering and phonon spatial confinement affect heat conduction in membranes with the feature sizes D<40 nm.
Acoustic phonon spectrum and thermal transport in nanoporous alumina arrays
Kargar, Fariborz; Ramirez, Sylvester; Debnath, Bishwajit; Malekpour, Hoda; Lake, Roger; Balandin, Alexander A.
2015-10-28
We report results of a combined investigation of thermal conductivity and acoustic phonon spectra in nanoporous alumina membranes with the pore diameter decreasing from D=180 nm to 25 nm. The samples with the hexagonally arranged pores were selected to have the same porosity Ø ≈13%. The Brillouin-Mandelstam spectroscopy measurements revealed bulk-like phonon spectrum in the samples with D=180-nm pores and spectral features, which were attributed to spatial confinement, in the samples with 25-nm and 40-nm pores. The velocity of the longitudinal acoustic phonons was reduced in the samples with smaller pores. As a result, analysis of the experimental data andmore » calculated phonon dispersion suggests that both phonon-boundary scattering and phonon spatial confinement affect heat conduction in membranes with the feature sizes D<40 nm.« less
Intervalley scattering of electrons by short-wave phonons in (GaAs)8(AlAs)8(001) superlattice
NASA Astrophysics Data System (ADS)
Grinyaev, S. N.; Nikitina, L. N.; Tyuterev, V. G.
2016-05-01
Intervalley transitions induced by short-wavelength phonons in the conduction band of a superlattice (GaAs)8(AlAs)8(001) are investigated on the basis of the pseudopotential method and in the phenomenological model of interatomic forces. The main attention in the study centers around the transitions associated with the vibrations confined inside the layers. It is shown that the deformation potentials for the majority of intervalley transitions in a superlattice exceed the potentials of corresponding transitions in the binary crystals because of the localization of atomic displacements and wavefunctions of electrons inside the same layer of the superlattice. The bottom of the conduction band in (GaAs)8(AlAs)8(001) superlattice corresponds to the states Γ1(1), Z3, M1, M4 originating from sphalerite's X bar valleys localized in AlAs layers. Transitions between them are the most intense ones and they are caused by optical vibrations of Al atoms. "Semi-interface" vibrations being mainly localized in the one side of the GaAs layer are involved in the Γ1(2) -X1 , Γ1(2) -R1 and X1-Z1 transitions which are analogs of Γ bar - L bar transitions in binaries. The transitions Γ1(2) -M1 and Γ1(2) -M4 are governed by smooth parts of wave-functions and pseudopotentials. As a consequence their intensities are comparable with those of Γ bar - X bar sphalerite transitions in spite that these states are localized in the different layers of the superlattice.
Wong, Joe; Krisch, M.; Farber, D.; Occelli, F.; Schwartz, A.; Chiang, T.C.; Wall, M.; Boro, C.; Xu, Ruqing
2010-11-16
Plutonium (Pu) is well known to have complex and unique physico-chemical properties. Notably, the pure metal exhibits six solid-state phase transformations with large volume expansions and contractions along the way to the liquid state: {alpha} {yields} {beta} {yields} {gamma} {yields} {delta} {yields} {delta}{prime} {yields} {var_epsilon} {yields} liquid. Unalloyed Pu melts at a relatively low temperature {approx}640 C to yield a higher density liquid than that of the solid from which it melts, (Figure 1). Detailed understanding of the properties of plutonium and plutonium-based alloys is critical for the safe handling, utilization, and long-term storage of these important, but highly toxic materials. However, both technical and and safety issues have made experimental observations extremely difficult. Phonon dispersion curves (PDCs) are key experimenta l data to the understanding of the basic properties of Pu materials such as: force constants, sound velocities, elastic constants, thermodynamics, phase stability, electron-phonon coupling, structural relaxation, etc. However, phonon dispersion curves (PDCs) in plutonium (Pu) and its alloys have defied measurement for the past few decades since the discovery of this element in 1941. This is due to a combination of the high thermal-neutron absorption cross section of plutonium and the inability to grow the large single crystals (with dimensions of a few millimeters) necessary for inelastic neutron scattering. Theoretical simulations of the Pu PDC continue to be hampered by the lack of suitable inter -atomic potentials. Thus, until recently the PDCs for Pu and its alloys have remained unknown experimentally and theoretically. The experimental limitations have recently been overcome by using a tightly focused undulator x-ray micro-beam scattered from single -grain domains in polycrystalline specimens. This experimental approach has been applied successfully to map the complete PDCs of an fcc d-Pu-Ga alloy using the
Raman Scattering from Solid and Fluid Helium at High Pressure
NASA Astrophysics Data System (ADS)
Watson, George Henry, Jr.
Raman spectra were measured in solid helium at two molar volumes: 7.74 cm('3) ("10 kbar") and 9.06 cm('3) ("5 kbar"). The Raman-active E(,2g) phonon has been observed in the hcp phase of each crystal. The volume dependence measured for this phonon frequency is well represented by the mode Gruneisen parameter (gamma) = 1.06 + 0.097 V. Conventional lattice dynamics, using modern helium potentials, predicts a frequency and volume dependence for the E(,2g) phonon in good agreement with the measurements over this range of volume. Temperature dependence of the E(,2g) phonon frequency and linewidth was measured under isochoric conditions. Over the limited range of temperature in which the hcp phase exists, the thermal shift of frequency was measured to be negative by an amount no more than 1 cm('-1). The phonon linewidth was observed to be non-zero at 0 K, increasing in width with increasing temperature. The temperature dependence is compatible with a strong interaction between the E(,2g) phonon and zone-edge phonons, where the optical phonon combines with a transverse acoustic phonon to create a longitudinal acoustic phonon. In addition, second-order Raman spectra were collected for both high-pressure solid phases, hcp and fcc. Structure has been observed in the two-phonon portion of the solid helium spectra and is remarkably similar in both phases. Significant intensity extends beyond the expected cut-off for two-phonon processes, though to a decreasing extent with increasing pressure. Thus multi-phonon processes remain important in helium even at high pressure. Raman scattering from dense fluid helium shows clear departure from the behavior of collision-induced scattering from the more classical fluids. Even at room temperature, a departure from the usual roughly-exponential behavior is observed at low frequency in helium at high pressure. The departure becomes even more pronounced near the freezing temperature, with a dramatic reduction in low-frequency intensity
Measurement and control of electron-phonon interactions in graphene
NASA Astrophysics Data System (ADS)
Remi, Sebastian
Despite the weak interaction between electrons and atomic vibrations (phonons) in the one-atom thick crystal of carbon called graphene, the scattering of electrons off phonons limits coherent electron transport in pristine devices over mesoscopic length scales. The future of graphene as a replacement to silicon and other materials in advanced electronic devices will depend on the success of controlling and optimizing electronic transport. In this dissertation, we explore the electron-phonon interaction via Raman scattering, elucidating the effects of filling and emptying charge states on the phonons in both the metallic state and when levels are quantized by an applied perpendicular magnetic field. In zero magnetic field, the phonon energy shifts due to electronic screening by charge carriers. Previously, a logarithmic divergence of the phonon energy was predicted as a function of the charge carrier density. For the first time, we observe signatures of this logarithmic divergence at liquid He temperatures after vacuum annealing on single layers. We also measure the electron-phonon coupling strength, Fermi velocity, and broadening of electronic quantum levels from Raman scattering and correlate these parameters to electronic transport. In a strong perpendicular magnetic field, the energy bands split into discrete Landau levels. Here, we observe kinks and splitting of the optical phonon energy, even when the Landau level transitions are far from resonant with the phonons. We discover that the kinks are attributed to charge filling of Landau levels, as understood from a linearized model based on electron-phonon interactions. Moreover, we show that material parameters determined without magnetic fields also describe phonon behavior in high magnetic fields.
Exciton-Phonon Interaction Effects in II-Vi Compound Semiconductor Quantum Wells
NASA Astrophysics Data System (ADS)
Pelekanos, Nikolaos Themelis
1992-01-01
In this thesis, we report on two specific examples of exciton-LO phonon Frohlich interaction effects, namely, hot carrier relaxation and temperature dependent exciton linewidth broadening. These phenomena are considered in the context of quasi-two dimensional excitons in strongly polar II-VI semiconductor quantum wells. Hot-exciton luminescence phenomena are investigated in a single quantum well of ZnTe/MnTe where tunneling through thin MnTe barrier layers suppresses the formation of thermalized luminescence. For near resonant photoexcitation, the secondary emission spectrum is modulated by distinct LO-phonon peaks, which, for sufficiently high order of scattering ( >=4), behave like hot luminescence (HPL) as opposed to resonant Raman scattering. This is confirmed by time-resolved spectroscopy as well as by steady-state characteristics such as linewidth broadening and lack of polarization memory. Several novel observations are made: (1) The LO-phonon intermediated energy relaxation involves Coulomb-correlated pairs, i.e. hot excitons, as opposed to independently-relaxing free electrons and holes. (2) The additional weak disorder originating from QW thickness fluctuations plays a major role in the details of the HPL spectra. The major contribution to the ground state exciton linewidth at room temperature originates from LO phonon -intermediated exciton scattering to higher exciton states. A measure of the effect is given by the parameter Gamma_{LO} which increases with the polarity of the material and is independent of dimensionality provided that the LO phonon energy is greater than the exciton binding energy. Measurements of Gamma_{LO} are performed in two quantum well systems: CdTe/MnTe and (Zn,Cd)Se/ZnSe. In the latter system, a strong reduction of Gamma _{LO} is observed as the quantum well width becomes comparable to the three-dimensional exciton Bohr radius. This is explained in terms of a model where quasi-2D confinement effects increase the exciton binding
NASA Astrophysics Data System (ADS)
Robinson, Richard; Otelaja, Obafemi; Hertzberg, Jared; Aksit, Mahmut; Stewart, Derek
2013-03-01
Phonons are the dominant heat carriers in dielectrics and a clear understanding of their behavior at the nanoscale is important for the development of efficient thermoelectric devices. In this work we show how acoustic phonon transport can be directly probed by the generation and detection of non-equilibrium phonons in microscale and nanoscale structures. Our technique employs a scalable method of fabricating phonon generators and detectors by forming Al-AlxOy-Al superconducting tunnel junctions on the sidewalls of a silicon mesa etched with KOH and an operating temperature of 0.3K. In the line-of-sight path along the width of these mesas, phonons with frequency ~100 GHz can propagate ballistically The phonons radiate into the mesa and are observed by the detector after passing through the mesa. We fabricated silicon nanosheets of width 100 to 300 nm along the ballistic path and observe surface scattering effects on phonon transmission when the characteristic length scale of a material is less than the phonon mean free path. We compare our results to the Casimir-Ziman theory. Our methods can be adapted for studying phonon transport in other nanostructures and will improve the understanding of phonon contribution to thermal transport. The work was supported in part by the National Science Foundation under Agreement No. DMR-1149036.
Pressure-dependent Raman scattering and photoluminescence of Zn1-xCdxSe epilayers
NASA Astrophysics Data System (ADS)
Lin, Y. C.; Chiu, C. H.; Fan, W. C.; Yang, S. L.; Chuu, D. S.; Chou, W. C.
2007-04-01
Raman and photoluminescence spectra of cubic Zn1-xCdxSe (0≦x≦0.32) epilayers were obtained at high pressure. The impurity mode I observed in the phonon Raman spectra at low temperature confirms the intermediate phonon mode behavior. A split transverse optical phonon mode was found in the down-stroke high-pressure Raman scattering. Additionally, the pressure-dependent longitudinal optical (LO) phonon frequencies and the Grüneisen parameter (γLO) were obtained by quadratic polynomial fitting. Pressure-driven resonant Raman scattering effect was observed in samples with a high Cd concentration (x≧0.18). The critical pressure of semiconductor-to-metal phase transition (Pt) decreases as the Cd content increases. As the Cd concentration increases from 0 to 0.32, Pt falls from 13.6to9.4GPa, according to Pt (GPa)=13.6-6.8x-20.3x2.
Thermal transport in phononic crystals: The role of zone folding effect
NASA Astrophysics Data System (ADS)
Dechaumphai, Edward; Chen, Renkun
2012-04-01
Recent experiments [Yu et al., Nature Nanotech 5, 718 (2010); Tang et al., Nano Lett. 10, 4279 (2010); Hopkins etal., Nano Lett. 11, 107(2011)] on silicon based nanoscale phononic crystals demonstrated substantially reduced thermal conductivity compared to bulk Si, which cannot be explained by incoherent phonon boundary scattering within the Boltzmann Transport Equation (BTE). In this paper, partial coherent treatment of phonons, where phonons are regarded as either wave or particles depending on their frequencies, was considered. Phonons with mean free path smaller than the characteristic size of phononic crystals are treated as particles and the transport in this regime is modeled by BTE with phonon boundary scattering taken into account. On the other hand, phonons with mean free path longer than the characteristic size are treated as waves. In this regime, phonon dispersion relations are computed using the Finite Difference Time Domain (FDTD) method and are found to be modified due to the zone folding effect. The new phonon spectra are then used to compute phonon group velocity and density of states for thermal conductivity modeling. Our partial coherent model agrees well with the recent experimental results on in-plane thermal conductivity of phononic crystals. Our study highlights the importance of zone folding effect on thermal transport in phononic crystals.
Sano, Hiroyuki; Yanagitani, Takahiko; Takayanagi, Shinji; Sugimoto, Takeshi; Matsukawa, Mami
2013-05-01
To overcome the low accuracy of acoustic velocity measurements based on Brillouin scattering from thermal phonons, we attempted to utilize induced coherent phonons, which cause intense Brillouin scattering. A ZnO piezoelectric film was used to induce gigahertz-range coherent phonons in a silica glass block sample. An evanescent electromagnetic wave leaked from a coaxial resonator was applied into the film to excite phonons. The scattered light obtained using this simple system was much more intense than that obtained from thermal phonons. This technique will improve the accuracy and reduce the measurement time. PMID:23661120
Towards a microscopic understanding of the phonon bottleneck
Garanin, D. A.
2007-03-01
The problem of the phonon bottleneck in the relaxation of two-level systems (spins) to a narrow group of resonant phonons via emission-absorption processes is investigated from first principles. It is shown that the kinetic approach based on the Pauli master equation is invalid because of the narrow distribution of the phonons exchanging their energy with the spins. This results in a long-memory effect that can be best taken into account by introducing an additional dynamical variable corresponding to the nondiagonal matrix elements responsible for spin-phonon correlation. The resulting system of dynamical equations describes the phonon-bottleneck plateau in the spin excitation, as well as a gap in the spin-phonon spectrum, for any finite concentration of spins. On the other hand, it does not accurately render the line shape of emitted phonons and still needs improving.
NASA Astrophysics Data System (ADS)
Scheikh Obeid, A.; Aslanidou, S.; Birkhan, J.; Krugmann, A.; vonÂ Neumann-Cosel, P.; Pietralla, N.; Poltoratska, I.; Ponomarev, V. Yu.
2014-03-01
Background: The B (E2) transition strength to the 22+ state in 94Zr was initially reported to be larger by a factor of 1.63 than the one to the 21+ state from lifetime measurements with the Doppler-shift attenuation method using the (n,n'γ) reaction [Elhami et al., Phys. Rev. C 75, 011301(R) (2007), 10.1103/PhysRevC.75.011301]. This surprising behavior was recently revised in a new measurement by the same group using the same experimental technique leading to a ratio below unity as expected in vibrational nuclei. Purpose: The goal is an independent determination of the ratio of B (E2) strengths for the transitions to the 21,2+ states of 94Zr with inelastic electron scattering. Method: The relative population of the 21,2+ states in the (e,e') reaction was measured at the S-DALINAC in a momentum transfer range q =0.17-0.51 fm-1 and analyzed in plane-wave Born approximation with the method described by Scheikh Obeid et al. [Phys. Rev. C 87, 014337 (2013), 10.1103/PhysRevC.87.014337]. Results: The extracted B (E2) strength ratio of 0.789(43) between the excitation of the 21+ and 22+ states of 94Zr is consistent with but more precise than the latest (n,n'γ) experiment. Using the B (E2) transition strength to the first excited state from the literature a value of 3.9(9) Weisskopf units is deduced for the B (E2;22+→01+) transition. Conclusions: The electron scattering result independently confirms the latest interpretation of the different (n,n'γ) results for the transition to the 22+ state in 94Zr.
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.
First Principles Modeling of Phonon Heat Conduction in Nanoscale Crystalline Structures
Sandip Mazumder; Ju Li
2010-06-30
The inability to remove heat efficiently is currently one of the stumbling blocks toward further miniaturization and advancement of electronic, optoelectronic, and micro-electro-mechanical devices. In order to formulate better heat removal strategies and designs, it is first necessary to understand the fundamental mechanisms of heat transport in semiconductor thin films. Modeling techniques, based on first principles, can play the crucial role of filling gaps in our understanding by revealing information that experiments are incapable of. Heat conduction in crystalline semiconductor films occurs by lattice vibrations that result in the propagation of quanta of energy called phonons. If the mean free path of the traveling phonons is larger than the film thickness, thermodynamic equilibrium ceases to exist, and thus, the Fourier law of heat conduction is invalid. In this scenario, bulk thermal conductivity values, which are experimentally determined by inversion of the Fourier law itself, cannot be used for analysis. The Boltzmann Transport Equation (BTE) is a powerful tool to treat non-equilibrium heat transport in thin films. The BTE describes the evolution of the number density (or energy) distribution for phonons as a result of transport (or drift) and inter-phonon collisions. Drift causes the phonon energy distribution to deviate from equilibrium, while collisions tend to restore equilibrium. Prior to solution of the BTE, it is necessary to compute the lifetimes (or scattering rates) for phonons of all wave-vector and polarization. The lifetime of a phonon is the net result of its collisions with other phonons, which in turn is governed by the conservation of energy and momentum during the underlying collision processes. This research project contributed to the state-of-the-art in two ways: (1) by developing and demonstrating a calibration-free simple methodology to compute intrinsic phonon scattering (Normal and Umklapp processes) time scales with the inclusion
Parsons, L. C. Andrews, G. T.
2014-07-21
Brillouin light scattering experiments and optical reflectance measurements were performed on a pair of porous silicon-based optical Bragg mirrors which had constituent layer porosity ratios close to unity. For off-axis propagation, the phononic and photonic band structures of the samples were modeled as a series of intersecting linear dispersion curves. Zone-folding was observed for the longitudinal bulk acoustic phonon and the frequency of the probed zone-folded longitudinal phonon was shown to be dependent on the propagation direction as well as the folding order of the mode branch. There was no conclusive evidence of coupling between the transverse and the folded longitudinal modes. Two additional observed Brillouin peaks were attributed to the Rayleigh surface mode and a possible pseudo-surface mode. Both of these modes were dispersive, with the velocity increasing as the wavevector decreased.
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.
Resonant squeezing and the anharmonic decay of coherent phonons
NASA Astrophysics Data System (ADS)
Fahy, Stephen; Murray, Éamonn D.; Reis, David A.
2016-04-01
We show that the anharmonic decay of large-amplitude coherent phonons in a solid generates strongly enhanced squeezing of the phonon modes near points of the Brillouin zone where energy conservation in the three-phonon decay process is satisfied. The squeezing process leads to temporal oscillations of the mean-square displacement of target modes in resonance with the coherent phonon, which are characteristic of coherent phonon decay and do not occur in the decay of a phonon in a well-defined number state. For realistic material parameters of optically excited group-V semimetals, we predict that this squeezing results in strongly enhanced oscillations of the x-ray diffuse scattering intensity at sharply defined values of the x-ray momentum transfer. Numerical simulations of the phonon dynamics and the x-ray diffuse scattering in optically excited bismuth, using harmonic and anharmonic force parameters calculated with constrained density functional theory, demonstrate oscillations of the diffuse scattering intensity of magnitude 10%-20% of the thermal background at points of the Brillouin zone, where resonance occurs. Such oscillations should be observable using time-resolved optical-pump and x-ray-probe facilities available at current x-ray free-electron laser sources.
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
Phononic filter effect of rattling phonons in the thermoelectric clathrate Ba8Ge40+xNi6-x
NASA Astrophysics Data System (ADS)
Euchner, H.; Pailhès, S.; Nguyen, L. T. K.; Assmus, W.; Ritter, F.; Haghighirad, A.; Grin, Y.; Paschen, S.; de Boissieu, M.
2012-12-01
One of the key requirements for good thermoelectric materials is a low lattice thermal conductivity. Here we present a combined neutron scattering and theoretical investigation of the lattice dynamics in the type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We observe a strong hybridization between phonons of the Ba guest atoms and acoustic phonons of the Ge-Ni host structure over a wide region of the Brillouin zone, which is in contrast with the frequently adopted picture of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong decrease of the acoustic phonon lifetime, which contradicts the usual assumption of strong anharmonic phonon-phonon scattering processes. Within the framework of ab initio density-functional theory calculations we interpret these hybridizations as a series of anticrossings which act as a low-pass filter, preventing the propagation of acoustic phonons. To highlight the effect of such a phononic low-pass filter on the thermal transport, we compute the contribution of acoustic phonons to the thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge and a Ge46 empty-cage model system.
Volodin, V. A.; Sachkov, V. A.; Sinyukov, M. P.
2015-05-15
The angular anisotropy of interface phonons and their interaction with optical phonons in (001) GaAs/AlAs superlattices are calculated and experimentally studied. Experiments were performed by Raman light scattering in different scattering geometries for phonons with the wave vector directed normally to the superlattice and along its layers. Phonon frequencies were calculated by the extended Born method taking the Coulomb interaction into account in the rigid-ion approximation. Raman scattering spectra were calculated in the Volkenshtein bond-polarizability approximation. Calculations confirmed that the angular anisotropy of phonons observed in experiments appears due to interaction (mixing) of optical phonons, in which atoms are mainly displaced normally to superlattices, with interface phonons (TO-IF modes). In the scattering geometry, when the wave vector lies in the plane of superlattice layers, the mixed TO-IF modes are observed under nonresonance conditions. The Raman spectra for TO-IF modes depend on the mixing of atoms at heteroboundaries.
Electron-phonon coupling and thermal transport in the thermoelectric compound Mo3Sb7–xTex
Bansal, Dipanshu; Li, Chen W.; Said, Ayman H.; Abernathy, Douglas L.; Yan, Jiaqiang; Delaire, Olivier A.
2015-12-07
Phonon properties of Mo3Sb7–xTex (x = 0, 1.5, 1.7), a potential high-temperature thermoelectric material, have been studied with inelastic neutron and x-ray scattering, and with first-principles simulations. The substitution of Te for Sb leads to pronounced changes in the electronic struc- ture, local bonding, phonon density of states (DOS), dispersions, and phonon lifetimes. Alloying with tellurium shifts the Fermi level upward, near the top of the valence band, resulting in a strong suppression of electron-phonon screening, and a large overall stiffening of interatomic force- constants. The suppression in electron-phonon coupling concomitantly increases group velocities and suppresses phonon scattering rates, surpassingmore » the effects of alloy-disorder scattering, and re- sulting in a surprising increased lattice thermal conductivity in the alloy. We also identify that the local bonding environment changes non-uniformly around different atoms, leading to variable perturbation strengths for different optical phonon branches. The respective roles of changes in phonon group velocities and phonon lifetimes on the lattice thermal conductivity are quantified. Lastly, our results highlight the importance of the electron-phonon coupling on phonon mean-free-paths in this compound, and also estimates the contributions from boundary scattering, umklapp scattering, and point-defect scattering.« less
NASA Astrophysics Data System (ADS)
Goel, Prabhatasree; Gupta, M. K.; Mittal, R.; Rols, S.; Achary, S. N.; Tyagi, A. K.; Chaplot, S. L.
2015-03-01
Lattice dynamics and high-pressure phase transitions in A W O4 (A =Ba ,Sr ,Ca , and Pb ) have been investigated using inelastic neutron scattering experiments, ab initio density functional theory calculations, and extensive molecular dynamics simulations. The vibrational modes that are internal to W O4 tetrahedra occur at the highest energies consistent with the relative stability of W O4 tetrahedra. The neutron data and the ab initio calculations are found to be in excellent agreement. The neutron and structural data are used to develop and validate an interatomic potential model. The model is used for classical molecular dynamics simulations to study their response to high pressure. We have calculated the enthalpies of the scheelite and fergusonite phases as a function of pressure, which confirms that the scheelite to fergusonite transition is second order in nature. With increase in pressure, there is a gradual change in the A O8 polyhedra, while there is no apparent change in the W O4 tetrahedra. We found that all the four tungstates amorphize at high pressure. This is in good agreement with available experimental observations which show amorphization at around 45 GPa in BaW O4 and 40 GPa in CaW O4 . Further molecular dynamics simulations at high pressure and high temperature indicate that application of pressure at higher temperature hastens the process of amorphization. On amorphization, there is an abrupt increase in the coordination of the W atom while the bisdisphenoids around the A atom are considerably distorted. The pair-correlation functions of the various atom pairs corroborate these observations. Our observations aid in predicting the pressure of amorphization in SrW O4 and PbW O4 .
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.
Phonon Limited Performance of III-V Nanowire Transistors
NASA Astrophysics Data System (ADS)
Gilbert, M. J.; Ferry, D. K.
2006-05-01
We use a fully self-consistent three-dimensional quantum mechanical transport formalism to examine the performance of InAs based quantum wire transistors both in the ballistic limit and with phonon scattering included. We present a method for the inclusion of polar optical phonon scattering as a real-space self-energy term. We find that the ballistic performance of the devices can be recovered if the dopants in the system are kept away from the channel entrance and exit. When dopants are present at these key points, we find that the altered carrier energy, particularly in the source, has a significant impact on the device. This ballistic recovery is aided by the fact that at higher energies, polar optical phonon scattering loses its non-locality which leads to a reduced scattering rate in these confined systems.
Phonon-induced polariton superlattices.
de Lima, M M; van der Poel, M; Santos, P V; Hvam, J M
2006-07-28
We show that the coherent interaction between microcavity polaritons and externally stimulated acoustic phonons forms a tunable polariton superlattice with a folded energy dispersion determined by the phonon population and wavelength. Under high phonon concentration, the strong confinement of the optical and excitonic polariton components in the phonon potential creates weakly coupled polariton wires with a virtually flat energy dispersion. PMID:16907587
Molding Phonon Flow with Symmetry: Rational Design of Hypersonic Phononic Crystals
NASA Astrophysics Data System (ADS)
Koh, Cheong Yang; Thomas, Edwin L.
2009-03-01
Phononic crystals structured at appropriate length scales allow control over the flow of phonons, leading to new possibilities in applications such as heat-management, sound isolation and even energy transfer and conversion. Symmetry provides a unified framework for the interpretation 1D to 3D phononic band structures, allowing utilization of a common set of principles for designing band structures of phononic crystals as well as actual purposeful defects such as waveguide location and boundary termination in finite devices. In this work, we explore the band structure properties of phononic crystals with non-symmorphic space groups, as well as those having quasi-crystalline approximants. We demonstrate gap opening abilities from both anti-crossing and Bragg scattering, as well as unique features like ``sticking'' bands. Symmetry concepts are also powerful means to tune the density of states of the structures. Importantly, we fabricate various theoretical designs and measure their experimental dispersion diagrams for comparison with theoretical calculation. This affords an elegant approach toward a design blueprint for fabricating phononic structures for applications such as opto-acoustic coupling.
NASA Astrophysics Data System (ADS)
Zhu, Taishan; Ertekin, Elif
2015-05-01
The physics of thermal transport on strained, two-dimensional (2D) materials graphene, boron nitride, and their superlattices is analyzed by molecular dynamics, lattice dynamics, and numerical solutions to Boltzmann transport equation. The thermal conductivity of these materials is found to be highly sensitive to tensile strain, and the strain dependence itself is also highly dependent on the sample total length. Both finite-sized systems (varying from ˜100 to 300 nm long) as well as infinitely long systems are considered. In contrast to the typical reduction of thermal conductivity with strain exhibited by bulk 3D materials, the thermal conductivity initially increases to a peak value, after which it then decreases with further strain. Modal decomposition of the phonon spectrum shows that the nonmonotonic behavior arises from a competition between in-plane softening and flexural stiffening of phonons. The length sensitivity arises from the nature of the linear/quadratic dispersion of the in-plane/flexural modes and their distinct scattering selection rules: longer systems favor out-of-plane flexural phonon stiffening while smaller systems favor in-plane phonon softening. Additionally, we show that this competition occurs in concert with a strain-induced transition in the nature of the phonon flow from ballistic dominant to diffusive dominant. Overall these effects give rise to a complex dependence of thermal conductivity on strain and sample size.
Interaction of Thermal Phonons with Interfaces
David H. Hurley; Subhash Shinde; Edward Piekos
2013-11-01
In this chapter we will first explore the connection between interface scattering and thermal transport using the Boltzmann transport equation (BTE). It will be shown that Boltzmann transport provides a convenient method for considering boundary scattering in nanochannel structures. For internal interfaces such as grain boundaries found in polycrystals, it is more natural to consider transmission and reflection across a single boundary. In this regard we will discuss theories related to interface thermal resistance. Our qualitative discussion of the theories of phonon transport will be followed by a discussion of experimental techniques for measuring thermal transport. We end this chapter by giving a detailed description of two complimentary experimental techniques for measuring the influence of interfaces on thermal phonon transport.
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.
Phonon confinement in Ge nanocrystals in silicon oxide matrix
NASA Astrophysics Data System (ADS)
Jie, Yiaxiong; Wee, A. T. S.; Huan, C. H. A.; Shen, Z. X.; Choi, W. K.
2011-02-01
Spherical Ge nanocrystals well-dispersed in amorphous silicon oxide matrix have been synthesized with different sizes, and significant size-dependent Raman shift and broadening have been observed. The lattice constant of Ge nanocrystals well-bonded to silicon oxide matrix has been characterized nearly size-independent. With our proposed stress generation and relaxation mechanisms, stress effects in our samples have been analyzed to be insignificant with respect to phonon confinement effects. The phenomenological model introduced by [Richter, Wang, and Ley, Solid State Commun. 39, 625 (1981] with Gaussian weighting function and TO2 phonon dispersion function has been found to give a quite good description of the measured size-dependence of Raman shift and broadening. A 3-peak fitting method has been proposed to determine Ge nanocrystal size and film crystallinity. After physically quantizing quantum-confined one-dimensional elastic waves, we have deduced that each quantum-confined phonon possesses an instantaneous momentum of a given magnitude ℏk with an equal chance of being either positive or negative and momentum conservation is retained in an electron-phonon scattering process. Therefore, on the basis of the first-principle microscopic model and our experimental results, we deduced that Raman scattering in spherical nanocrystals is a concurrent two-phonon process, one phonon generation and one phonon transition.
Direct visualization of the Gouy phase by focusing phonon polaritons.
Feurer, T; Stoyanov, Nikolay S; Ward, David W; Nelson, Keith A
2002-06-24
We report the generation of aberration-free cylindrical phonon-polariton wave packets in uniaxial LiTaO3 crystals by nonresonant impulsive stimulated Raman scattering. The unique properties of phonon polaritons with a typical carrier frequency in the THz regime allow direct measurement of the spatiotemporal amplitude and phase distributions. We demonstrate that under these conditions the phase anomaly (Gouy phase) may be visualized directly through spatiotemporal imaging as the cylindrical wave propagates through its focus. PMID:12097128
Influence of pulse width and detuning on coherent phonon generation
NASA Astrophysics Data System (ADS)
Nakamura, Kazutaka G.; Shikano, Yutaka; Kayanuma, Yosuke
2015-10-01
We investigated the coherent phonon generation mechanism by irradiation of an ultrashort pulse with a simple two-level model. Our derived formulation shows that both impulsive stimulated Raman scattering (ISRS) and impulsive absorption (IA) simultaneously occur, and phonon wave packets are generated in the electronic ground and excited states by ISRS and IA, respectively. We identify the dominant process from the amplitude of the phonon oscillation. For short pulse widths, ISRS is very small and becomes larger as the pulse width increases. We also show that the initial phase is dependent on the pulse width and the detuning.
Broadband sound blocking in phononic crystals with rotationally symmetric inclusions.
Lee, Joong Seok; Yoo, Sungmin; Ahn, Young Kwan; Kim, Yoon Young
2015-09-01
This paper investigates the feasibility of broadband sound blocking with rotationally symmetric extensible inclusions introduced in phononic crystals. By varying the size of four equally shaped inclusions gradually, the phononic crystal experiences remarkable changes in its band-stop properties, such as shifting/widening of multiple Bragg bandgaps and evolution to resonance gaps. Necessary extensions of the inclusions to block sound effectively can be determined for given incident frequencies by evaluating power transmission characteristics. By arraying finite dissimilar unit cells, the resulting phononic crystal exhibits broadband sound blocking from combinational effects of multiple Bragg scattering and local resonances even with small-numbered cells. PMID:26428816
Phonon hydrodynamics and its applications in nanoscale heat transport
NASA Astrophysics Data System (ADS)
Guo, Yangyu; Wang, Moran
2015-09-01
Phonon hydrodynamics is an effective macroscopic method to study heat transport in dielectric solid and semiconductor. It has a clear and intuitive physical picture, transforming the abstract and ambiguous heat transport process into a concrete and evident process of phonon gas flow. Furthermore, with the aid of the abundant models and methods developed in classical hydrodynamics, phonon hydrodynamics becomes much easier to implement in comparison to the current popular approaches based on the first-principle method and kinetic theories involving complicated computations. Therefore, it is a promising tool for studying micro- and nanoscale heat transport in rapidly developing micro and nano science and technology. However, there still lacks a comprehensive account of the theoretical foundations, development and implementation of this approach. This work represents such an attempt in providing a full landscape, from physical fundamental and kinetic theory of phonons to phonon hydrodynamics in view of descriptions of phonon systems at microscopic, mesoscopic and macroscopic levels. Thus a systematical kinetic framework, summing up so far scattered theoretical models and methods in phonon hydrodynamics as individual cases, is established through a frame of a Chapman-Enskog solution to phonon Boltzmann equation. Then the basic tenets and procedures in implementing phonon hydrodynamics in nanoscale heat transport are presented through a review of its recent wide applications in modeling thermal transport properties of nanostructures. Finally, we discuss some pending questions and perspectives highlighted by a novel concept of generalized phonon hydrodynamics and possible applications in micro/nano phononics, which will shed more light on more profound understanding and credible applications of this new approach in micro- and nanoscale heat transport science.
Ballistic phonon production in photoexcited Ge, GaAs, and Si
NASA Astrophysics Data System (ADS)
Msall, M. E.; Wolfe, J. P.
2002-05-01
Phonon imaging and photoluminescence measurements are used to determine the frequency and spatial distribution of optically generated nonequilibrium phonons in Si, Ge, and GaAs at 1.7 K. At low excitation levels the thermalization of photoexcited carriers and the subsequent phonon down-conversion produce a broad frequency distribution of acoustic phonons that ``quasidiffuse'' in the crystal. These phonons produce a temporally broad heat pulse when detected at a distance from the excitation point. At moderate excitation levels (typically a 10-nS pulse with a power density of ~20 W/mm2), the laser pulse produces a dense electron-hole plasma that can radically change the frequency distribution of nonequilibrium phonons. The plasma is a potentially rich source of low-frequency acoustic phonons, characterized by a temporally sharp heat pulse at a remote detector. The fraction of low-frequency phonons in the heat pulses is smallest in the direct-gap semiconductor GaAs, where rapid recombination depletes the populations of electrons and holes in just a few nanoseconds. More noticeable low frequency phonon components are seen in heat pulses in the indirect-gap semiconductors Ge and Si. At sufficiently high excitation densities (~60 W/mm2) in Ge, there is a suppression of the low-frequency phonon signal, which may result from phonon absorption within a cloud of electron hole droplets. An interesting alternative hypothesis is that the acoustic phonons created in the plasma are sufficiently dense to initiate phonon coalescence, whereby phonons are localized by phonon-phonon scattering over a relatively long period (500 ns). This localized ``hot spot'' could provide the phonon wind that drives the initial rapid expansion of the electron-hole plasma into the crystal.
Coherent Acoustic Phonons in Colloidal Semiconductor Nanocrystal Superlattices.
Poyser, Caroline L; Czerniuk, Thomas; Akimov, Andrey; Diroll, Benjamin T; Gaulding, E Ashley; Salasyuk, Alexey S; Kent, Anthony J; Yakovlev, Dmitri R; Bayer, Manfred; Murray, Christopher B
2016-01-26
The phonon properties of films fabricated from colloidal semiconductor nanocrystals play a major role in thermal conductance and electron scattering, which govern the principles for building colloidal-based electronics and optics including thermoelectric devices with a high ZT factor. The key point in understanding the phonon properties is to obtain the strength of the elastic bonds formed by organic ligands connecting the individual nanocrystallites. In the case of very weak bonding, the ligands become the bottleneck for phonon transport between infinitively rigid nanocrystals. In the opposite case of strong bonding, the colloids cannot be considered as infinitively rigid beads and the distortion of the superlattice caused by phonons includes the distortion of the colloids themselves. We use the picosecond acoustics technique to study the acoustic coherent phonons in superlattices of nanometer crystalline CdSe colloids. We observe the quantization of phonons with frequencies up to 30 GHz. The frequencies of quantized phonons depend on the thickness of the colloidal films and possess linear phonon dispersion. The measured speed of sound and corresponding wave modulus in the colloidal films point on the strong elastic coupling provided by organic ligands between colloidal nanocrystals. PMID:26696021
Phonovoltaic. I. Harvesting hot optical phonons in a nanoscale p -n junction
NASA Astrophysics Data System (ADS)
Melnick, Corey; Kaviany, Massoud
2016-03-01
The phonovoltaic (pV) cell is similar to the photovoltaic. It harvests nonequilibrium (hot) optical phonons (Ep ,O) more energetic than the band gap (Δ Ee ,g) to generate power in a p-n junction. We examine the theoretical electron-phonon and phonon-phonon scattering rates, the Boltzmann transport of electrons, and the diode equation and hydrodynamic simulations to describe the operation of a pV cell and develop an analytic model predicting its efficiency. Our findings indicate that a pV material with Ep ,O≃Δ Ee ,g≫kBT , where kBT is the thermal energy, and a strong interband electron-phonon coupling surpasses the thermoelectric limit, provided the optical phonon population is excited in a nanoscale cell, enabling the ensuing local nonequilibrium. Finding and tuning a material with these properties is challenging. In Paper II [C. Melnick and M. Kaviany, Phys. Rev. B 93, 125203 (2016), 10.1103/PhysRevB.93.125203], we tune the band gap of graphite within density functional theory through hydrogenation and the application of isotropic strains. The band gap is tuned to resonate with its energetic optical phonon modes and calculate the ab initio electron-phonon and phonon-phonon scattering rates. While hydrogenation degrades the strong electron-phonon coupling in graphene such that the figure of merit vanishes, we outline the methodology for a continued material search.
Orbitally-driven giant phonon anharmonicity in SnSe
Li, Chen W.; Hong, Jiawang; May, Andrew F.; Bansal, Dipanshu; Chi, Songxue; Hong, Tao; Ehlers, Georg; Delaire, Olivier A.
2015-10-19
We understand that elementary excitations and their couplings in condensed matter systems is critical to develop better energy-conversion devices. In thermoelectric materials, the heat-to-electricity conversion efficiency is directly improved by suppressing the propagation of phonon quasiparticles responsible for macroscopic thermal transport. The material with the current record for thermoelectric conversion efficiency, SnSe, achieves an ultra-low thermal conductivity, but the mechanism enabling this strong phonon scattering remains largely unknown. Using inelastic neutron scattering measurements and first-principles simulations, we mapped the four-dimensional phonon dispersion surfaces of SnSe, and revealed the origin of ionic-potential anharmonicity responsible for the unique properties of SnSe. We show that the giant phonon scattering arises from an unstable electronic structure, with orbital interactions leading to a ferroelectric-like lattice instability. Our results provide a microscopic picture connecting electronic structure and phonon anharmonicity in SnSe, and offers precious insights on how electron-phonon and phononphonon interactions may lead to the realization of ultra-low thermal conductivity.
Electron-phonon coupling in hybrid lead halide perovskites.
Wright, Adam D; Verdi, Carla; Milot, Rebecca L; Eperon, Giles E; Pérez-Osorio, Miguel A; Snaith, Henry J; Giustino, Feliciano; Johnston, Michael B; Herz, Laura M
2016-01-01
Phonon scattering limits charge-carrier mobilities and governs emission line broadening in hybrid metal halide perovskites. Establishing how charge carriers interact with phonons in these materials is therefore essential for the development of high-efficiency perovskite photovoltaics and low-cost lasers. Here we investigate the temperature dependence of emission line broadening in the four commonly studied formamidinium and methylammonium perovskites, HC(NH2)2PbI3, HC(NH2)2PbBr3, CH3NH3PbI3 and CH3NH3PbBr3, and discover that scattering from longitudinal optical phonons via the Fröhlich interaction is the dominant source of electron-phonon coupling near room temperature, with scattering off acoustic phonons negligible. We determine energies for the interacting longitudinal optical phonon modes to be 11.5 and 15.3 meV, and Fröhlich coupling constants of ∼40 and 60 meV for the lead iodide and bromide perovskites, respectively. Our findings correlate well with first-principles calculations based on many-body perturbation theory, which underlines the suitability of an electronic band-structure picture for describing charge carriers in hybrid perovskites. PMID:27225329
Electron–phonon coupling in hybrid lead halide perovskites
Wright, Adam D.; Verdi, Carla; Milot, Rebecca L.; Eperon, Giles E.; Pérez-Osorio, Miguel A.; Snaith, Henry J.; Giustino, Feliciano; Johnston, Michael B.; Herz, Laura M.
2016-01-01
Phonon scattering limits charge-carrier mobilities and governs emission line broadening in hybrid metal halide perovskites. Establishing how charge carriers interact with phonons in these materials is therefore essential for the development of high-efficiency perovskite photovoltaics and low-cost lasers. Here we investigate the temperature dependence of emission line broadening in the four commonly studied formamidinium and methylammonium perovskites, HC(NH2)2PbI3, HC(NH2)2PbBr3, CH3NH3PbI3 and CH3NH3PbBr3, and discover that scattering from longitudinal optical phonons via the Fröhlich interaction is the dominant source of electron–phonon coupling near room temperature, with scattering off acoustic phonons negligible. We determine energies for the interacting longitudinal optical phonon modes to be 11.5 and 15.3 meV, and Fröhlich coupling constants of ∼40 and 60 meV for the lead iodide and bromide perovskites, respectively. Our findings correlate well with first-principles calculations based on many-body perturbation theory, which underlines the suitability of an electronic band-structure picture for describing charge carriers in hybrid perovskites. PMID:27225329
Orbitally-driven giant phonon anharmonicity in SnSe
Li, Chen W.; Hong, Jiawang; May, Andrew F.; Bansal, Dipanshu; Chi, Songxue; Hong, Tao; Ehlers, Georg; Delaire, Olivier A.
2015-10-19
We understand that elementary excitations and their couplings in condensed matter systems is critical to develop better energy-conversion devices. In thermoelectric materials, the heat-to-electricity conversion efficiency is directly improved by suppressing the propagation of phonon quasiparticles responsible for macroscopic thermal transport. The material with the current record for thermoelectric conversion efficiency, SnSe, achieves an ultra-low thermal conductivity, but the mechanism enabling this strong phonon scattering remains largely unknown. Using inelastic neutron scattering measurements and first-principles simulations, we mapped the four-dimensional phonon dispersion surfaces of SnSe, and revealed the origin of ionic-potential anharmonicity responsible for the unique properties of SnSe. Wemore » show that the giant phonon scattering arises from an unstable electronic structure, with orbital interactions leading to a ferroelectric-like lattice instability. Our results provide a microscopic picture connecting electronic structure and phonon anharmonicity in SnSe, and offers precious insights on how electron-phonon and phononphonon interactions may lead to the realization of ultra-low thermal conductivity.« less
Dimensional dependence of phonon transport in freestanding atomic layer systems
NASA Astrophysics Data System (ADS)
Kim, Duckjong; Hwangbo, Yun; Zhu, Lijing; Mag-Isa, Alexander E.; Kim, Kwang-Seop; Kim, Jae-Hyun
2013-11-01
property in terms of thermal conduction by using Raman spectroscopy. From the difference in susceptibility to substrate effect, size effect on hot-spot temperature variation and layer number dependence of thermal conductivity, we show that the graphitic membranes with 2 or more layers have characteristics similar to 3-dimensional graphite, which are very different from those of 2-dimensional graphene membranes. This implies that the scattering of out-of-plane phonons by interlayer atomic coupling could be a key mechanism governing the intrinsic thermal property. Electronic supplementary information (ESI) available: Additional figures and table on the sample preparation and the investigation of the PMMA residue on the graphene surface. See DOI: 10.1039/c3nr04000c
Comparative study of the two-phonon Raman bands of silicene and graphene
NASA Astrophysics Data System (ADS)
Popov, Valentin N.; Lambin, Philippe
2016-06-01
We present a computational study of the two-phonon Raman spectra of silicene and graphene within a density-functional non-orthogonal tight-binding model. Due to the presence of linear bands close to the Fermi energy in the electronic structure of both structures, the Raman scattering by phonons is resonant. We find that the Raman spectra exhibit a crossover behavior for laser excitation close to the π-plasmon energy. This phenomenon is explained by the disappearance of certain paths for resonant Raman scattering and the appearance of other paths beyond this energy. Besides that, the electronic joint density of states (DOS) is divergent at this energy, which is reflected on the behavior of the Raman bands of the two structures in a qualitatively different way. Additionally, a number of Raman bands, originating from divergent phonon DOS at the M point and at points, inside the Brillouin zone, is also predicted. The calculated spectra for graphene are in excellent agreement with available experimental data. The obtained Raman bands can be used for structural characterization of silicene and graphene samples by Raman spectroscopy.
Hassan, P A; Fritz, Gerhard; Kaler, Eric W
2003-01-01
The structures of aggregates formed in aqueous solutions of an anionic surfactant, sodium dodecyl sulfate (SDS), with the addition of a cationic hydrotropic salt, p-toluidine hydrochloride (PTHC), have been investigated by small angle neutron scattering (SANS). The SANS spectra exhibit a pronounced peak at low salt concentration, indicating the presence of repulsive intermicellar interactions. Model-independent real space information about the structure is obtained from a generalized indirect Fourier transformation (GIFT) technique in combination with a suitable model for the interparticle structure factor. The interparticle interaction is captured using the rescaled mean spherical approximation (RMSA) closure relation and a Yukawa form of the interaction potential. Further quantification of the geometrical parameters of the micelles was achieved by a complete fit of the SANS data using a prolate ellipsoidal form factor and the RMSA structure factor. The present study shows that PTHC induces a decrease in the fractional charge of the micelles due to adsorption at the micellar surface and consequent growth of the SDS micelles from nearly globular to rodlike as the concentration of PTHC increases. PMID:16256467
Ding, F.; Xu, Y; Azzi, A; Zhu, D; Rehse, D; Chen, C; Sun, S; Lin, S
2010-01-01
Annexin B1 (AnxB1) is a calcium-dependent phospholipid binding protein from Taenia solium cysticercus and has been reported to possess anticoagulant activity, to inhibit phospholipase A{sub 2}, and to regulate membrane transport. Native AnxB1 and its selenomethionyl derivative have been overproduced in Escherichia coli and purified. The results of dynamic light scattering analysis showed that Hepes buffer combined with low concentration salts (NaCl or CaCl{sub 2}) was beneficial for preventing aggregation and for AnxB1 stabilization in the storage. After the additive screen, crystals have been yielded in the presence of guanidine hydrochloride (Gn-HCl). We determined that a low concentration of Gn-HCl significantly delayed clotting time and increased anticoagulant activity. Analysis of the crystal showed that in the presence of Gn-HCl, AnxB1 crystallizes in orthorhombic space group, which is modified from the cubic space group for crystals grown in the absence of Gn-HCl. A high quality data set (at 1.9 {angstrom}) has been collected successfully for crystals of L-selenomethionine labeled protein in the presence of Gn-HCl, to solve the structure with the single anomalous dispersion method (SAD). The unit cell parameters are a = 102.35 {angstrom}, b = 103.59 {angstrom}, c = 114.60 {angstrom}, {alpha} = {beta} = {gamma} = 90.00{sup o}.
Interaction of the moving domain wall with phonons
NASA Astrophysics Data System (ADS)
Demokritov, S. O.; Kirilyuk, A. I.; Kreines, N. M.; Kudinov, V. I.; Smirnov, V. B.; Chetkin, M. V.
1991-12-01
The interaction between the moving domain wall (DW) and acoustic phonons in the weak ferromagnet YFeO 3 has been investigated by means of Brillouin-Mandel'stam spectroscopy method for the first time. The light scattering by the moving DW with the frequency shift due to the Doppler effect has been observed. The DW velocity and the intensity of the scattered light were determined from the spectra as a function of pulsed magnetic field at different temperatures. It was determined that as the DW velocity approaches that of transverse of longitudinal sound extra phonons, or sound soliton, are generated. The light scattering from the excited phonons was observed directly. The space and time evolution of this sound soliton was investigated at T=2 K. Nonstationary supersound DW motion has been observed. Nonlinear excitation of longitudinal sound was discovered. The temperature dependence of the DW mobility was also measured. The general picture of the DW motion at v≈ s was discussed.
Andreu-Navarro, A; Fernández-Romero, J M; Gómez-Hens, A
2011-06-10
The capability of antioxidant compounds to reduce gold(III) to gold nanoparticles has been kinetically studied in the presence of cetyltrimethylammonium bromide using stopped-flow mixing technique and resonance light scattering as detection system. This study has given rise to a simple and rapid method for the determination of several synthetic and natural antioxidants used as additives in foodstuff samples. The formation of AuNPs was monitored by measuring the initial reaction-rate of the system in about 5s, using an integration time of 0.1s. Dynamic ranges of the calibration graphs and detection limits, obtained with standard solutions of the analytes, were (μmolL⁻¹): gallic acid (0.04-0.59, 0.01), propyl gallate (0.04-1.41, 0.01), octyl gallate (0.03-0.35, 0.08), dodecyl gallate (0.02-0.30, 0.007), butylated hydroxyanisol (0.07-0.39, 0.009), butylated hydroxytoluene (0.04-0.32, 0.01), ascorbic acid (0.11-1.72, 0.03) and sodium citrate (0.07-1.29, 0.02). The regression coefficients were higher than 0.994 in all instances. The precision of the method, expressed as RSD%, was established at two concentration levels of each analyte, with values ranging between 0.6 and 4.8%. The practical usefulness of the developed method was demonstrated by the determination of several antioxidant additives in foodstuff samples, which were extracted, appropriately diluted and assayed, obtaining recoveries between 95.4 and 99.5%. The results obtained were validated using two reference methods. PMID:21601026
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.
Phonon dispersion and quantization tuning of strained carbon nanotubes for flexible electronics
Gautreau, Pierre; Chu, Yanbiao; Basaran, Cemal; Ragab, Tarek
2014-06-28
Graphene and carbon nanotubes are materials with large potentials for applications in flexible electronics. Such devices require a high level of sustainable strain and an understanding of the materials electrical properties under strain. Using supercell theory in conjunction with a comprehensive molecular mechanics model, the full band phonon dispersion of carbon nanotubes under uniaxial strain is studied. The results suggest an overall phonon softening and open up the possibility of phonon quantization tuning with uniaxial strain. The change in phonon quantization and the resulting increase in electron-phonon and phonon-phonon scattering rates offer further explanation and theoretical basis to the experimental observation of electrical properties degradation for carbon nanotubes under uniaxial strain.
Real-space transfer of photoexcited electrons in type-II superlattices via optical-phonon emission
Erdogan, M.U.; Sankaran, V.; Kim, K.W.; Stroscio, M.A.; Iafrate, G.J.
1994-12-31
The {Gamma}-{Chi} scattering rate of electron is type-II superlattices by optical-phonon emission is calculated. The tight binding method for electronic band structure and the dielectric continuum model for phonons are used. The relative strength of scattering due to different phonon modes is examined for varying superlattice dimensions. The scattering rate is highest when the energy separation between the {Gamma} and {Chi} levels is smallest, and decreases quickly as the separation increases. It is found that the strongest scattering rate is due to the emission of AlAs confined modes. Changing of parity with layer thickness and its effect on scattering are discussed.
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.
NASA Astrophysics Data System (ADS)
Zeng, Lingping; Collins, Kimberlee C.; Hu, Yongjie; Luckyanova, Maria N.; Maznev, Alexei A.; Huberman, Samuel; Chiloyan, Vazrik; Zhou, Jiawei; Huang, Xiaopeng; Nelson, Keith A.; Chen, Gang
2015-11-01
Heat conduction in semiconductors and dielectrics depends upon their phonon mean free paths that describe the average travelling distance between two consecutive phonon scattering events. Nondiffusive phonon transport is being exploited to extract phonon mean free path distributions. Here, we describe an implementation of a nanoscale thermal conductivity spectroscopy technique that allows for the study of mean free path distributions in optically absorbing materials with relatively simple fabrication and a straightforward analysis scheme. We pattern 1D metallic grating of various line widths but fixed gap size on sample surfaces. The metal lines serve as both heaters and thermometers in time-domain thermoreflectance measurements and simultaneously act as wire-grid polarizers that protect the underlying substrate from direct optical excitation and heating. We demonstrate the viability of this technique by studying length-dependent thermal conductivities of silicon at various temperatures. The thermal conductivities measured with different metal line widths are analyzed using suppression functions calculated from the Boltzmann transport equation to extract the phonon mean free path distributions with no calibration required. This table-top ultrafast thermal transport spectroscopy technique enables the study of mean free path spectra in a wide range of technologically important materials.
Zeng, Lingping; Collins, Kimberlee C; Hu, Yongjie; Luckyanova, Maria N; Maznev, Alexei A; Huberman, Samuel; Chiloyan, Vazrik; Zhou, Jiawei; Huang, Xiaopeng; Nelson, Keith A; Chen, Gang
2015-01-01
Heat conduction in semiconductors and dielectrics depends upon their phonon mean free paths that describe the average travelling distance between two consecutive phonon scattering events. Nondiffusive phonon transport is being exploited to extract phonon mean free path distributions. Here, we describe an implementation of a nanoscale thermal conductivity spectroscopy technique that allows for the study of mean free path distributions in optically absorbing materials with relatively simple fabrication and a straightforward analysis scheme. We pattern 1D metallic grating of various line widths but fixed gap size on sample surfaces. The metal lines serve as both heaters and thermometers in time-domain thermoreflectance measurements and simultaneously act as wire-grid polarizers that protect the underlying substrate from direct optical excitation and heating. We demonstrate the viability of this technique by studying length-dependent thermal conductivities of silicon at various temperatures. The thermal conductivities measured with different metal line widths are analyzed using suppression functions calculated from the Boltzmann transport equation to extract the phonon mean free path distributions with no calibration required. This table-top ultrafast thermal transport spectroscopy technique enables the study of mean free path spectra in a wide range of technologically important materials. PMID:26612032
Zeng, Lingping; Collins, Kimberlee C.; Hu, Yongjie; Luckyanova, Maria N.; Maznev, Alexei A.; Huberman, Samuel; Chiloyan, Vazrik; Zhou, Jiawei; Huang, Xiaopeng; Nelson, Keith A.; et al
2015-11-27
Heat conduction in semiconductors and dielectrics depends upon their phonon mean free paths that describe the average travelling distance between two consecutive phonon scattering events. Nondiffusive phonon transport is being exploited to extract phonon mean free path distributions. Here, we describe an implementation of a nanoscale thermal conductivity spectroscopy technique that allows for the study of mean free path distributions in optically absorbing materials with relatively simple fabrication and a straightforward analysis scheme. We pattern 1D metallic grating of various line widths but fixed gap size on sample surfaces. The metal lines serve as both heaters and thermometers in time-domainmore » thermoreflectance measurements and simultaneously act as wiregrid polarizers that protect the underlying substrate from direct optical excitation and heating. We demonstrate the viability of this technique by studying length-dependent thermal conductivities of silicon at various temperatures. The thermal conductivities measured with different metal line widths are analyzed using suppression functions calculated from the Boltzmann transport equation to extract the phonon mean free path distributions with no calibration required. Furthermore, this table-top ultrafast thermal transport spectroscopy technique enables the study of mean free path spectra in a wide range of technologically important materials.« less
Zeng, Lingping; Collins, Kimberlee C.; Hu, Yongjie; Luckyanova, Maria N.; Maznev, Alexei A.; Huberman, Samuel; Chiloyan, Vazrik; Zhou, Jiawei; Huang, Xiaopeng; Nelson, Keith A.; Chen, Gang
2015-01-01
Heat conduction in semiconductors and dielectrics depends upon their phonon mean free paths that describe the average travelling distance between two consecutive phonon scattering events. Nondiffusive phonon transport is being exploited to extract phonon mean free path distributions. Here, we describe an implementation of a nanoscale thermal conductivity spectroscopy technique that allows for the study of mean free path distributions in optically absorbing materials with relatively simple fabrication and a straightforward analysis scheme. We pattern 1D metallic grating of various line widths but fixed gap size on sample surfaces. The metal lines serve as both heaters and thermometers in time-domain thermoreflectance measurements and simultaneously act as wire-grid polarizers that protect the underlying substrate from direct optical excitation and heating. We demonstrate the viability of this technique by studying length-dependent thermal conductivities of silicon at various temperatures. The thermal conductivities measured with different metal line widths are analyzed using suppression functions calculated from the Boltzmann transport equation to extract the phonon mean free path distributions with no calibration required. This table-top ultrafast thermal transport spectroscopy technique enables the study of mean free path spectra in a wide range of technologically important materials. PMID:26612032
Zeng, Lingping; Collins, Kimberlee C.; Hu, Yongjie; Luckyanova, Maria N.; Maznev, Alexei A.; Huberman, Samuel; Chiloyan, Vazrik; Zhou, Jiawei; Huang, Xiaopeng; Nelson, Keith A.; Chen, Gang
2015-11-27
Heat conduction in semiconductors and dielectrics depends upon their phonon mean free paths that describe the average travelling distance between two consecutive phonon scattering events. Nondiffusive phonon transport is being exploited to extract phonon mean free path distributions. Here, we describe an implementation of a nanoscale thermal conductivity spectroscopy technique that allows for the study of mean free path distributions in optically absorbing materials with relatively simple fabrication and a straightforward analysis scheme. We pattern 1D metallic grating of various line widths but fixed gap size on sample surfaces. The metal lines serve as both heaters and thermometers in time-domain thermoreflectance measurements and simultaneously act as wiregrid polarizers that protect the underlying substrate from direct optical excitation and heating. We demonstrate the viability of this technique by studying length-dependent thermal conductivities of silicon at various temperatures. The thermal conductivities measured with different metal line widths are analyzed using suppression functions calculated from the Boltzmann transport equation to extract the phonon mean free path distributions with no calibration required. Furthermore, this table-top ultrafast thermal transport spectroscopy technique enables the study of mean free path spectra in a wide range of technologically important materials.
NASA Astrophysics Data System (ADS)
Howard, Colin
The following dissertation presents a comprehensive study of the interaction between Dirac fermion quasiparticles (DFQs) and surface phonons on the surfaces of the topological insulators Bi2Se3 and Bi2Te 3. Inelastic helium atom surface scattering (HASS) spectroscopy and time of flight (TOF) techniques were used to measure the surface phonon dispersion of these materials along the two high-symmetry directions of the surface Brillouin zone (SBZ). Two anomalies common to both materials are exhibited in the experimental data. First, there is an absence of Rayleigh acoustic waves on the surface of these materials, pointing to weak coupling between the surface charge density and the surface acoustic phonon modes and potential applications for soundproofing technologies. Secondly, both materials exhibit an out-of-plane polarized optical phonon mode beginning at the SBZ center and dispersing to lower energy with increasing wave vector along both high-symmetry directions of the SBZ. This trend terminates in a V-shaped minimum at a wave vector corresponding to 2 kF for each material, after which the dispersion resumes its upward trend. This phenomenon constitutes a strong Kohn anomaly and can be attributed to the interaction between the surface phonons and DFQs. To quantify the coupling between the optical phonons experiencing strong renormalization and the DFQs at the surface, a phenomenological model was constructed based within the random phase approximation. Fitting the theoretical model to the experimental data allowed for the extraction of the matrix elements of the coupling Hamiltonian and the modifications to the surface phonon propagator encoded in the phonon self energy. This allowed, for the first time, calculation of phonon mode-specific quasiparticle-phonon coupling lambdanu( q) from experimental data. Additionally, an averaged coupling parameter was determined for both materials yielding bar lambdaTe ≈ 2 and bar lambdaSe ≈ 0.7. These values are
Tailorable stimulated Brillouin scattering in nanoscale silicon waveguides
Shin, Heedeuk; Qiu, Wenjun; Jarecki, Robert; Cox, Jonathan A.; Olsson, Roy H.; Starbuck, Andrew; Wang, Zheng; Rakich, Peter T.
2013-01-01
Nanoscale modal confinement is known to radically enhance the effect of intrinsic Kerr and Raman nonlinearities within nanophotonic silicon waveguides. By contrast, stimulated Brillouin-scattering nonlinearities, which involve coherent coupling between guided photon and phonon modes, are stifled in conventional nanophotonics, preventing the realization of a host of Brillouin-based signal-processing technologies in silicon. Here we demonstrate stimulated Brillouin scattering in silicon waveguides, for the first time, through a new class of hybrid photonic–phononic waveguides. Tailorable travelling-wave forward-stimulated Brillouin scattering is realized—with over 1,000 times larger nonlinearity than reported in previous systems—yielding strong Brillouin coupling to phonons from 1 to 18 GHz. Experiments show that radiation pressures, produced by subwavelength modal confinement, yield enhancement of Brillouin nonlinearity beyond those of material nonlinearity alone. In addition, such enhanced and wideband coherent phonon emission paves the way towards the hybridization of silicon photonics, microelectromechanical systems and CMOS signal-processing technologies on chip. PMID:23739586
Phonon sidebands of photoluminescence in single wall carbon nanotubes
NASA Astrophysics Data System (ADS)
Yu, Guili; Liang, Qifeng; Jia, Yonglei; Dong, Jinming
2010-01-01
The multiphonon-assisted photoluminescence (PL) of the single wall carbon nanotubes (SWNTs) have been studied by solving the Schrödinger equation, showing a set of phonon sidebands, both the Stokes and anti-Stokes lines, which are induced by the longitudinal optical phonon and radial breathing mode phonon. All the calculated results are in a good agreement with the recent experimental PL spectra of the SWNTs [F. Plentz, H. B. Ribeiro, A. Jorio, M. S. Strano, and M. A. Pimenta, Phys. Rev. Lett. 95, 247401 (2005)] and J. Lefebvre and P. Finnie, Phys. Rev. Lett. 98, 167406 (2007)]. In addition, it is very interesting to find in the calculated PL several additional phonon sidebands with rather weak intensities, which are caused by the exciton's coupling with two kinds of phonons, and expected to be observed in future experiments.
Relevance of Phonons in High-Temperature Superconductivity
NASA Astrophysics Data System (ADS)
Egami, Takeshi; Chung, Jae-Ho; Piekarz, Przemek; Arai, Masatoshi; Tajima, Setsuko; Tachiki, Masashi
2002-03-01
For a long time phonons have been regarded to be irrelevant to high temperature superconductivity (HTSC). However, our recent measurements of phonon dispersion in YBCO with neutron inelastic scattering at MAPS of the ISIS and of electron dressing of phonons by x-ray inelastic scattering at the APS suggest otherwise. They show that the in-plane Cu-O bond-stretching mode interacts strongly with electrons, reflecting the SC order parameter, and the electronic structure is strongly anisotropic in the Cu-O plane. The results are consistent with the formation of a short-range stripe structure and a resonant vibronic state. We conjecture that the spin-charge stripe structure brings down the electronic energy scale close to those of phonons, creating the resonant condition. A model based upon overscreening of phonons by charge and formation of the vibronic state yields a SC transition temperature over 300K. While this magnitude may not be accurate it suggests that the phonons are likely to be closely involved in the mechanism of HTSC.
Phonon Entropy of Alloying in Dilute Vanadium Alloys
NASA Astrophysics Data System (ADS)
Delaire, Olivier; Swan-Wood, Tabitha; Kresch, Max; Fultz, Brent
2005-03-01
We investigate the entropic effects associated with changes in the phonon modes of vanadium upon dilute substitutional alloying. Using inelastic neutron scattering, we have measured the phonon DOS and the phonon entropy of mixing in V - 6%X, with X a transition metal impurity. We study trends for impurities across the d-series and down several columns of the periodic table. We show that for Ni, Pd and Pt impurities, the phonon entropy of alloying is large and negative, and in the case of Pt it results in a negative total entropy of mixing for 6% impurities. A Born-von Karman model was used to invert the experimental DOS curves and showed that the phonon stiffening down this column is associated with an increases in 1NN longitudinal inter-atomic force-constants. The changes in the phonon DOS for impurities across the 3d series are also correlated with the previously measured changes in the superconducting temperature Tc. Ab-initio DFT simulations were used to compute the effect of impurities on the electronic and phonon properties of vanadium, and are compared to the experimental results. This work was supported by DOE through the BES Grant DE-FG03-0346055 and BES-MS, W-31-109-ENG-38.
Electron-phonon coupling and thermal transport in the thermoelectric compound Mo_{3}Sb_{7–x}Te_{x}
Bansal, Dipanshu; Li, Chen W.; Said, Ayman H.; Abernathy, Douglas L.; Yan, Jiaqiang; Delaire, Olivier A.
2015-12-07
Phonon properties of Mo_{3}Sb_{7–x}Te_{x} (x = 0, 1.5, 1.7), a potential high-temperature thermoelectric material, have been studied with inelastic neutron and x-ray scattering, and with first-principles simulations. The substitution of Te for Sb leads to pronounced changes in the electronic struc- ture, local bonding, phonon density of states (DOS), dispersions, and phonon lifetimes. Alloying with tellurium shifts the Fermi level upward, near the top of the valence band, resulting in a strong suppression of electron-phonon screening, and a large overall stiffening of interatomic force- constants. The suppression in electron-phonon coupling concomitantly increases group velocities and suppresses phonon scattering rates, surpassing the effects of alloy-disorder scattering, and re- sulting in a surprising increased lattice thermal conductivity in the alloy. We also identify that the local bonding environment changes non-uniformly around different atoms, leading to variable perturbation strengths for different optical phonon branches. The respective roles of changes in phonon group velocities and phonon lifetimes on the lattice thermal conductivity are quantified. Lastly, our results highlight the importance of the electron-phonon coupling on phonon mean-free-paths in this compound, and also estimates the contributions from boundary scattering, umklapp scattering, and point-defect scattering.
Unified theory of electron-phonon renormalization and phonon-assisted optical absorption
NASA Astrophysics Data System (ADS)
Patrick, Christopher E.; Giustino, Feliciano
2014-09-01
We present a theory of electronic excitation energies and optical absorption spectra which incorporates energy-level renormalization and phonon-assisted optical absorption within a unified framework. Using time-independent perturbation theory we show how the standard approaches for studying vibronic effects in molecules and those for addressing electron-phonon interactions in solids correspond to slightly different choices for the non-interacting Hamiltonian. Our present approach naturally leads to the Allen-Heine theory of temperature-dependent energy levels, the Franck-Condon principle, the Herzberg-Teller effect and to phonon-assisted optical absorption in indirect band gap materials. In addition, our theory predicts sub-gap phonon-assisted optical absorption in direct gap materials, as well as an exponential edge which we tentatively assign to the Urbach tail. We also consider a semiclassical approach to the calculation of optical absorption spectra which simultaneously captures energy-level renormalization and phonon-assisted transitions and is especially suited to first-principles electronic structure calculations. We demonstrate this approach by calculating the phonon-assisted optical absorption spectrum of bulk silicon.
Understanding phonon transport in thermoelectric materials using ab initio approaches
NASA Astrophysics Data System (ADS)
Broido, David
Good thermoelectric materials have low phonon thermal conductivity, kph. Accurate theories to describe kph are important components in developing predictive models of thermoelectric efficiency that can help guide synthesis and measurement efforts. We have developed ab initio approaches to calculate kph, in which phonon modes and phonon scattering rates are computed using interatomic force constants determined from density functional theory, and a full solution of the Boltzmann transport equation for phonons is implemented. A recent approach to calculate interatomic force constants using ab initio molecular dynamics has yielded a good description of the thermal properties of Bi2Te3. But, the complexity of new promising candidate thermoelectric materials introduces computational challenges in assessing their thermal properties. An example is germanane, a germanium based hydrogen-terminated layered semiconductor, which we will discuss in this talk.
Anharmonic phonon decay in cubic GaN
NASA Astrophysics Data System (ADS)
Cuscó, R.; Domènech-Amador, N.; Novikov, S.; Foxon, C. T.; Artús, L.
2015-08-01
We present a Raman-scattering study of optical phonons in zinc-blende (cubic) GaN for temperatures ranging from 80 to 750 K. The experiments were performed on high-quality, cubic GaN films grown by molecular-beam epitaxy on GaAs (001) substrates. The observed temperature dependence of the optical phonon frequencies and linewidths is analyzed in the framework of anharmonic decay theory, and possible decay channels are discussed in the light of density-functional-theory calculations. The longitudinal-optical (LO) mode relaxation is found to occur via asymmetric decay into acoustic phonons, with an appreciable contribution of higher-order processes. The transverse-optical mode linewidth shows a weak temperature dependence and its frequency downshift is primarily determined by the lattice thermal expansion. The LO phonon lifetime is derived from the observed Raman linewidth and an excellent agreement with previous theoretical predictions is found.
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
Phonon anharmonicity and components of the entropy in palladium and platinum
NASA Astrophysics Data System (ADS)
Shen, Yang; Li, Chen W.; Tang, Xiaoli; Smith, Hillary L.; Fultz, B.
2016-06-01
Inelastic neutron scattering was used to measure the phonon density of states in fcc palladium and platinum metal at temperatures from 7 K to 1576 K. Both phonon-phonon interactions and electron-phonon interactions were calculated by methods based on density functional theory (DFT) and were consistent with the measured shifts and broadenings of phonons with temperature. Unlike the longitudinal modes, the characteristic transverse modes had a nonlinear dependence on temperature owing to the requirement for a population of thermal phonons for upscattering. Kohn anomalies were observed in the measurements at low temperature and were reproduced by calculations based on DFT. Contributions to the entropy from phonons and electrons were assessed and summed to obtain excellent agreement with prior calorimetric data. The entropy from thermal expansion is positive for both phonons and electrons but larger for phonons. The anharmonic phonon entropy is negative in Pt, but in Pd it changes from positive to negative with increasing temperature. Owing to the position of the Fermi level on the electronic DOS, the electronic entropy was sensitive to the adiabatic electron-phonon interaction in both Pd and Pt. The adiabatic EPI depended strongly on thermal atom displacements.
Phonon properties of americium phosphide
NASA Astrophysics Data System (ADS)
Arya, B. S.; Aynyas, Mahendra; Sanyal, S. P.
2016-05-01
Phonon properties of AmP have been studied by using breathing shell models (BSM) which includes breathing motion of electrons of the Am atoms due to f-d hybridization. The phonon dispersion curves, specific heat calculated from present model. The calculated phonon dispersion curves of AmP are presented follow the same trend as observed in uranium phosphide. We discuss the significance of this approach in predicting the phonon dispersion curves of these compounds and examine the role of electron-phonon interaction.
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.
Generation mechanism of terahertz coherent acoustic phonons in Fe
NASA Astrophysics Data System (ADS)
Henighan, T.; Trigo, M.; Bonetti, S.; Granitzka, P.; Higley, D.; Chen, Z.; Jiang, M. P.; Kukreja, R.; Gray, A.; Reid, A. H.; Jal, E.; Hoffmann, M. C.; Kozina, M.; Song, S.; Chollet, M.; Zhu, D.; Xu, P. F.; Jeong, J.; Carva, K.; Maldonado, P.; Oppeneer, P. M.; Samant, M. G.; Parkin, S. S. P.; Reis, D. A.; Dürr, H. A.
2016-06-01
We use femtosecond time-resolved hard x-ray scattering to detect coherent acoustic phonons generated during ultrafast laser excitation of ferromagnetic bcc Fe films grown on MgO(001). We observe the coherent longitudinal-acoustic phonons as a function of wave vector through analysis of the temporal oscillations in the x-ray scattering signal. The width of the extracted strain wave front associated with this coherent motion is ˜100 fs. An effective electronic Grüneisen parameter is extracted within a two-temperature model. However, ab initio calculations show that the phonons are nonthermal on the time scale of the experiment, which calls into question the validity of extracting physical constants by fitting such a two-temperature model.
Evolution of the phonon density of states of LaCoO3 over the spin state transition
Golosova, N. O.; Kozlenko, D. P.; Kolesnikov, Alexander I; Kazimirov, V. Yu.; Smirnov, M. B.; Jirak, Z.; Savenko, B. N.
2011-01-01
The phonon spectra of LaCoO3 were studied by inelastic neutron scattering in the temperature range of 4 120 K. The DFT calculations of the lattice dynamics have been made for interpretation of the experimental data. The observed and calculated phonon frequencies were found to be in a reasonable agreement. The evolution of the phonon density of states over the spin state transition was analyzed. In the low-temperature range (T < 50 K), an increase in the energy of resolved breathing, stretching, and bending phonon modes was found, followed by their softening and broadening at higher temperatures due to the spin state transition and relevant orbital-phonon coupling.
Lattice Dynamics of EuO: Evidence for Giant Spin-Phonon Coupling
NASA Astrophysics Data System (ADS)
Pradip, R.; Piekarz, P.; Bosak, A.; Merkel, D. G.; Waller, O.; Seiler, A.; Chumakov, A. I.; Rüffer, R.; Oleś, A. M.; Parlinski, K.; Krisch, M.; Baumbach, T.; Stankov, S.
2016-05-01
Comprehensive studies of lattice dynamics in the ferromagnetic semiconductor EuO have been performed by a combination of inelastic x-ray scattering, nuclear inelastic scattering, and ab initio calculations. A remarkably large broadening of the transverse acoustic phonons was discovered at temperatures above and below the Curie temperature TC=69 K . This result indicates a surprisingly strong momentum-dependent spin-phonon coupling induced by the spin dynamics in EuO.
NASA Astrophysics Data System (ADS)
Nissimagoudar, A. S.; Sankeshwar, N. S.
2014-06-01
Lattice thermal conductivity, κp, of suspended and supported graphene nanoribbons (GNRs) is studied over a wide temperature range, taking into account the dispersive nature of confined acoustic phonon modes. Employing a modified Callaway model, an expression for κp is developed, considering the explicit contributions from in-plane longitudinal, transverse, and torsional acoustic, and out-of-plane flexural acoustic phonon modes. Numerical calculations of κp(T) are presented assuming the confined acoustic phonons to be scattered by sample boundaries, impurities, and other phonons via both normal and umklapp processes. The effect of phonon confinement is to modify the phonon group velocities and the temperature dependence of κp. In a suspended 5-nm-wide GNR at room temperature, a decrease in κp by ˜70% is predicted. Our study brings out the relative importance of the contributing phonon modes and reveals the influence of flexural phonons on κp as a marked shoulder at low temperatures. The role of the various sample-dependent scattering mechanisms is examined. The substrate, in supported GNRs, is shown to curtail the phonon mean free path and suppress the low-temperature κp. Our results are in good agreement with recent experimental data of Bae et al. [M. H. Bae, Z. Li, Z. Aksamija, P. N. Martin, F. Xiong, Z. Y. Ong, I. Knezevic, and E. Pop, Nat. Commun. 4, 1734 (2013), 10.1038/ncomms2755] for supported GNRs.
NASA Astrophysics Data System (ADS)
Pop, Eric; Dutton, Robert W.; Goodson, Kenneth E.
2004-11-01
We describe the implementation of a Monte Carlo model for electron transport in silicon. The model uses analytic, nonparabolic electron energy bands, which are computationally efficient and sufficiently accurate for future low-voltage (<1V) nanoscale device applications. The electron-lattice scattering is incorporated using an isotropic, analytic phonon-dispersion model, which distinguishes between the optical/acoustic and the longitudinal/transverse phonon branches. We show that this approach avoids introducing unphysical thresholds in the electron distribution function, and that it has further applications in computing detailed phonon generation spectra from Joule heating. A set of deformation potentials for electron-phonon scattering is introduced and shown to yield accurate transport simulations in bulk silicon across a wide range of electric fields and temperatures. The shear deformation potential is empirically determined at Ξu=6.8eV, and consequently, the isotropically averaged scattering potentials with longitudinal and transverse acoustic phonons are DLA=6.39eV and DTA=3.01eV, respectively, in reasonable agreement with previous studies. The room-temperature electron mobility in strained silicon is also computed and shown to be in better agreement with the most recent phonon-limited data available. As a result, we find that electron coupling with g-type phonons is about 40% lower, and the coupling with f-type phonons is almost twice as strong as previously reported.
Phonons, defects and optical damage in crystalline acetanilide
NASA Astrophysics Data System (ADS)
Kosic, Thomas J.; Hill, Jeffrey R.; Dlott, Dana D.
1986-04-01
Intense picosecond pulses cause accumulated optical damage in acetanilide crystals at low temperature. Catastrophic damage to the irradiated volume occurs after an incubation period where defects accumulate. The optical damage is monitored with subanosecond time resolution. The generation of defects is studied with damage-detected picosecond spectroscopy. The accumulation of defects is studied by time-resolved coherent Raman scattering, which is used to measure optical phonon scattering from the accumulating defects.
Zhang, Yu Chen, GuanHua; Yam, ChiYung
2015-04-28
A time-dependent inelastic electron transport theory for strong electron-phonon interaction is established via the equations of motion method combined with the small polaron transformation. In this work, the dissipation via electron-phonon coupling is taken into account in the strong coupling regime, which validates the small polaron transformation. The corresponding equations of motion are developed, which are used to study the quantum interference effect and phonon-induced decoherence dynamics in molecular junctions. Numerical studies show clearly quantum interference effect of the transport electrons through two quasi-degenerate states with different couplings to the leads. We also found that the quantum interference can be suppressed by the electron-phonon interaction where the phase coherence is destroyed by phonon scattering. This indicates the importance of electron-phonon interaction in systems with prominent quantum interference effect.
Reconstructing phonon mean-free-path contributions to thermal conductivity using nanoscale membranes
NASA Astrophysics Data System (ADS)
Cuffe, John; Eliason, Jeffrey K.; Maznev, A. A.; Collins, Kimberlee C.; Johnson, Jeremy A.; Shchepetov, Andrey; Prunnila, Mika; Ahopelto, Jouni; Sotomayor Torres, Clivia M.; Chen, Gang; Nelson, Keith A.
2015-06-01
Knowledge of the mean-free-path distribution of heat-carrying phonons is key to understanding phonon-mediated thermal transport. We demonstrate that thermal conductivity measurements of thin membranes spanning a wide thickness range can be used to characterize how bulk thermal conductivity is distributed over phonon mean free paths. A noncontact transient thermal grating technique was used to measure the thermal conductivity of suspended Si membranes ranging from 15-1500 nm in thickness. A decrease in the thermal conductivity from 74-13% of the bulk value is observed over this thickness range, which is attributed to diffuse phonon boundary scattering. Due to the well-defined relation between the membrane thickness and phonon mean-free-path suppression, combined with the range and accuracy of the measurements, we can reconstruct the bulk thermal conductivity accumulation vs. phonon mean free path, and compare with theoretical models.
Phonon mean free path spectrum and thermal conductivity for Si1-xGex nanowires
NASA Astrophysics Data System (ADS)
Xie, Guofeng; Guo, Yuan; Wei, Xiaolin; Zhang, Kaiwang; Sun, Lizhong; Zhong, Jianxin; Zhang, Gang; Zhang, Yong-Wei
2014-06-01
We reformulate the linearized phonon Boltzmann transport equation by incorporating the direction-dependent phonon-boundary scattering, and based on this equation, we study the thermal conductivity of Si1-xGex nanowires and derive their phonon mean free path spectrum. Due to the severe suppression of high-frequency phonons by alloy scattering, the low frequency phonons in Si1-xGex nanowires have a much higher contribution to the thermal conductivity than pure silicon nanowires. We also find that Si1-xGex nanowires possess a stronger length-dependent, weaker diameter-dependent, and weaker surface roughness-dependent thermal conductivity than silicon nanowires. These findings are potentially useful for engineering Si1-xGex nanowires for thermoelectric applications.
Pandya, Ankur; Shinde, Satyam; Jha, Prafulla K.
2015-05-15
In this paper the hot electron transport properties like carrier energy and momentum scattering rates and electron energy loss rates are calculated via interactions of electrons with polar acoustical phonons for Mn doped BN quantum well in BN nanosheets via piezoelectric scattering and deformation potential mechanisms at low temperatures with high electric field. Electron energy loss rate increases with the electric field. It is observed that at low temperatures and for low electric field the phonon absorption is taking place whereas, for sufficient large electric field, phonon emission takes place. Under the piezoelectric (polar acoustical phonon) scattering mechanism, the carrier scattering rate decreases with the reduction of electric field at low temperatures wherein, the scattering rate variation with electric field is limited by a specific temperature beyond which there is no any impact of electric field on such scattering.
NASA Astrophysics Data System (ADS)
Mizoguchi, K.; Morishita, R.; Oohata, G.
2013-02-01
The detection-energy dependence of a coherent phonon in a (001) CdTe crystal, generated by ultrashort laser pulses with the center energy transparent or opaque to the sample, is investigated using a spectrally resolved pump-probe method. At the excitation in the transparent region, the detection-energy dependence of the phonon amplitude has two peaks at the energy shifted by one times the phonon energy of CdTe from the center energy of the probe pulses. On the other hand, the amplitude in the opaque region shows two peaks at the energy shifted by about two times the phonon energy. This difference occurs even though the observed energies of the coherent phonons in both regions are the same as that of the longitudinal optical phonon of CdTe. The energy shifts in the detection-energy dependence imply that the emission and absorption of one phonon and two phonons in the transparent and opaque regions, respectively, are implicated in coherent phonon generation. In this study, the detection-energy dependence is examined from the viewpoint of the third-order nonlinear susceptibility based on the impulsive stimulated Raman scattering process under nonresonant and resonant conditions.
Phonons and electron-phonon interaction in halogen-fullerene compounds
NASA Astrophysics Data System (ADS)
Limonov, M. F.; Kitaev, Yu. E.; Chugreev, A. V.; Smirnov, V. P.; Grushko, Yu. S.; Kolesnik, S. G.; Kolesnik, S. N.
1998-04-01
We have investigated the optical spectra of different halogen-fullerene compounds: C60I4-x, C70I2, C60Br24, C60Cl24, and C70Cl17. Two types of carbon-halogen bonding have been established: (a) C60I4-x and C70I2 compounds are formed by a C60 or C70 molecule sublattice and an I2 molecule sublattice that weakly interact via van der Waals forces; (b) C60Br24, C60Cl24, and C70Cl17 compounds are characterized by covalent bonds between C and Br/Cl atoms. We have studied in detail the resonance effects in C60Cl24 using the methods of Raman scattering, infrared absorption, and absorption in the visible region. The effect originates from the interactions between the phonon subsystem and the electron band at 2.33 eV and manifests itself in a resonant enhancement of the Raman line intensities and in the repetition of the phonon and the luminescence spectra shifted by the frequency of Raman-active phonon at 1508 cm-1. The group-theory analysis of phonon symmetries in rigid and nonrigid C60Br24 and C60Cl24 crystals has been performed.
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
A first-principles study on the phonon transport in layered BiCuOSe
Shao, Hezhu; Tan, Xiaojian; Liu, Guo-Qiang; Jiang, Jun; Jiang, Haochuan
2016-01-01
First-principles calculations are employed to investigate the phonon transport of BiCuOSe. Our calculations reproduce the lattice thermal conductivity of BiCuOSe. The calculated grüneisen parameter is 2.4 ~ 2.6 at room temperature, a fairly large value indicating a strong anharmonicity in BiCuOSe, which leads to its ultralow lattice thermal conductivity. The contribution to total thermal conductivity from high-frequency optical phonons, which are mostly contributed by the vibrations of O atoms, is larger than 1/3, remarkably different from the usual picture with very little contribution from high-frequency optical phonons. Our calculations show that both the high group velocities and low scattering processes involved make the high-frequency optical modes contribute considerably to the total lattice thermal conductivity. In addition, we show that the sound velocity and bulk modulus along a and c axes exhibit strong anisotropy, which results in the anisotropic thermal conductivity in BiCuOSe. PMID:26878884
Enhancing phonon flow through one-dimensional interfaces by impedance matching
Polanco, Carlos A. Ghosh, Avik W.
2014-08-28
We extend concepts from microwave engineering to thermal interfaces and explore the principles of impedance matching in 1D. The extension is based on the generalization of acoustic impedance to nonlinear dispersions using the contact broadening matrix Γ(ω), extracted from the phonon self energy. For a single junction, we find that for coherent and incoherent phonons, the optimal thermal conductance occurs when the matching Γ(ω) equals the Geometric Mean of the contact broadenings. This criterion favors the transmission of both low and high frequency phonons by requiring that (1) the low frequency acoustic impedance of the junction matches that of the two contacts by minimizing the sum of interfacial resistances and (2) the cut-off frequency is near the minimum of the two contacts, thereby reducing the spillage of the states into the tunneling regime. For an ultimately scaled single atom/spring junction, the matching criterion transforms to the arithmetic mean for mass and the harmonic mean for spring constant. The matching can be further improved using a composite graded junction with an exponential varying broadening that functions like a broadband antireflection coating. There is, however, a trade off as the increased length of the interface brings in additional intrinsic sources of scattering.
A first-principles study on the phonon transport in layered BiCuOSe.
Shao, Hezhu; Tan, Xiaojian; Liu, Guo-Qiang; Jiang, Jun; Jiang, Haochuan
2016-01-01
First-principles calculations are employed to investigate the phonon transport of BiCuOSe. Our calculations reproduce the lattice thermal conductivity of BiCuOSe. The calculated grüneisen parameter is 2.4 ~ 2.6 at room temperature, a fairly large value indicating a strong anharmonicity in BiCuOSe, which leads to its ultralow lattice thermal conductivity. The contribution to total thermal conductivity from high-frequency optical phonons, which are mostly contributed by the vibrations of O atoms, is larger than 1/3, remarkably different from the usual picture with very little contribution from high-frequency optical phonons. Our calculations show that both the high group velocities and low scattering processes involved make the high-frequency optical modes contribute considerably to the total lattice thermal conductivity. In addition, we show that the sound velocity and bulk modulus along a and c axes exhibit strong anisotropy, which results in the anisotropic thermal conductivity in BiCuOSe. PMID:26878884
Temperature dependent phonon properties of thermoelectric materials
NASA Astrophysics Data System (ADS)
Hellman, Olle; Broido, David; Fultz, Brent
2015-03-01
We present recent developments using the temperature dependent effective potential technique (TDEP) to model thermoelectric materials. We use ab initio molecular dynamics to generate an effective Hamiltonian that reproduce neutron scattering spectra, thermal conductivity, phonon self energies, and heat capacities. Results are presented for (among others) SnSe, Bi2Te3, and Cu2Se proving the necessity of careful modelling of finite temperature properties for strongly anharmonic materials. Supported by the Swedish Research Council (VR) Project Number 637-2013-7296.
Nanowave devices for terahertz acoustic phonons
NASA Astrophysics Data System (ADS)
Lanzillotti-Kimura, N. D.; Fainstein, A.; Lemaître, A.; Jusserand, B.
2006-02-01
The emergence of the area of nanophononics requires the development of terahertz (THz) acoustic devices with tailored properties. We describe nonperiodic planar nanostructures with specific THz phononic response and superior performance. We show that improved devices based on GaAs and AlAs layers can be designed using an optimization Nelder-Mead simplex method, and grown with state-of-the-art molecular beam epitaxy. We also demonstrate that high-resolution Raman scattering provides a powerful tool to characterize these devices. We illustrate the concept with results on acoustic THz edge and color filters.
Phonon densities of states of face-centered-cubic Ni-Fe alloys
Lucas, Matthew; Mauger, L; Munoz, Jorge A.; Halevy, I; Horwath, J; Semiatin, S L; Leontsev, S. O.; Stone, Matthew B; Abernathy, Douglas L; Xiao, Yuming; Chow, P; Fultz, B.
2013-01-01
Inelastic neutron scattering and nuclear resonant inelastic x-ray scattering were used to determine the phonon densities of states of face-centered-cubic Ni-Fe alloys. Increasing Fe concentration results in an average softening of the phonon modes. Chemical ordering of the Ni0.72Fe0.28 alloy results in a reduction of the partial vibrational entropy of the Fe atoms but does not significantly change the partial vibrational entropy of the Ni atoms. Changes in the phonon densities of states with composition and chemical ordering are discussed and analyzed with a cluster expansion method.
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.
Phononic crystals of spherical particles: A tight binding approach
Mattarelli, M.; Secchi, M.; Dipartimento di Fisica, Università di Trento, Via Sommarive 14, 38123 Trento ; Montagna, M.
2013-11-07
The vibrational dynamics of a fcc phononic crystal of spheres is studied and compared with that of a single free sphere, modelled either by a continuous homogeneous medium or by a finite cluster of atoms. For weak interaction among the spheres, the vibrational dynamics of the phononic crystal is described by shallow bands, with low degree of dispersion, corresponding to the acoustic spheroidal and torsional modes of the single sphere. The phonon displacements are therefore related to the vibrations of a sphere, as the electron wave functions in a crystal are related to the atomic wave functions in a tight binding model. Important dispersion is found for the two lowest phonon bands, which correspond to zero frequency free translation and rotation of a free sphere. Brillouin scattering spectra are calculated at some values of the exchanged wavevectors of the light, and compared with those of a single sphere. With weak interaction between particles, given the high acoustic impedance mismatch in dry systems, the density of phonon states consist of sharp bands separated by large gaps, which can be well accounted for by a single particle model. Based on the width of the frequency gaps, tunable with the particle size, and on the small number of dispersive acoustic phonons, such systems may provide excellent materials for application as sound or heat filters.
Magnetic moments induce strong phonon renormalization in FeSi
Krannich, S.; Sidis, Y.; Lamago, D.; Heid, R.; Mignot, J.-M.; Löhneysen, H. v.; Ivanov, A.; Steffens, P.; Keller, T.; Wang, L.; Goering, E.; Weber, F.
2015-01-01
The interactions of electronic, spin and lattice degrees of freedom in solids result in complex phase diagrams, new emergent phenomena and technical applications. While electron–phonon coupling is well understood, and interactions between spin and electronic excitations are intensely investigated, only little is known about the dynamic interactions between spin and lattice excitations. Noncentrosymmetric FeSi is known to undergo with increasing temperature a crossover from insulating to metallic behaviour with concomitant magnetic fluctuations, and exhibits strongly temperature-dependent phonon energies. Here we show by detailed inelastic neutron-scattering measurements and ab initio calculations that the phonon renormalization in FeSi is linked to its unconventional magnetic properties. Electronic states mediating conventional electron–phonon coupling are only activated in the presence of strong magnetic fluctuations. Furthermore, phonons entailing strongly varying Fe–Fe distances are damped via dynamic coupling to the temperature-induced magnetic moments, highlighting FeSi as a material with direct spin–phonon coupling and multiple interaction paths. PMID:26611619
Magnetic moments induce strong phonon renormalization in FeSi.
Krannich, S; Sidis, Y; Lamago, D; Heid, R; Mignot, J-M; Löhneysen, H v; Ivanov, A; Steffens, P; Keller, T; Wang, L; Goering, E; Weber, F
2015-01-01
The interactions of electronic, spin and lattice degrees of freedom in solids result in complex phase diagrams, new emergent phenomena and technical applications. While electron-phonon coupling is well understood, and interactions between spin and electronic excitations are intensely investigated, only little is known about the dynamic interactions between spin and lattice excitations. Noncentrosymmetric FeSi is known to undergo with increasing temperature a crossover from insulating to metallic behaviour with concomitant magnetic fluctuations, and exhibits strongly temperature-dependent phonon energies. Here we show by detailed inelastic neutron-scattering measurements and ab initio calculations that the phonon renormalization in FeSi is linked to its unconventional magnetic properties. Electronic states mediating conventional electron-phonon coupling are only activated in the presence of strong magnetic fluctuations. Furthermore, phonons entailing strongly varying Fe-Fe distances are damped via dynamic coupling to the temperature-induced magnetic moments, highlighting FeSi as a material with direct spin-phonon coupling and multiple interaction paths. PMID:26611619
Toward reversing Joule heating with a phonon-absorbing heterobarrier
NASA Astrophysics Data System (ADS)
Shin, Seungha; Kaviany, Massoud
2015-02-01
Using a graded heterobarrier placed along an electron channel, phonons emitted in Joule heating are recycled in situ by increasing the entropy of phonon-absorbing electrons. The asymmetric electric potential distribution created by alloy grading separates the phonon absorption and emission regions, and emission in the larger effective-mass region causes momentum relaxation with smaller electron kinetic energy loss. These lead to smaller overall phonon emission and simultaneous potential-gain and self-cooling effects. Larger potential is gained with lower current and higher optical-phonon temperature. The self-consistent Monte Carlo simulations complying with the lateral momentum conservation combined with the entropy analysis are applied to a GaAs:Al electron channel with a graded heterobarrier, and under ideal lateral thermal isolation from surroundings, the phonon recycling efficiency reaches 25% of the reversible limit at 350 K, and it increases with temperature. The lateral momentum contributes to the transmission across the barrier, so partially nonconserving lateral momentum electron scattering (rough interface) can improve efficiency.
Phonon-lifetimes in demixing systems
NASA Astrophysics Data System (ADS)
Davaasambuu, J.; Güthoff, F.; Petri, M.; Hradil, K.; Schober, H.; Ollivier, J.; Eckold, G.
2012-06-01
The dynamics of silver-alkali halide mixed single crystals (AgxNa1-xBr, x = 0.23, 0.35, 0.40 and 0.70) were studied by inelastic neutron scattering during the process of spinodal decomposition. Using the thermal three-axes spectrometer PUMA as well as the time-of-flight spectrometer IN5, the time evolution of phonons was observed in time-resolved, stroboscopic measurements. Complementary to the study of long wavelength acoustic phonons, as studied previously, we extended these investigations to Brillouin-zone boundary modes that are particularly sensitive to variations of the local structure. Starting from the homogeneous mixed phase the behaviour of these modes during demixing is observed in real-time. A simple dynamical model based on local structure variants helps to interpret the results. It is shown that the phonon lifetimes vary strongly during the phase separation and increase drastically during the coarsening process. Up to a critical size of precipitates of about 10 nm, zone-boundary modes are found to be strongly damped, while beyond the line widths are reduced to the experimental resolution. This finding leads to the conclusion that the typical mean free path of these modes is of the order of 10 nm, which corresponds to 20 unit cells.
Giri, Ashutosh; Hopkins, Patrick E.
2015-12-07
Several dynamic thermal and nonthermal scattering processes affect ultrafast heat transfer in metals after short-pulsed laser heating. Even with decades of measurements of electron-phonon relaxation, the role of thermal vs. nonthermal electron and phonon scattering on overall electron energy transfer to the phonons remains unclear. In this work, we derive an analytical expression for the electron-phonon coupling factor in a metal that includes contributions from equilibrium and nonequilibrium distributions of electrons. While the contribution from the nonthermal electrons to electron-phonon coupling is non-negligible, the increase in the electron relaxation rates with increasing laser fluence measured by thermoreflectance techniques cannot be accounted for by only considering electron-phonon relaxations. We conclude that electron-electron scattering along with electron-phonon scattering have to be considered simultaneously to correctly predict the transient nature of electron relaxation during and after short-pulsed heating of metals at elevated electron temperatures. Furthermore, for high electron temperature perturbations achieved at high absorbed laser fluences, we show good agreement between our model, which accounts for d-band excitations, and previous experimental data. Our model can be extended to other free electron metals with the knowledge of the density of states of electrons in the metals and considering electronic excitations from non-Fermi surface states.
First-principles prediction of phononic thermal conductivity of silicene: A comparison with graphene
NASA Astrophysics Data System (ADS)
Gu, Xiaokun; Yang, Ronggui
2015-01-01
There has been great interest in two-dimensional materials, beyond graphene, for both fundamental sciences and technological applications. Silicene, a silicon counterpart of graphene, has been shown to possess some better electronic properties than graphene. However, its thermal transport properties have not been fully studied. In this paper, we apply the first-principles-based phonon Boltzmann transport equation to investigate the thermal conductivity of silicene as well as the phonon scattering mechanisms. Although both graphene and silicene are two-dimensional crystals with similar crystal structure, we find that phonon transport in silicene is quite different from that in graphene. The thermal conductivity of silicene shows a logarithmic increase with respect to the sample size due to the small scattering rates of acoustic in-plane phonon modes, while that of graphene is finite. Detailed analysis of phonon scattering channels shows that the linear dispersion of the acoustic out-of-plane (ZA) phonon modes, which is induced by the buckled structure, makes the long-wavelength longitudinal acoustic phonon modes in silicene not as efficiently scattered as that in graphene. Compared with graphene, where most of the heat is carried by the acoustic out-of-plane (ZA) phonon modes, the ZA phonon modes in silicene only have ˜10% contribution to the total thermal conductivity, which can also be attributed to the buckled structure. This systematic comparison of phonon transport and thermal conductivity of silicene and graphene using the first-principle-based calculations shed some light on other two-dimensional materials, such as two-dimensional transition metal dichalcogenides.
First-principles prediction of phononic thermal conductivity of silicene: A comparison with graphene
Gu, Xiaokun; Yang, Ronggui
2015-01-14
There has been great interest in two-dimensional materials, beyond graphene, for both fundamental sciences and technological applications. Silicene, a silicon counterpart of graphene, has been shown to possess some better electronic properties than graphene. However, its thermal transport properties have not been fully studied. In this paper, we apply the first-principles-based phonon Boltzmann transport equation to investigate the thermal conductivity of silicene as well as the phonon scattering mechanisms. Although both graphene and silicene are two-dimensional crystals with similar crystal structure, we find that phonon transport in silicene is quite different from that in graphene. The thermal conductivity of silicene shows a logarithmic increase with respect to the sample size due to the small scattering rates of acoustic in-plane phonon modes, while that of graphene is finite. Detailed analysis of phonon scattering channels shows that the linear dispersion of the acoustic out-of-plane (ZA) phonon modes, which is induced by the buckled structure, makes the long-wavelength longitudinal acoustic phonon modes in silicene not as efficiently scattered as that in graphene. Compared with graphene, where most of the heat is carried by the acoustic out-of-plane (ZA) phonon modes, the ZA phonon modes in silicene only have ∼10% contribution to the total thermal conductivity, which can also be attributed to the buckled structure. This systematic comparison of phonon transport and thermal conductivity of silicene and graphene using the first-principle-based calculations shed some light on other two-dimensional materials, such as two-dimensional transition metal dichalcogenides.
Evolution of spin phonon coupling by substituting Cd for Zn in the frustrated spinel ZnCr2Se4
NASA Astrophysics Data System (ADS)
Chen, Xuliang; Yang, Zhaorong
2016-05-01
Frustration makes a tremendous amount of degenerate ground states which provides no energy scale of its own. Any perturbation has to be considered strong and fascinating phenomena may be emergent upon relieving of frustration. Here, we report the evolution of spin phonon coupling in the frustrated spinel system Zn1-xCdxCr2Se4 (0 ≤ x ≤ 1) from magnetization, specific heat and thermal conductivity. Our results give clear evidences that the spin-orientated structural transitions decay rapidly as x going from 0 to 0.4 while the correlations between spin and lattice degrees of freedom for 0.6 ≤ x ≤ 1 become weak and can be explained in terms of the traditional magnetostriction effect. In addition, for 0 ≤ x ≤ 0.4 thermal carriers reveal strong scattering from spin fluctuations in the vicinity of TN owing to strong frustration, in stark contrast with those for 0.6 ≤ x ≤ 1 where traditional phonon-like heat conduction behaviors are observed. Moreover, it is shown that a moderate applied magnetic field can drive readily the fluctuations-scattered thermal conductivity toward traditional phonon-like one as observed in CdCr2Se4, reaching about 30% for x = 0.4 at 25 K in 1 T. Such strong field-sensitive effects may introduce new promising functionalities for potential applications.
Ab initio phonon limited transport
NASA Astrophysics Data System (ADS)
Verstraete, Matthieu
We revisit the thermoelectric (TE) transport properties of two champion materials, PbTe and SnSe, using fully first principles methods. In both cases the performance of the material is due to subtle combinations of structural effects, scattering, and phase space reduction. In PbTe anharmonic effects are completely opposite to the predicted quasiharmonic evolution of phonon frequencies and to frequently (and incorrectly) cited extrapolations of experiments. This stabilizes the material at high T, but also tends to enhance its thermal conductivity, in a non linear manner, above 600 Kelvin. This explains why PbTe is in practice limited to room temperature applications. SnSe has recently been shown to be the most efficient TE material in bulk form. This is mainly due to a strongly enhanced carrier concentration and electrical conductivity, after going through a phase transition from 600 to 800 K. We calculate the transport coefficients as well as the defect concentrations ab initio, showing excellent agreement with experiment, and elucidating the origin of the double phase transition as well as the new charge carriers. AH Romero, EKU Gross, MJ Verstraete, and O Hellman PRB 91, 214310 (2015) O. Hellman, IA Abrikosov, and SI Simak, PRB 84 180301 (2011)
NASA Astrophysics Data System (ADS)
Li, FengLian; Wang, YueSheng; Zhang, ChuanZeng
2016-06-01
A boundary element method (BEM) is presented to compute the transmission spectra of two-dimensional (2-D) phononic crystals of a square lattice which are finite along the x-direction and infinite along the y-direction. The cross sections of the scatterers may be circular or square. For a periodic cell, the boundary integral equations of the matrix and the scatterers are formulated. Substituting the periodic boundary conditions and the interface continuity conditions, a linear equation set is formed, from which the elastic wave transmission can be obtained. From the transmission spectra, the band gaps can be identified, which are compared with the band structures of the corresponding infinite systems. It is shown that generally the transmission spectra completely correspond to the band structures. In addition, the accuracy and the efficiency of the boundary element method are analyzed and discussed.
Yamasaka, Shuto; Nakamura, Yoshiaki; Ueda, Tomohiro; Takeuchi, Shotaro; Sakai, Akira
2015-01-01
Phonon transport in Si films was controlled using epitaxially-grown ultrasmall Ge nanodots (NDs) with ultrahigh density for the purpose of developing Si-based thermoelectric materials. The Si/Ge ND stacked structures, which were formed by the ultrathin SiO2 film technique, exhibited lower thermal conductivities than those of the conventional nanostructured SiGe bulk alloys, despite the stacked structures having a smaller Ge fraction. This came from the large thermal resistance caused by phonon scattering at the Si/Ge ND interfaces. The phonon scattering can be controlled by the Ge ND structure, which was independent of Si layer structure for carrier transport. These results demonstrate the effectiveness of ultrasmall epitaxial Ge NDs as phonon scattering sources, opening up a route for the realisation of Si-based thermoelectric materials. PMID:26434678
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.
NASA Astrophysics Data System (ADS)
Vardanyan, K. A.; Vartanian, A. L.; Stepanyan, A. G.; Kirakosyan, A. A.
2015-10-01
The spin-relaxation time due to the electron-acoustic phonon scattering in GaAs quantum dots is studied after the exact diagonalization of the electron Hamiltonian with the spin-orbit coupling. It has been shown that in comparison with flexural phonons, the electron coupling with the dilatational phonons causes 3 orders faster spin relaxation. We have found that the relaxation rate of the spin-flip is an order of magnitude smaller than that of the spin- conserving.
NASA Astrophysics Data System (ADS)
Zhu, Peng-Wei; Edward, Graham; Nichols, Lance
2009-12-01
The effects of additives on the distributions of lamellar morphology and orientation in sheared isotactic polypropylene were investigated using the small beam of synchrotron small-angle x-ray scattering. The Cu-phthalocyanine can template the lamellar orientation even under low shear rates, whereas the ultramarine blue cannot. The surface contact is suggested to play a role in stabilizing the formation of oriented nuclei which subsequently direct the growth of oriented lamellae. The additives have no notable effects on the long spacing in the shear region. However, at high shear rates, they decrease the thickness of crystalline lamellae or increase the thickness of amorphous lamellae. Since the additives increase the degree of volume crystalline in the shear region, the number of crystalline lamellae should be increased. The results are helpful in designing and selecting suitable additives for controlling lamellar morphology and orientation.
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.
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
Heterodyne signal-to-noise ratios in acoustic mode scattering experiments
NASA Technical Reports Server (NTRS)
Cochran, W. R.
1980-01-01
The relation between the signal to noise ratio (SNR) obtained in heterodyne detection of radiation scattered from acoustic modes in crystalline solids and the scattered spectral density function is studied. It is shown that in addition to the information provided by the measured frequency shifts and line widths, measurement of the SNR provides a determination of the absolute elasto-optical (Pockel's) constants. Examples are given for cubic crystals, and acceptable SNR values are obtained for scattering from thermally excited phonons at 10.6 microns, with no external perturbation of the sample necessary. The results indicate the special advantages of the method for the study of semiconductors.
Single-photon scattering in an optomechanical Jaynes-Cummings model
NASA Astrophysics Data System (ADS)
Ng, K. H.; Law, C. K.
2016-04-01
We investigate an optomechanical system which realizes the Jaynes-Cummings (JC) model known in cavity QED. Such a system consists of a single photon and an optomechanical cavity with two optical cavity modes and one mechanical mode. Under the resonance condition when the mechanical frequency is close to the frequency difference between the optical modes, the photon and phonons can be strongly coupled. We present an analytic solution of single-photon scattering and show that the spectrum of the scattered photon exhibits excitation-number-dependent Rabi splitting of the JC model. In addition, we examine the response of the mechanical mode to a sequence of single photons, with one photon in the cavity at a time. We show that sequential photon scattering can efficiently excite the mechanical mode and generate sub-Poisson phonon statistics.
NASA Astrophysics Data System (ADS)
Fahy, Stephen; Murphy-Armando, Felipe; Trigo, Mariano; Savic, Ivana; Murray, Eamonn; Reis, David
We have calculated the time-evolution of carriers and generated phonons in Ge after ultrafast photo-excitation above the direct band-gap. The relevant electron-phonon and anharmonic phonon scattering rates are obtained from first-principles electronic structure calculations. Measurements of the x-ray diffuse scattering after excitation near the L point in the Brillouin zone find a relatively slow (5 ps, compared to the typical electron-phonon energy relaxation of the Gamma-L phonon) increase of the phonon population. We find this is due to emission caused by the scattering of electrons between the Delta and L valleys, after the initial depopulation of the Gamma valley. The relative slowness of this process is due to a combination of causes: (i) the finite time for the initial depopulation of the conduction Gamma valley; (ii) the associated electron-phonon coupling is relatively weaker (compared to Gamma-L, Gamma-Delta and Delta-Delta couplings) ; (iii) the TA associated phonon has a long lifetime and (iv) the depopulation of the Delta valley suppresses the phonon emission. Supported by Science Foundation Ireland, Grant 12/1A/1601.
Shear Brillouin light scattering microscope.
Kim, Moonseok; Besner, Sebastien; Ramier, Antoine; Kwok, Sheldon J J; An, Jeesoo; Scarcelli, Giuliano; Yun, Seok Hyun
2016-01-11
Brillouin spectroscopy has been used to characterize shear acoustic phonons in materials. However, conventional instruments had slow acquisition times over 10 min per 1 mW of input optical power, and they required two objective lenses to form a 90° scattering geometry necessary for polarization coupling by shear phonons. Here, we demonstrate a confocal Brillouin microscope capable of detecting both shear and longitudinal phonons with improved speeds and with a single objective lens. Brillouin scattering spectra were measured from polycarbonate, fused quartz, and borosilicate in 1-10 s at an optical power level of 10 mW. The elastic constants, phonon mean free path and the ratio of the Pockels coefficients were determined at microscopic resolution. PMID:26832263
Coherent heat transport in 2D phononic crystals with acoustic impedance mismatch
NASA Astrophysics Data System (ADS)
Arantes, A.; Anjos, V.
2016-03-01
In this work we have calculated the cumulative thermal conductivities of micro-phononic crystals formed by different combinations of inclusions and matrices at a sub-Kelvin temperature regime. The low-frequency phonon spectra (up to tens of GHz) were obtained by solving the generalized wave equation for inhomogeneous media with the plane wave expansion method. The thermal conductivity was calculated from Boltzmann transport theory highlighting the role of the low-frequency thermal phonons and neglecting phonon-phonon scattering. A purely coherent thermal transport regime was assumed throughout the structures. Our findings show that the cumulative thermal conductivity drops dramatically when compared with their bulk counterpart. Depending on the structural composition this reduction may be attributed to the phonon group velocity due to a flattening of the phonon dispersion relation, the extinction of phonon modes in the density of states or due to the presence of complete band gaps. According to the contrast between the inclusions and the matrices, three types of two dimensional phononic crystals were considered: carbon/epoxy, carbon/polyethylene and tungsten/silicon, which correspond respectively to a moderate, strong and very strong mismatch in the mechanical properties of these materials.
Phonon anharmonicity in silicon from 100 to 1500 K
Kim, D. S.; Smith, Hillary L.; Niedziela, Jennifer L.; Li, Chen W.; Abernathy, Douglas L.; Fultz, B.
2015-01-21
Inelastic neutron scattering was performed on silicon powder to measure the phonon density of states (DOS) from 100 to 1500 K. The mean fractional energy shifts with temperature of the modes weremore » $$\\langle$$Δεi/εiΔT$$\\rangle$$=₋0.07, giving a mean isobaric Grüneisen parameter of +6.95±0.67, which is significantly different from the isothermal parameter of +0.98. These large effects are beyond the predictions from quasiharmonic models using density functional theory or experimental data, demonstrating large effects from phonon anharmonicity. At 1500 K the anharmonicity contributes 0.15kB/atom to the vibrational entropy, compared to 0.03kB/atom from quasiharmonicity. Lastly, excellent agreement was found between the entropy from phonon DOS measurements and the reference NIST-JANAF thermodynamic entropy from calorimetric measurements.« less
Reconciling perturbative approaches in phonon-assisted transport junctions
NASA Astrophysics Data System (ADS)
Agarwalla, Bijay Kumar; Segal, Dvira
2016-02-01
We present consistent results for molecular conduction using two central-complementary approaches: the non-equilibrium Green's function technique and the quantum master equation method. Our model describes electronic conduction in a donor-acceptor junction in which electron transfer is coupled to nuclear motion, modeled by a harmonic vibrational mode. This primary mode is further coupled to secondary phonon modes, a thermal bath. Assuming weak electron-phonon coupling but an arbitrary large molecule-metal hybridization, we compute several non-equilibrium transport quantities: the mean phonon number of the primary mode, charge current statistics. We further present scaling relations for the cumulants valid in the large voltage regime. Our analysis illustrates that the non-equilibrium Green's function technique and the quantum master equation method can be worked out consistently, when taking into account corresponding scattering processes.
Anharmonic phonons and magnons in BiFeO3
Delaire, Olivier A; Ma, Jie; Stone, Matthew B; Huq, Ashfia; Gout, Delphine J; Brown, Craig; Wang, Kefeng; Ren, Zhifeng
2012-01-01
The phonon density of states (DOS) and magnetic excitation spectrum of polycrystalline BiFeO3 were measured for temperatures 200 < T < 750K , using inelastic neutron scattering (INS). Our results indicate that the magnetic spectrum of BiFeO3 closely resembles that of similar Fe perovskites, such as LaFeO3, despite the cycloid modulation in BiFeO3. We do not find any evidence for a spin gap. A strong T-dependence of the phonon DOS was found, with a marked broadening of the whole spectrum, providing evidence of strong anharmonicity. This anharmonicity is corroborated by large amplitude motions of Bi and O ions observed with neutron diffraction. These results highlight the importance of spin-phonon coupling in this material.
Reconciling perturbative approaches in phonon-assisted transport junctions.
Agarwalla, Bijay Kumar; Segal, Dvira
2016-02-21
We present consistent results for molecular conduction using two central-complementary approaches: the non-equilibrium Green's function technique and the quantum master equation method. Our model describes electronic conduction in a donor-acceptor junction in which electron transfer is coupled to nuclear motion, modeled by a harmonic vibrational mode. This primary mode is further coupled to secondary phonon modes, a thermal bath. Assuming weak electron-phonon coupling but an arbitrary large molecule-metal hybridization, we compute several non-equilibrium transport quantities: the mean phonon number of the primary mode, charge current statistics. We further present scaling relations for the cumulants valid in the large voltage regime. Our analysis illustrates that the non-equilibrium Green's function technique and the quantum master equation method can be worked out consistently, when taking into account corresponding scattering processes. PMID:26896971
Phonon anharmonicity in silicon from 100 to 1500 K
Kim, D. S.; Smith, Hillary L.; Niedziela, Jennifer L.; Li, Chen W.; Abernathy, Douglas L.; Fultz, B.
2015-01-21
Inelastic neutron scattering was performed on silicon powder to measure the phonon density of states (DOS) from 100 to 1500 K. The mean fractional energy shifts with temperature of the modes were $\\langle$Δε_{i}/ε_{i}ΔT$\\rangle$=₋0.07, giving a mean isobaric Grüneisen parameter of +6.95±0.67, which is significantly different from the isothermal parameter of +0.98. These large effects are beyond the predictions from quasiharmonic models using density functional theory or experimental data, demonstrating large effects from phonon anharmonicity. At 1500 K the anharmonicity contributes 0.15k_{B}/atom to the vibrational entropy, compared to 0.03k_{B}/atom from quasiharmonicity. Lastly, excellent agreement was found between the entropy from phonon DOS measurements and the reference NIST-JANAF thermodynamic entropy from calorimetric measurements.
Theory of light-enhanced phonon-mediated superconductivity
NASA Astrophysics Data System (ADS)
Sentef, M. A.; Kemper, A. F.; Georges, A.; Kollath, C.
2016-04-01
We investigate the dynamics of a phonon-mediated superconductor driven out of equilibrium. The electronic hopping amplitude is ramped down in time, resulting in an increased electronic density of states. The dynamics of the coupled electron-phonon model is investigated by solving Migdal-Eliashberg equations for the double-time Keldysh Green's functions. The increase of the density of states near the Fermi level leads to an enhancement of superconductivity when the system thermalizes to the new state at the same temperature. We provide a time- and momentum-resolved view on this thermalization process and show that it involves fast processes associated with single-particle scattering and much slower dynamics associated with the superconducting order parameter. The importance of electron-phonon coupling for the rapid enhancement and the efficient thermalization of superconductivity is demonstrated, and the results are compared to a BCS time-dependent mean-field approximation.
NASA Astrophysics Data System (ADS)
Vallabhaneni, Ajit K.; Singh, Dhruv; Bao, Hua; Murthy, Jayathi; Ruan, Xiulin
2016-03-01
Raman spectroscopy has been widely used to measure thermal conductivity (κ ) of two-dimensional (2D) materials such as graphene. This method is based on a well-accepted assumption that different phonon polarizations are in near thermal equilibrium. However, in this paper, we show that, in laser-irradiated single-layer graphene, different phonon polarizations are in strong nonequilibrium, using predictive simulations based on first principles density functional perturbation theory and a multitemperature model. We first calculate the electron cooling rate due to phonon scattering as a function of the electron and phonon temperatures, and the results clearly illustrate that optical phonons dominate the hot electron relaxation process. We then use these results in conjunction with the phonon scattering rates computed using perturbation theory to develop a multitemperature model and resolve the spatial temperature distributions of the energy carriers in graphene under steady-state laser irradiation. Our results show that electrons, optical phonons, and acoustic phonons are in strong nonequilibrium, with the flexural acoustic (ZA) phonons showing the largest nonequilibrium to other phonon modes, mainly due to their weak coupling to other carriers in suspended graphene. Since ZA phonons are the main heat carriers in graphene, we estimate that neglecting this nonequilibrium leads to underestimation of thermal conductivity in experiments at room temperature by a factor of 1.35 to 2.6, depending on experimental conditions and assumptions used. Underestimation is also expected in Raman measurements of other 2D materials when the optical-acoustic phonon coupling is weak.
Phonon Density of States and Heat Capacity of La$_{3-x}$Te$_4$
Delaire, Olivier A; May, Andrew F.; McGuire, Michael A; Porter, Wallace D; Lucas,; Stone, Matthew B; Abernathy, Douglas L; Snyder, G. J.
2009-01-01
The phonon density of states (DOS) of La$_{3-x}$Te$_4$ compounds ($x=0.0, 0.18, 0.32$) was measured at 300, 520, and 780$\\,$K, using inelastic neutron scattering. A significant stiffening of the phonon DOS, and a large broadening of features were observed upon introduction of vacancies on La sites (increasing $x$). Heat capacity measurements were performed at temperatures $~1.85 \\leqslant T \\leqslant 1200 \\,$K, and were analyzed to quantify the contributions of phonons and electrons. The Debye temperature and the electronic coefficient of heat capacity determined from these measurements are consistent with the neutron scattering results, and with previously reported first-principles calculations. Our results indicate that La vacancies in La$_{3-x}$Te$_4$ strongly scatter phonons, and this source of scattering appears to be independent of temperature. The stiffening of the phonon DOS induced by the introduction of vacancies is explained in terms of the electronic structure and the change in bonding. The temperature dependence of the phonon DOS is captured satisfactorily by the quasiharmonic approximation.
Phonon arithmetic in a trapped ion system.
Um, Mark; Zhang, Junhua; Lv, Dingshun; Lu, Yao; An, Shuoming; Zhang, Jing-Ning; Nha, Hyunchul; Kim, M S; Kim, Kihwan
2016-01-01
Single-quantum level operations are important tools to manipulate a quantum state. Annihilation or creation of single particles translates a quantum state to another by adding or subtracting a particle, depending on how many are already in the given state. The operations are probabilistic and the success rate has yet been low in their experimental realization. Here we experimentally demonstrate (near) deterministic addition and subtraction of a bosonic particle, in particular a phonon of ionic motion in a harmonic potential. We realize the operations by coupling phonons to an auxiliary two-level system and applying transitionless adiabatic passage. We show handy repetition of the operations on various initial states and demonstrate by the reconstruction of the density matrices that the operations preserve coherences. We observe the transformation of a classical state to a highly non-classical one and a Gaussian state to a non-Gaussian one by applying a sequence of operations deterministically. PMID:27097897
Phonon arithmetic in a trapped ion system
NASA Astrophysics Data System (ADS)
Um, Mark; Zhang, Junhua; Lv, Dingshun; Lu, Yao; An, Shuoming; Zhang, Jing-Ning; Nha, Hyunchul; Kim, M. S.; Kim, Kihwan
2016-04-01
Single-quantum level operations are important tools to manipulate a quantum state. Annihilation or creation of single particles translates a quantum state to another by adding or subtracting a particle, depending on how many are already in the given state. The operations are probabilistic and the success rate has yet been low in their experimental realization. Here we experimentally demonstrate (near) deterministic addition and subtraction of a bosonic particle, in particular a phonon of ionic motion in a harmonic potential. We realize the operations by coupling phonons to an auxiliary two-level system and applying transitionless adiabatic passage. We show handy repetition of the operations on various initial states and demonstrate by the reconstruction of the density matrices that the operations preserve coherences. We observe the transformation of a classical state to a highly non-classical one and a Gaussian state to a non-Gaussian one by applying a sequence of operations deterministically.
Phonon arithmetic in a trapped ion system
Um, Mark; Zhang, Junhua; Lv, Dingshun; Lu, Yao; An, Shuoming; Zhang, Jing-Ning; Nha, Hyunchul; Kim, M. S.; Kim, Kihwan
2016-01-01
Single-quantum level operations are important tools to manipulate a quantum state. Annihilation or creation of single particles translates a quantum state to another by adding or subtracting a particle, depending on how many are already in the given state. The operations are probabilistic and the success rate has yet been low in their experimental realization. Here we experimentally demonstrate (near) deterministic addition and subtraction of a bosonic particle, in particular a phonon of ionic motion in a harmonic potential. We realize the operations by coupling phonons to an auxiliary two-level system and applying transitionless adiabatic passage. We show handy repetition of the operations on various initial states and demonstrate by the reconstruction of the density matrices that the operations preserve coherences. We observe the transformation of a classical state to a highly non-classical one and a Gaussian state to a non-Gaussian one by applying a sequence of operations deterministically. PMID:27097897
Thermally triggered phononic gaps in liquids at THz scale.
Bolmatov, Dima; Zhernenkov, Mikhail; Zav'yalov, Dmitry; Stoupin, Stanislav; Cunsolo, Alessandro; Cai, Yong Q
2016-01-01
In this paper we present inelastic X-ray scattering experiments in a diamond anvil cell and molecular dynamic simulations to investigate the behavior of phononic excitations in liquid Ar. The spectra calculated using molecular dynamics were found to be in a good agreement with the experimental data. Furthermore, we observe that, upon temperature increases, a low-frequency transverse phononic gap emerges while high-frequency propagating modes become evanescent at the THz scale. The effect of strong localization of a longitudinal phononic mode in the supercritical phase is observed for the first time. The evidence for the high-frequency transverse phononic gap due to the transition from an oscillatory to a ballistic dynamic regimes of motion is presented and supported by molecular dynamics simulations. This transition takes place across the Frenkel line thermodynamic limit which demarcates compressed liquid and non-compressed fluid domains on the phase diagram and is supported by calculations within the Green-Kubo phenomenological formalism. These results are crucial to advance the development of novel terahertz thermal devices, phononic lenses, mirrors, and other THz metamaterials. PMID:26763899
Nonlinear Transport and Noise Properties of Acoustic Phonons
NASA Astrophysics Data System (ADS)
Walczak, Kamil
We examine heat transport carried by acoustic phonons in molecular junctions composed of organic molecules coupled to two thermal baths of different temperatures. The phononic heat flux and its dynamical noise properties are analyzed within the scattering (Landauer) formalism with transmission probability function for acoustic phonons calculated within the method of atomistic Green's functions (AGF technique). The perturbative computational scheme is used to determine nonlinear corrections to phononic heat flux and its noise power spectral density with up to the second order terms with respect to temperature difference. Our results show the limited applicability of ballistic Fourier's law and fluctuation-dissipation theorem to heat transport in quantum systems. We also derive several noise-signal relations applicable to nanoscale heat flow carried by phonons, but valid for electrons as well. We also discuss the extension of the perturbative transport theory to higher order terms in order to address a huge variety of problems related to nonlinear thermal effects which may occur at nanoscale and at strongly non-equilibrium conditions with high-intensity heat fluxes. This work was supported by Pace University Start-up Grant.
Thermally triggered phononic gaps in liquids at THz scale
Bolmatov, Dima; Zhernenkov, Mikhail; Zav’yalov, Dmitry; Stoupin, Stanislav; Cunsolo, Alessandro; Cai, Yong Q.
2016-01-01
In this paper we present inelastic X-ray scattering experiments in a diamond anvil cell and molecular dynamic simulations to investigate the behavior of phononic excitations in liquid Ar. The spectra calculated using molecular dynamics were found to be in a good agreement with the experimental data. Furthermore, we observe that, upon temperature increases, a low-frequency transverse phononic gap emerges while high-frequency propagating modes become evanescent at the THz scale. The effect of strong localization of a longitudinal phononic mode in the supercritical phase is observed for the first time. The evidence for the high-frequency transverse phononic gap due to the transition from an oscillatory to a ballistic dynamic regimes of motion is presented and supported by molecular dynamics simulations. This transition takes place across the Frenkel line thermodynamic limit which demarcates compressed liquid and non-compressed fluid domains on the phase diagram and is supported by calculations within the Green-Kubo phenomenological formalism. These results are crucial to advance the development of novel terahertz thermal devices, phononic lenses, mirrors, and other THz metamaterials. PMID:26763899
Phonon-limited transport coefficients in extrinsic graphene
NASA Astrophysics Data System (ADS)
Munoz, Enrique
2013-03-01
The effect of electron-phonon scattering processes over the thermoelectric properties of extrinsic graphene was studied. Electron-phonon interaction is formulated in the second quantization language, for chiral Dirac spinor fields and phonon Bose fields, within the deformation potential approximation. Electrical and thermal resistivity, as well as the thermopower, were calculated within the Bloch theory approximations. Analytical expressions for the different transport coefficients were obtained from a variational solution of the Boltzmann transport equation. The phonon-limited electrical resistivity ρe - ph shows a linear in temperature dependence at high temperatures, and follows a ρe - ph ~T4 at low temperatures, in agreement with experiments. The phonon-limited thermal resistivity at low temperatures exhibits a ~ T dependence and achieves a nearly constant value at high temperatures. The predicted Seebeck coefficient at very low temperature is Q (T) ~π2kB T / (3 eEF) , which shows a n - 1 / 2 dependence with the carrier density, in agreement with experiments. E M aknowledges financial support from Fondecyt Grant 11100064
Thermally triggered phononic gaps in liquids at THz scale
Bolmatov, Dima; Zhernenkov, Mikhail; Zavyalov, Dmitry; Stoupin, Stanislav; Cunsolo, Alessandro; Cai, Yong Q.
2016-01-14
In this study we present inelastic X-ray scattering experiments in a diamond anvil cell and molecular dynamic simulations to investigate the behavior of phononic excitations in liquid Ar. The spectra calculated using molecular dynamics were found to be in a good agreement with the experimental data. Furthermore, we observe that, upon temperature increases, a low-frequency transverse phononic gap emerges while high-frequency propagating modes become evanescent at the THz scale. The effect of strong localization of a longitudinal phononic mode in the supercritical phase is observed for the first time. The evidence for the high-frequency transverse phononic gap due to themore » transition from an oscillatory to a ballistic dynamic regimes of motion is presented and supported by molecular dynamics simulations. This transition takes place across the Frenkel line thermodynamic limit which demarcates compressed liquid and non-compressed fluid domains on the phase diagram and is supported by calculations within the Green-Kubo phenomenological formalism. These results are crucial to advance the development of novel terahertz thermal devices, phononic lenses, mirrors, and other THz metamaterials.« less
Phonon properties of graphene derived from molecular dynamics simulations
Koukaras, Emmanuel N.; Kalosakas, George; Galiotis, Costas; Papagelis, Konstantinos
2015-01-01
A method that utilises atomic trajectories and velocities from molecular dynamics simulations has been suitably adapted and employed for the implicit calculation of the phonon dispersion curves of graphene. Classical potentials widely used in the literature were employed. Their performance was assessed for each individual phonon branch and the overall phonon dispersion, using available inelastic x-ray scattering data. The method is promising for systems with large scale periodicity, accounts for anharmonic effects and non-bonding interactions with a general environment, and it is applicable under finite temperatures. The temperature dependence of the phonon dispersion curves has been examined with emphasis on the doubly degenerate Raman active Γ-E2g phonon at the zone centre, where experimental results are available. The potentials used show diverse behaviour. The Tersoff-2010 potential exhibits the most systematic and physically sound behaviour in this regard, and gives a first-order temperature coefficient of χ = −0.05 cm−1/K for the Γ-E2g shift in agreement with reported experimental values. PMID:26316252
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.
NASA Astrophysics Data System (ADS)
Phuc, Huynh Vinh; Hien, Nguyen Dinh; Dinh, Le; Phong, Tran Cong
2016-06-01
The effect of confined phonons on the phonon-assisted cyclotron resonance (PACR) via both one and two photon absorption processes in a quantum well is theoretically studied. We consider cases when electrons are scattered by confined optical phonons described by the Fuchs-Kliewer slab, Ridley's guided, and Huang-Zhu models. The analytical expression of the magneto-optical absorption coefficient (MOAC) is obtained by relating it to the transition probability for the absorption of photons. It predicts resonant peaks caused by transitions between Landau levels and electric subband accompanied by confined phonons emission in the absorption spectrum. The MOAC and the full-width at half-maximum (FWHM) for the intra- and inter-subband transitions are given as functions of the magnetic field, temperature, and quantum well width. In narrow quantum wells, the phonon confinement becomes more important and should be taken into account in studying FWHM.
Pseudogap and anharmonic phonon behavior in Ba8Ga16Ge30: An NMR study
NASA Astrophysics Data System (ADS)
Sirusi, Ali A.; Ross, Joseph H.
2016-08-01
We have performed 69Ga, 71Ga, and 137Ba NMR on Ba8Ga16Ge30, a clathrate semiconductor which has been of considerable interest due to its large figure of merit for thermoelectric applications. In measurements from 4 K to 450 K, we used measurements on the two Ga nuclei to separate the magnetic and electric quadrupole hyperfine contributions and thereby gain information about the metallic and phonon behavior. The results show the presence of a pseudogap in the Ga electronic states within the conduction band, superposed upon a large Ba contribution to the conduction band. Meanwhile the phonon contributions to the Ga relaxation rates are large and increase more rapidly with temperature than typical semiconductors. These results provide evidence for enhanced anharmonicity of the propagative phonon modes over a wide range, providing experimental evidence for enhanced phonon-phonon scattering as a mechanism for the reduced thermal conductivity.
Pseudogap and anharmonic phonon behavior in Ba8Ga16Ge30: An NMR study.
Sirusi, Ali A; Ross, Joseph H
2016-08-01
We have performed (69)Ga, (71)Ga, and (137)Ba NMR on Ba8Ga16Ge30, a clathrate semiconductor which has been of considerable interest due to its large figure of merit for thermoelectric applications. In measurements from 4 K to 450 K, we used measurements on the two Ga nuclei to separate the magnetic and electric quadrupole hyperfine contributions and thereby gain information about the metallic and phonon behavior. The results show the presence of a pseudogap in the Ga electronic states within the conduction band, superposed upon a large Ba contribution to the conduction band. Meanwhile the phonon contributions to the Ga relaxation rates are large and increase more rapidly with temperature than typical semiconductors. These results provide evidence for enhanced anharmonicity of the propagative phonon modes over a wide range, providing experimental evidence for enhanced phonon-phonon scattering as a mechanism for the reduced thermal conductivity. PMID:27497567
Edwards, D.F.
1988-09-30
A tutorial presentation is given of Raman scattering in crystals. The physical concepts are emphasized rather than the detailed mathematical formalism. Starting with an introduction to the concepts of phonons and conservation laws, the effects of photon-phonon interactions are presented. This interaction concept is shown for a simple cubic crystal and is extended to a uniaxial crystal. The correlation table method is used for determining the number and symmetry of the Raman active modes. Finally, examples are given to illustrate the relative ease of using this group theoretical method and the predictions are compared with measured Raman spectra. 37 refs., 17 figs., 6 tabs.
Effect of polarization field on mean free path of phonons in indium nitride
NASA Astrophysics Data System (ADS)
Sahoo, Sushant Kumar
2016-05-01
The effect of built-in-polarization field on mean free path of acoustic phonons in bulk wurtzite indium nitride (InN) has been theoretically investigated. The elastic constant of the material gets modified due to the existence of polarization field. As a result velocity and Debye frequency of phonons get enhanced. The various scattering rates of phonons are suppressed by the effect of polarization field, which implies an enhanced combined relaxation time. Thus phonons travel freely for a longer distance between two successive scatterings. This would enhance the thermal transport properties of the material when built-in-polarization field taken into account. Hence by the application of electric field the transport properties of such materials can be controlled as and when desired.
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.
Phonon dispersion in thalous halides
NASA Astrophysics Data System (ADS)
Kushwaha, Manvir S.
1984-07-01
The phonon dispersion relations, phonon density of states, g( v), and Debye-characteristic temperature, θ D, of TlCl and TlBr have been studied. The theoretical model adopted for this purpose is a 9-parameter bond-bending force model (BBFM) which was recently developed and successfully applied to study the crystal dynamics of CsCl-structure crystals. The theoretical results compare well with the available measurements for phonon dispersion in the high symmetry directions. The discrepancy between calculated and experimental values of θ D, particularly at higher temperatures, is reasonably attributed to the predominating anharmonic effects. The values of the compressibilities (χ), calculated using the Brout sum rule, are in a reasonably good agreement with the existing observed values. A critical-point-phonon analysis has also been performed to interpret the observed infrared (IR) and Raman peaks.
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.
Decomposition model for phonon thermal conductivity of a monatomic lattice
NASA Astrophysics Data System (ADS)
Evteev, Alexander V.; Momenzadeh, Leila; Levchenko, Elena V.; Belova, Irina V.; Murch, Graeme E.
2014-12-01
An analytical treatment of decomposition of the phonon thermal conductivity of a crystal with a monatomic unit cell is developed on the basis of a two-stage decay of the heat current autocorrelation function observed in molecular dynamics simulations. It is demonstrated that the contributions from the acoustic short- and long-range phonon modes to the total phonon thermal conductivity can be presented in the form of simple kinetic formulas, consisting of products of the heat capacity and the average relaxation time of the considered phonon modes as well as the square of the average phonon velocity. On the basis of molecular dynamics calculations of the heat current autocorrelation function, this treatment allows for a self-consistent numerical evaluation of the aforementioned variables. In addition, the presented analysis allows, within the Debye approximation, for the identification of the temperature range where classical molecular dynamics simulations can be employed for the prediction of phonon thermal transport properties. As a case example, Cu is considered.
Phonon dynamics of neptunium chalcogenides
NASA Astrophysics Data System (ADS)
Aynyas, Mahendra; Rukmangad, Aditi; Arya, Balwant S.; Sanyal, Sankar P.
2012-06-01
We have performed phonon calculations of Neptunium Chalcogenides (NpX) (X= S, Se, Te) based on breathing shell model (BSM) which includes breathing motion of electron of the Np-atoms due to f-d hybridization. The model predicts that the short range breathing phenomenon play a dominant role in the phonon properties. We also report, for the first time specific heat for these compounds.
Electron-hole asymmetry in the electron-phonon coupling in top-gated phosphorene transistor
NASA Astrophysics Data System (ADS)
Chakraborty, Biswanath; Nath Gupta, Satyendra; Singh, Anjali; Kuiri, Manabendra; Kumar, Chandan; Muthu, D. V. S.; Das, Anindya; Waghmare, U. V.; Sood, A. K.
2016-03-01
Using in situ Raman scattering from phosphorene channel in an electrochemically top-gated field effect transistor, we show that phonons with A g symmetry depend much more strongly on concentration of electrons than that of holes, wheras phonons with B g symmetry are insensitive to doping. With first-principles theoretical analysis, we show that the observed electon-hole asymmetry arises from the radically different constitution of its conduction and valence bands involving π and σ bonding states respectively, whose symmetry permits coupling with only the phonons that preserve the lattice symmetry. Thus, Raman spectroscopy is a non-invasive tool for measuring electron concentration in phosphorene-based nanoelectronic devices.
Near-Field Infrared Pump-Probe Imaging of Surface Phonon Coupling in Boron Nitride Nanotubes.
Gilburd, Leonid; Xu, Xiaoji G; Bando, Yoshio; Golberg, Dmitri; Walker, Gilbert C
2016-01-21
Surface phonon modes are lattice vibrational modes of a solid surface. Two common surface modes, called longitudinal and transverse optical modes, exhibit lattice vibration along or perpendicular to the direction of the wave. We report a two-color, infrared pump-infrared probe technique based on scattering type near-field optical microscopy (s-SNOM) to spatially resolve coupling between surface phonon modes. Spatially varying couplings between the longitudinal optical and surface phonon polariton modes of boron nitride nanotubes are observed, and a simple model is proposed. PMID:26727539
Phonon blocking by two dimensional electron gas in polar CdTe/PbTe heterojunctions
Zhang, Bingpo; Cai, Chunfeng; Zhu, He; Wu, Feifei; Ye, Zhenyu; Chen, Yongyue; Li, Ruifeng; Kong, Weiguang; Wu, Huizhen
2014-04-21
Narrow-gap lead telluride crystal is an important thermoelectric and mid-infrared material in which phonon functionality is a critical issue to be explored. In this Letter, efficient phonon blockage by forming a polar CdTe/PbTe heterojunction is explicitly observed by Raman scattering. The unique phonon screening effect can be interpreted by recent discovery of high-density two dimensional electrons at the polar CdTe/PbTe(111) interface which paves a way for design and fabrication of thermoelectric devices.
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.
Soft Phonons in (delta)-Phase Plutonium Near the (delta)-(alpha)' Transition
Xu, R; Wong, J; Zshack, P; Hong, H; Chiang, T
2007-09-13
Plutonium and its alloys exhibit complex phase diagrams that imply anomalous lattice dynamics near phase stability boundaries. Specifically, the TA [111] phonon branch in Ga-stabilized {delta}-Pu at room temperature shows a pronounced soft mode at the zone boundary, which suggests a possible connection to the martensitic transformation from the fcc {delta}-phase to the monoclinic {alpha}{prime}-phase at low temperatures. This work is a study of the lattice dynamics of this system by x-ray thermal diffuse scattering. The results reveal little temperature dependence of the phonon frequencies, thus indicating that kinetic phonon softening is not responsible for this phase transition.
Direct evaluation of ballistic phonon transport in a multi-walled carbon nanotube
Hayashi, Hiroyuki; Takahashi, Koji; Ikuta, Tatsuya; Nishiyama, Takashi; Takata, Yasuyuki; Zhang, Xing
2014-03-17
Phonon confinement and in situ thermal conductance measurements in an individual multi-walled carbon nanotube (MWNT) are reported. Focused ion beam (FIB) irradiation was used to successively shorten a 4.8 μm long MWNT, eventually yielding a 0.3 μm long MWNT. After the first FIB irradiation, a 41% reduction in conductance was achieved, compared with that of the pristine MWNT. This was because the contributions from phonons with long free paths were excluded by scattering at FIB-induced defects. Phonon transport in linked multiple-length nanotubes was also investigated.
Soft phonons in δ-phase plutonium near the δ-α' transition
NASA Astrophysics Data System (ADS)
Xu, Ruqing; Wong, Joe; Zschack, Paul; Hong, Hawoong; Chiang, Tai-C.
2008-04-01
Plutonium and its alloys exhibit complex phase diagrams that imply anomalous lattice dynamics near phase stability boundaries. Specifically, the TA [111] phonon branch in Ga-stabilized δ-Pu at room temperature shows a pronounced soft mode at the zone boundary, which suggests a possible connection to the martensitic transformation from the fcc δ-phase to the monoclinic α'-phase at low temperatures. This work is a study of the lattice dynamics of this system by X-ray thermal diffuse scattering. The results reveal little temperature dependence of the phonon frequencies, thus indicating that kinetic phonon softening is not responsible for this phase transition.
Fine Structure of the Low-Frequency Raman Phonon Bands of Single-Wall Carbon Nanotubes
NASA Technical Reports Server (NTRS)
Iliev, M. N.; Litvinchuk, A. P.; Arepalli, S.; Nikolaev, P.; Scott, C. D.
1999-01-01
The Raman spectra of singled-wall carbon nanotubes (SWNT) produced by laser and are process were studied between 5 and 500 kappa. The line width vs. temperature dependence of the low-frequency Raman bands between 150 and 200/ cm deviates from that expected for phonon decay through phonon-phonon scattering mechanism. The experimental results and their analysis provided convincing evidence that each of the low-frequency Raman lines is a superposition of several narrower Raman lines corresponding to tubes of nearly the same diameter. The application of Raman spectroscopy to probe the distribution of SWNT by both diameter and chirality is discussed.
Collective hypersonic excitations in strongly multiple scattering colloids.
Still, T; Gantzounis, G; Kiefer, D; Hellmann, G; Sainidou, R; Fytas, G; Stefanou, N
2011-04-29
Unprecedented low-dispersion high-frequency acoustic excitations are observed in dense suspensions of elastically hard colloids. The experimental phononic band structure for SiO(2) particles with different sizes and volume fractions is well represented by rigorous full-elastodynamic multiple-scattering calculations. The slow phonons, which do not relate to particle resonances, are localized in the surrounding liquid medium and stem from coherent multiple scattering that becomes strong in the close-packing regime. Such rich phonon-matter interactions in nanostructures, being still unexplored, can open new opportunities in phononics. PMID:21635048
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
NASA Astrophysics Data System (ADS)
Bao, Bin; Guyomar, Daniel; Lallart, Mickaël
2016-09-01
This article proposes a nonlinear tri-interleaved piezoelectric topology based on the synchronized switch damping on inductor (SSDI) technique, which can be applied to phononic metamaterials for elastic wave control and effective low-frequency vibration reduction. A comparison of the attenuation performance is made between piezoelectric phononic metamaterial with distributed SSDI topology (each SSDI shunt being independently connected to a single piezoelectric element) and piezoelectric phononic metamaterial with the proposed electronic topology. Theoretical results show excellent band gap hybridization (near-coupling between Bragg scattering mechanism and wideband resonance mechanism induced by synchronized switch damping networks in piezoelectric phononic metamaterials) with the proposed electronic topology over the investigated frequency domain. Furthermore, piezoelectric phononic metamaterials with proposed electronic topology generated a better low-frequency broadband gap, which is experimentally validated by measuring the harmonic response of a piezoelectric phononic metamaterial beam under clamped–clamped boundary conditions.
Phonon Knudsen flow in GaAs/AlAs superlattices
Hyldgaard, P.; Mahan, G.D. |
1995-09-01
The measured in-plane thermal conductivity, {delta}{sub SL} of GaAs/AlAs superlattices with even moderate layer thicknesses are significantly smaller than the weighted average, {delta}{sub l} = 67 W/Km, of the bulk GaAs and AlAs conductivities. One expects a suppression of the thermal conductivity to that of an actual Al{sub 0.5}Ga{sub 0.5}As alloy when the thickness of the GaAs and AlAs layers approaches that of a single monolayer. However, the observed superlattice thermal conductivity remains suppressed even at layer thickness {approx_gt} 10 nm. The low thermal conductivities, and very high mobilities, make n-doped GaAs/AlAs superlattices attractive possibilities for thermoelectric devices. With Molecular-Beam-Epitaxial grown GaAs/AlAs superlattices one can expect the individual GaAs and AlAs layers to be extremely clean. Defect and/or alloy scattering is limited to be near the heterostructure interfaces. The authors estimate the room-temperature phonon mean-free-path to be 42 (22) nm for the longitudinal (transverse) mode and thus comparable to or smaller than the layer thicknesses. Thus they expect an important phonon scattering at the interfaces. They study this phonon scattering at the superlattice interfaces assuming a Knudsen flow characterized by diffusive scattering. The solid curve in the figure shows the Knudsen-flow theory estimated for the superlattice thermal conductivity which shows a significant reduction when the layer thickness is shorter than the estimated phonon mean free paths.
Ab initio calculations of phonon properties and spectra in condensed matter
NASA Astrophysics Data System (ADS)
Story, Shauna M.
Phonons, the quantization of atomic vibrations, are important in studying many solid state properties, ranging from Raman, infrared, and neutron scattering to thermal expansion, specific heat, and heat conductivity to electrical resistivity and superconductivity. Generally, modeling the interatomic forces and vibrational modes of a given system require costly computer simulations, though once calculated, they provide the means to a wide variety of phonon properties. Our goal is to enable easy access to these phonon properties and to do this, we have developed a framework for easily automating the workflows involved in interfacing a phonon mode calculation with the analysis tools for determining such physical properties. This was originally implemented with the AI2PS (ab initio to phonon spectra) tool, meant solely for the calculation of vibrational properties. It has since greatly expanded in scope and capabilities to a general scientific workflow tool called Corvus, which was started with the eventual goal of collecting all our various scientific workflow efforts---phonon properties, optical properties, and so on---into a single hub. We present here both the evolution of AI2PS into the Corvus project and the phonon properties simulated, including Debye--Waller factors, phonon contributions the electron self--energy and spectral function, vibrational free energy, thermal expansion, and heat capacity.
NASA Astrophysics Data System (ADS)
Hao, Qing; Xiao, Yue; Zhao, Hongbo
2016-08-01
In the past two decades, phonon transport within nanoporous thin films has attracted enormous attention for their potential applications in thermoelectrics and thermal insulation. Various computational studies have been carried out to explain the thermal conductivity reduction within these thin films. Considering classical phonon size effects, the lattice thermal conductivity can be predicted assuming diffusive pore-edge scattering of phonons and bulk phonon mean free paths. Following this, detailed phonon transport can be simulated for a given porous structure to find the lattice thermal conductivity [Hao et al., J. Appl. Phys. 106, 114321 (2009)]. However, such simulations are intrinsically complicated and cannot be used for the data analysis of general samples. In this work, the characteristic length Λ P o r e of periodic nanoporous thin films is extracted by comparing the predictions of phonon Monte Carlo simulations and the kinetic relationship using bulk phonon mean free paths modified by Λ P o r e . Under strong ballistic phonon transport, Λ P o r e is also extracted by the Monte Carlo ray-tracing method for graphene with periodic nanopores. The presented model can be widely used to analyze the measured thermal conductivities of such nanoporous structures.
Nomura, Masahiro; Kage, Yuta; Müller, David; Moser, Dominik; Paul, Oliver
2015-06-01
Electrical and thermal properties of polycrystalline Si thin films with two-dimensional phononic patterning were investigated at room temperature. Electrical and thermal conductivities for the phononic crystal nanostructures with a variety of radii of the circular holes were measured to systematically investigate the impact of the nanopatterning. The concept of phonon-glass and electron-crystal is valid in the investigated electron and phonon transport systems with the neck size of 80 nm. The thermal conductivity is more sensitive than the electrical conductivity to the nanopatterning due to the longer mean free path of the thermal phonons than that of the charge carriers. The values of the figure of merit ZT were 0.065 and 0.035, and the enhancement factors were 2 and 4 for the p-doped and n-doped phononic crystals compared to the unpatterned thin films, respectively, when the characteristic size of the phononic crystal nanostructure is below 100 nm. The greater enhancement factor of ZT for the n-doped sample seems to result from the strong phonon scattering by heavy phosphorus atoms at the grain boundaries.
Gilman, J.J.
1996-12-31
In crystals (and/or glasses) with localized sp{sup 3} or spd-bonding orbitals, dislocations have very low mobilities, making the crystals very hard. Classical Peierls-Nabarro theory does not account for the low mobility. The breaking of spin-pair bonds which creates internal free-radicals must be considered. Therefore, a theory based on quantum mechanics has been proposed (Science, 261, 1436 (1993)). It has been applied successfully to diamond, Si, Ge, SiC, and with a modification to TiC and WC. It has recently been extended to account for the temperature independence of the hardness of silicon at low temperatures together with strong softening at temperatures above the Debye temperature. It is quantitatively consistent with the behaviors of the Group 4 elements (C, Si, Ge, Sn) when their Debye temperatures are used as normalizing factors; and appears to be consistent with data for TiC if an Einstein temperature for carbon is used. Since the Debye temperature marks the approximate point at which phonons of atomic wavelengths become excited (as contrasted with collective acoustic waves), this confirms the idea that the process which limits dislocation mobility is localized to atomic dimensions (sharp kinks).
ERIC Educational Resources Information Center
Hamilton, M. W.
2007-01-01
A nonlinear aspect of the acousto-optic interaction that is analogous to multi-photon absorption is discussed. An experiment is described in which the second-order acousto-optically scattered intensity is measured and found to scale with the square of the acoustic intensity. This experiment using a commercially available acousto-optic modulator is…
Hopkins, Patrick E.; Duda, John C.; Kaehr, Bryan; Wang Zhou, Xiao; Peter Yang, C.-Y.; Jones, Reese E.
2013-11-18
We study the scattering mechanisms driving electron-phonon relaxation in thin gold films via pump-probe time-domain thermoreflectance. Electron-electron scattering can enhance the effective rate of electron-phonon relaxation when the electrons are out of equilibrium with the phonons. In order to correctly and consistently infer electron-phonon coupling factors in films on different substrates, we must account for the increase in steady-state lattice temperature due to laser heating. Our data provide evidence that a thermalized electron population will not directly exchange energy with the substrate during electron-phonon relaxation, whereas this pathway can exist between a non-equilibrium distribution of electrons and a non-metallic substrate.
NASA Astrophysics Data System (ADS)
Kaasbjerg, Kristen; Bhargavi, K. S.; Kubakaddi, S. S.
2014-10-01
We study hot-electron cooling by acoustic and optical phonons in monolayer MoS2. The cooling power P (Pe=P /n ) is investigated as a function of electron temperature Te (0-500 K) and carrier density n (1010-1013 cm-2) taking into account all relevant electron-phonon (el-ph) couplings. We find that the crossover from acoustic phonon dominated cooling at low Te to optical phonon dominated cooling at higher Te takes place at Te˜50 -75 K. The unscreened deformation potential (DP) coupling to the TA phonon is shown to dominate P due to acoustic phonon scattering over the entire temperature and density range considered. The cooling power due to screened DP coupling to the LA phonon and screened piezoelectric (PE) coupling to the TA and LA phonons is orders of magnitude lower. In the Bloch-Grüneisen (BG) regime, P ˜Te4(Te6) is predicted for unscreened (screened) el-ph interaction and P ˜n-1 /2(Pe˜n-3 /2) for both unscreened and screened el-ph interaction. The cooling power due to optical phonons is dominated by zero-order DP couplings and the Fröhlich interaction, and is found to be significantly reduced by the hot-phonon effect when the phonon relaxation time due to phonon-phonon scattering is large compared to the relaxation time due to el-ph scattering. The Te and n dependence of the hot-phonon distribution function is also studied. Our results for monolayer MoS2 are compared with those in conventional two-dimensional electron gases (2DEGs) as well as monolayer and bilayer graphene.
Raman and infrared study of 4f electron-phonon coupling in HoVO3.
Roberge, B; Balli, M; Jandl, S; Fournier, P; Palstra, T T M; Nugroho, A A
2016-11-01
First-order Raman scattering and multiphonons are studied in RVO3 (R = Ho and Y) as a function of temperature in the orthorhombic and monoclinic phases. Raman spectra of HoVO3 and YVO3 unveil similar features since both compounds have nearly identical R-radii. However, the most important difference lies in the transition temperature involving the V(3+) orbitals, the V(3+) magnetic moments as well as the crystallographic structure. Particularly, the magnetic and orbital reorientations occur at T N2 = 40 K for HoVO3 instead T N2 =77 K in the case of YVO3. For both systems, anomalous phonon shifts which are related to spin-phonon coupling are observed below the V(3+) magnetic ordering temperature (T N1 ≈ 110 K) while additional phonon anomalies are exclusively observed in HoVO3 around T (*) ≈ 15 K. On the other hand, infrared (IR) transmittance measurements as a function of temperature reveal Ho(3+5)I8 → (5)I7 excitations and additional excitations assigned as vibronics. These latter combined with drastic changes in Ho(3+5)I8 → (5)I7 excitations at T N2, are indicative of a strong coupling between the Ho(3+) ions and the ligand field. This could explain the large magnetocaloric capacity shown by HoVO3. PMID:27603503
Gholamrezaie, Fatemeh; de Leeuw, Dago M; Meskers, Stefan C J
2016-06-01
Scattering matrix theory is used to describe resonant optical properties of molecular monolayers. Three types of coupling are included: exciton-exciton, exciton-photon, and exciton-phonon coupling. We use the K-matrix formalism, developed originally to describe neutron scattering spectra in nuclear physics to compute the scattering of polaritons by phonons. This perturbation approach takes into account the three couplings and allows one to go beyond molecular exciton theory without the need of introducing additional boundary conditions for the polariton. We demonstrate that reflection, absorption, and extinction of light by 2D self-assembled monolayers of molecules containing quinque-thiophene chromophoric groups can be calculated. The extracted coherence length of the Frenkel exciton is discussed. PMID:27276952
NASA Astrophysics Data System (ADS)
Gholamrezaie, Fatemeh; de Leeuw, Dago M.; Meskers, Stefan C. J.
2016-06-01
Scattering matrix theory is used to describe resonant optical properties of molecular monolayers. Three types of coupling are included: exciton-exciton, exciton-photon, and exciton-phonon coupling. We use the K-matrix formalism, developed originally to describe neutron scattering spectra in nuclear physics to compute the scattering of polaritons by phonons. This perturbation approach takes into account the three couplings and allows one to go beyond molecular exciton theory without the need of introducing additional boundary conditions for the polariton. We demonstrate that reflection, absorption, and extinction of light by 2D self-assembled monolayers of molecules containing quinque-thiophene chromophoric groups can be calculated. The extracted coherence length of the Frenkel exciton is discussed.
Frequency characteristics of defect states in a two-dimensional phononic crystal with slit structure
NASA Astrophysics Data System (ADS)
Wang, X. P.; Jiang, P.; Chen, T. N.; Yu, K. P.
2016-02-01
In this paper, the defect state and band gap characteristics in a two-dimensional slit structure phononic crystal, consisting of slotted steel tubes embedded in an air matrix, are investigated theoretically and experimentally. Using the finite element method and supercell technique, the dispersion relationships and power transmission spectra of the slit structures are calculated. The vibration modes of the band gap edges are analyzed to clarify the mechanism of the generation of the band gaps. Additionally, the influence of the slit width on the band gaps in slit structure is investigated. The slit width was found to influence the band gaps; this is critical to understand for practical applications. Based on this finding, a method to form defect scatterers by changing the slit width of a single central scatterer, or one row of scatterers, in the perfect PC was developed. Defect bands can be induced by creating defects inside the original complete band gaps. The frequency can then be tuned by changing the slit width of defect scatterers. Meanwhile, the relationship between point defect and line defect is investigated. Finally, we verify the results of theoretical research by experiments. These results will help in fabricating devices such as acoustic filters and waveguides whose band frequency can be modulated.
Matsushita, Stephane Yu; Matsui, Kazuki; Kato, Hiroki; Suto, Shozo; Yamada, Taro
2014-03-14
We have measured the surface phonon dispersion curves on the hydrogen-terminated Si(110)-(1×1) surface with the two-dimensional space group of p2mg along the two highly symmetric and rectangular directions of ΓX{sup ¯} and ΓX{sup ′¯} using high-resolution electron-energy-loss spectroscopy. All the essential energy-loss peaks on H:Si(110) were assigned to the vibrational phonon modes by using the selection rules of inelastic electron scattering including the glide-plane symmetry. Actually, the surface phonon modes of even-symmetry to the glide plane (along ΓX{sup ¯}) were observed in the first Brillouin zone, and those of odd-symmetry to the glide plane were in the second Brillouin zone. The detailed assignment was made by referring to theoretical phonon dispersion curves of Gräschus et al. [Phys. Rev. B 56, 6482 (1997)]. We found that the H–Si stretching and bending modes, which exhibit highly anisotropic dispersion, propagate along ΓX{sup ¯} direction as a one-dimensional phonon. Judging from the surface structure as well as our classical and quantum mechanical estimations, the H–Si stretching phonon propagates by a direct repulsive interaction between the nearest neighbor H atoms facing each other along ΓX{sup ¯}, whereas the H–Si bending phonon propagates by indirect interaction through the substrate Si atomic linkage.
Current & Heat Transport in Graphene Nanoribbons: Role of Non-Equilibrium Phonons
NASA Astrophysics Data System (ADS)
Pennington, Gary; Finkenstadt, Daniel
2010-03-01
The conducting channel of a graphitic nanoscale device is expected to experience a larger degree of thermal isolation when compared to traditional inversion channels of electronic devices. This leads to enhanced non-equilibrium phonon populations which are likely to adversely affect the mobility of graphene-based nanoribbons due to enhanced phonon scattering. Recent reports indicating the importance of carrier scattering with substrate surface polar optical phonons in carbon nanotubes^1 and graphene^2,3 show that this mechanism may allow enhanced heat removal from the nanoribbon channel. To investigate the effects of hot phonon populations on current and heat conduction, we solve the graphene nanoribbon multiband Boltzmann transport equation. Monte Carlo transport techniques are used since phonon populations may be tracked and updated temporally.^4 The electronic structure is solved using the NRL Tight-Binding method,^5 where carriers are scattered by confined acoustic, optical, edge and substrate polar optical phonons. [1] S. V. Rotkin et al., Nano Lett. 9, 1850 (2009). [2] J. H. Chen, C. Jang, S. Xiao, M. Ishigami and M. S. Fuhrer, Nature Nanotech. 3, 206 (2008). [3] V. Perebeinos and P. Avouris, arXiv:0910.4665v1 [cond-mat.mes-hall] (2009). [4] P. Lugli et al., Appl. Phys. Lett. 50, 1251 (1987). [5] D. Finkenstadt, G. Pennington & M.J. Mehl, Phys. Rev. B 76, 121405(R) (2007).
Mechanisms of nonequilibrium electron-phonon coupling and thermal conductance at interfaces
Giri, Ashutosh; Gaskins, John T.; Donovan, Brian F.; Szwejkowski, Chester; Hopkins, Patrick E.; Warzoha, Ronald J.; Rodriguez, Mark A.; Ihlefeld, Jon
2015-03-14
We study the electron and phonon thermal coupling mechanisms at interfaces between gold films with and without Ti adhesion layers on various substrates via pump-probe time-domain thermoreflectance. The coupling between the electronic and the vibrational states is increased by more than a factor of five with the inclusion of an ∼3 nm Ti adhesion layer between the Au film and the non-metal substrate. Furthermore, we show an increase in the rate of relaxation of the electron system with increasing electron and lattice temperatures induced by the laser power and attribute this to enhanced electron-electron scattering, a transport channel that becomes more pronounced with increased electron temperatures. The inclusion of the Ti layer also results in a linear dependence of the electron-phonon relaxation rate with temperature, which we attribute to the coupling of electrons at and near the Ti/substrate interface. This enhanced electron-phonon coupling due to electron-interface scattering is shown to have negligible influence on the Kapitza conductances between the Au/Ti and the substrates at longer time scales when the electrons and phonons in the metal have equilibrated. These results suggest that only during highly nonequilibrium conditions between the electrons and phonons (T{sub e} ≫ T{sub p}) does electron-phonon scattering at an interface contribute to thermal boundary conductance.
NASA Astrophysics Data System (ADS)
Qian, Jun
This research work contains two main parts: the theoretical study of confined phonon modes and electron states in confined graphene nanostructures; the experimental part including two topics about fabricating a graphene-FET aptamer-sensor for cocaine detection and the study of the electronic transport properties of dsDNA. In the theory part, we study the confined optical phonon modes in graphene nanoribbons (GNR) and rectangular graphene quantum dots (RGQD) by the elastic continuum model. The carrier states are studied by effective mass approximation. The phonon bottleneck effect is expected in general for RGQDs. The scattering rates are calculated for specific RGQDs with carefully chosen dimensions to fulfill the momentum and energy conservation conditions. In the experimental part, we have developed a combined technique of semiconductor processes and molecular biological protocols to fabricate a signal-off graphene-FET aptamer-sensor for cocaine. In addition, DNA transport properties were studied by STM on GNP-dsDNA-Au conjugates in atmospheric condition. The dsDNA-complexes exhibit as a slightly n-type semiconductor by simulated with a Landauer-type model. A geometrical model is proposed to explain the distinct I-V spectra.
Phonon Josephson junction with nanomechanical resonators
NASA Astrophysics Data System (ADS)
Barzanjeh, Shabir; Vitali, David
2016-03-01
We study coherent phonon oscillations and tunneling between two coupled nonlinear nanomechanical resonators. We show that the coupling between two nanomechanical resonators creates an effective phonon Josephson junction, which exhibits two different dynamical behaviors: Josephson oscillation (phonon-Rabi oscillation) and macroscopic self-trapping (phonon blockade). Self-trapping originates from mechanical nonlinearities, meaning that when the nonlinearity exceeds its critical value, the energy exchange between the two resonators is suppressed, and phonon Josephson oscillations between them are completely blocked. An effective classical Hamiltonian for the phonon Josephson junction is derived and its mean-field dynamics is studied in phase space. Finally, we study the phonon-phonon coherence quantified by the mean fringe visibility, and show that the interaction between the two resonators may lead to the loss of coherence in the phononic junction.
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.
NASA Astrophysics Data System (ADS)
Sakuragi, Mina; Koiwai, Kazunori; Nakamura, Kouji; Masunaga, Hiroyasu; Ogawa, Hiroki; Sakurai, Kazuo
2011-01-01
PEGylated liposomes composed of a benzamidine derivative (TRX), hydrogenated soybean phosphatidylcholine (HSPC), and N-(monomethoxy-polyethyleneglycolcarbamyl) distearoyl phosphatidylethanolamine (PEG-PE) were examined in terms of how the addition of TRX affects their structures with small angle x-ray scattering (SAXS) as well as transmission electron microscopy (TEM). TEM images showed the presence of unilamella vesicles for both with and without TRX, though a small amount of multilamella vesicles were observed in absence of TRX. We analyzed SAXS profiles at contained TRX composition combined with contrast variation technique by adding PEG solution and unilamella vesicle model could be reproduced. Subsequently, we analyzed SAXS profiles at no TRX composition. The mixture model of unilamella and multilamella vesicle was reconstructed and we estimated about 10 % multilamella vesicles from a fitting parameter.
Early-stage relaxation of electrons by phonon emission.
NASA Astrophysics Data System (ADS)
Castella, Hervé; Kuznetsov, A. V.; Wilkins, J. W.
1998-03-01
Pump-probe experiments give insight into the relaxation of electrons during the first femtoseconds after the optical excitation. A theoretical description of this early-time regime requires a proper treatment of retardation effects for the different scattering processes. The scattering of electrons by optical phonons is investigated within the S-matrix formalism.(A. V. Kuznetsov, Ann. Phys. 258), 157 (1997) This perturbative scheme is directly compared to the non-equilibrium Green's function technique of Kadanoff and Baym. The scheme is used to numerically compute both the interband polarization and the momentum distribution function for a bulk semiconductor excited by a short laser pulse.
Optical polarization and intervalley scattering in single layers of MoS2 and MoSe2
NASA Astrophysics Data System (ADS)
Jonker, Berend; Kioseoglou, George; Hanbicki, Aubrey; Currie, Marc; Friedman, Adam; NRL / U. Crete Collaboration; NRL / U. Crete Collaboration
We probe the valley population dynamics in MoSe2 and MoS2 by selectively populating the K and K' valleys with circularly polarized light while systematically varying the laser excitation energy. For both systems, the difference in the excitation energy and photoluminescence emission energy, d E =Epump - EPL, governs the depopulation of carriers in each valley. Adding more energy above a distinct threshold characteristic of the longitudinal acoustic (LA) phonon for each material enables inter-valley scattering and produces a sharp decrease in the observed circular polarization. LA phonons in these two systems have different energies (30 meV for MoS2 and 19 meV for MoSe2) , and we show that the threshold for the excess energy required to initiate the depolarization process clearly reflects the material specific phonon energy. In addition, our results show that independent of how many carriers are excited, i.e. whether you create neutral or charged excitons, the scattering process is the same. We find that the key parameter for the depolarization process is the extra kinetic energy of the exciton - depolarization is due to intervalley scattering that begins to occur when the exciton energy exceeds a threshold corresponding to twice the LA phonon energy. This work was supported by core programs at NRL, and by the Air Force Office of Scientific Research #AOARD 14IOA018-134141.
NASA Astrophysics Data System (ADS)
Mandal, Amrita; Mitra, Sreemanta; Datta, Anindya; Banerjee, Sourish; Dhara, Sandip; Chakravorty, Dipankar
2012-10-01
Two dimensional wurtzite ZnS nanosheets with thickness of 0.6 nm are grown within the interlayer spaces of sodium fluorophlogopite mica (Na-4 mica) using ion-exchange-cum-solution treatment method followed by sulfidation treatment at 873 K. The presence of wurtzite ZnS is confirmed by x-ray diffraction, electron microscopy, and Raman scattering studies. The two dimensional form of ZnS gives rise to a strong quantum confinement with the band gap blue shifted by 1.7 eV. Thickness of the nanosheet is confirmed using atomic force microscopy. Raman scattering studies show higher order transverse optical modes due to increased deformation potential in reduced dimension. In contrast to red shift of optical phonon modes in phonon confinement model, a blue shift observed is ascribed to a compressive stress on ZnS nanosheets grown within Na-4 mica interlayer spaces. An additional band at 315 cm-1 is assigned to surface optical phonon. Unusual broadening in room temperature photoluminescence spectrum may be due to strong coupling of excitons with overtones of longitudinal optical phonon modes.
Femtosecond electron imaging of defect-modulated phonon dynamics
NASA Astrophysics Data System (ADS)
Cremons, Daniel R.; Plemmons, Dayne A.; Flannigan, David J.
2016-04-01
Precise manipulation and control of coherent lattice oscillations via nanostructuring and phonon-wave interference has the potential to significantly impact a broad array of technologies and research areas. Resolving the dynamics of individual phonons in defect-laden materials presents an enormous challenge, however, owing to the interdependent nanoscale and ultrafast spatiotemporal scales. Here we report direct, real-space imaging of the emergence and evolution of acoustic phonons at individual defects in crystalline WSe2 and Ge. Via bright-field imaging with an ultrafast electron microscope, we are able to image the sub-picosecond nucleation and the launch of wavefronts at step edges and resolve dispersion behaviours during propagation and scattering. We discover that the appearance of speed-of-sound (for example, 6 nm ps-1) wavefronts are influenced by spatially varying nanoscale strain fields, taking on the appearance of static bend contours during propagation. These observations provide unprecedented insight into the roles played by individual atomic and nanoscale features on acoustic-phonon dynamics.
Phonon localization drives polar nanoregions in a relaxor ferroelectric
Manley, Michael E; Lynn, Jeffrey; Specht, Eliot D; Delaire, Olivier A; Bishop, Alan; Sahul, Raffi; Budai, John D
2014-01-01
Relaxor ferroelectrics1, which are utilized as actuators and sensors2-4, exemplify a class of poorly understood materials where interplay between disorder and phase instability results in inhomogeneous nanoregions. There is no definitive explanation for the onset of relaxor behavior (Burns temperature5, Td) or the origin of polar nanoregions (PNRs). Here we show a vibrational mode that localizes on cooling to Td, remains localized as PNRs form, and then delocalizes as PNRs grow using neutron scattering on relaxor (Pb(Mg1/3Nb2/3)O3)0.69-(PbTiO3)0.31 (PMN-31%PT). Although initially appearing like intrinsic local modes (ILMs)6-10, these modes differ below Td as they form a resonance with the ferroelectric phonon. At the resonance, nanoregions of standing ferroelectric phonons develop with a coherence length matching the PNRs. The size, shape, distribution, and temporal fluctuations of PNRs, and our observations, are explained by ferroelectric phonons trapped by disordered resonance modes via Anderson localization11-13. Our results show the size and shape of PNRs are not dictated by complex structural details, as always assumed, but by a phonon resonance wavevector. This simplification could guide the design of next generation relaxors.
Optical phonons in PbTe/CdTe multilayer heterostructures
Novikova, N. N.; Yakovlev, V. A.; Kucherenko, I. V.; Karczewski, G.; Aleshchenko, Yu. A.; Muratov, A. V.; Zavaritskaya, T. N.; Melnik, N. N.
2015-05-15
The infrared reflection spectra of PbTe/CdTe multilayer nanostructures grown by molecular-beam epitaxy are measured in the frequency range of 20–5000 cm{sup −1} at room temperature. The thicknesses and high-frequency dielectric constants of the PbTe and CdTe layers and the frequencies of the transverse optical (TO) phonons in these structures are determined from dispersion analysis of the spectra. It is found that the samples under study are characterized by two TO phonon frequencies, equal to 28 and 47 cm{sup −1}. The first frequency is close to that of TO phonons in bulk PbTe, and the second is assigned to the optical mode in structurally distorted interface layers. The Raman-scattering spectra upon excitation with the radiation of an Ar{sup +} laser at 514.5 nm are measured at room and liquid-nitrogen temperatures. The weak line at 106 cm{sup −1} observed in these spectra is attributed to longitudinal optical phonons in the interface layers.
Femtosecond electron imaging of defect-modulated phonon dynamics
Cremons, Daniel R.; Plemmons, Dayne A.; Flannigan, David J.
2016-01-01
Precise manipulation and control of coherent lattice oscillations via nanostructuring and phonon-wave interference has the potential to significantly impact a broad array of technologies and research areas. Resolving the dynamics of individual phonons in defect-laden materials presents an enormous challenge, however, owing to the interdependent nanoscale and ultrafast spatiotemporal scales. Here we report direct, real-space imaging of the emergence and evolution of acoustic phonons at individual defects in crystalline WSe2 and Ge. Via bright-field imaging with an ultrafast electron microscope, we are able to image the sub-picosecond nucleation and the launch of wavefronts at step edges and resolve dispersion behaviours during propagation and scattering. We discover that the appearance of speed-of-sound (for example, 6 nm ps−1) wavefronts are influenced by spatially varying nanoscale strain fields, taking on the appearance of static bend contours during propagation. These observations provide unprecedented insight into the roles played by individual atomic and nanoscale features on acoustic-phonon dynamics. PMID:27079790
Femtosecond electron imaging of defect-modulated phonon dynamics.
Cremons, Daniel R; Plemmons, Dayne A; Flannigan, David J
2016-01-01
Precise manipulation and control of coherent lattice oscillations via nanostructuring and phonon-wave interference has the potential to significantly impact a broad array of technologies and research areas. Resolving the dynamics of individual phonons in defect-laden materials presents an enormous challenge, however, owing to the interdependent nanoscale and ultrafast spatiotemporal scales. Here we report direct, real-space imaging of the emergence and evolution of acoustic phonons at individual defects in crystalline WSe2 and Ge. Via bright-field imaging with an ultrafast electron microscope, we are able to image the sub-picosecond nucleation and the launch of wavefronts at step edges and resolve dispersion behaviours during propagation and scattering. We discover that the appearance of speed-of-sound (for example, 6 nm ps(-1)) wavefronts are influenced by spatially varying nanoscale strain fields, taking on the appearance of static bend contours during propagation. These observations provide unprecedented insight into the roles played by individual atomic and nanoscale features on acoustic-phonon dynamics. PMID:27079790
Phonon-induced topological insulation
NASA Astrophysics Data System (ADS)
Saha, Kush; Garate, Ion
2014-05-01
We develop an approximate theory of phonon-induced topological insulation in Dirac materials. In the weak-coupling regime, long-wavelength phonons may favor topological phases in Dirac insulators with direct and narrow band gaps. This phenomenon originates from electron-phonon matrix elements, which change qualitatively under a band inversion. A similar mechanism applies to weak Coulomb interactions and spin-independent disorder; however, the influence of these on band topology is largely independent of temperature. As applications of the theory, we evaluate the temperature dependence of the critical thickness and the critical stoichiometric ratio for the topological transition in CdTe/HgTe quantum wells and in BiTl(S1-δSeδ)2, respectively.
YPHON: A package for calculating phonons of polar materials
NASA Astrophysics Data System (ADS)
Wang, Yi; Chen, Long-Qing; Liu, Zi-Kui
2014-11-01
In our recent works, we have developed a mixed-space approach within the framework of direct method for the first-principle calculation of phonon properties. It makes full use of the accuracy of the force constants calculated in the real space and the dipole-dipole interactions in the reciprocal space, making the accurate phonon calculation possible with the direct method for polar materials. In this paper, an efficient C++ implementation of the mixed-space approach, YPHON, is provided as open source, including demos and Linux scripts for extracting input data to YPHON from the output of VASP.5. The functions of the current package include the calculations of: (1) the phonon dispersions; (2) the phonon density of states; (3) the neutron scattering section weighted phonon density of state; (4) the phonons of the high symmetry structure using the force constants from low symmetry structure; (5) the phonon dispersions of random alloys; and (6) the analysis of the vibrational modes using the point group theory. Catalogue identifier: AETS_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AETS_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 567815 No. of bytes in distributed program, including test data, etc.: 9763594 Distribution format: tar.gz Programming language: C++, Linux scripts. Computer: Linux systems with a g++ or C++ compiler. Operating system: Linux. RAM: Ranges from a few Mbytes to a few Gbytes, dynamically depending on the system size. Classification: 7.8. External routines: GSL-the GNU Scientific Library (GSL) is a numerical library for C and C++ programmers. VASP.5 or later for the calculations of force constants and dielectric constants and Born effective charge for polar materials. Nature of problem: This package has the purpose of computing
NASA Astrophysics Data System (ADS)
Sohier, Thibault; Calandra, Matteo; Park, Cheol-Hwan; Bonini, Nicola; Marzari, Nicola; Mauri, Francesco
2014-09-01
We use first-principles calculations, at the density-functional-theory (DFT) and GW levels, to study both the electron-phonon interaction for acoustic phonons and the "synthetic" vector potential induced by a strain deformation (responsible for an effective magnetic field in case of a nonuniform strain). In particular, the interactions between electrons and acoustic phonon modes, the so-called gauge-field and deformation potential, are calculated at the DFT level in the framework of linear response. The zero-momentum limit of acoustic phonons is interpreted as a strain of the crystal unit cell, allowing the calculation of the acoustic gauge-field parameter (synthetic vector potential) within the GW approximation as well. We find that using an accurate model for the polarizations of the acoustic phonon modes is crucial to obtain correct numerical results. Similarly, in the presence of a strain deformation, the relaxation of atomic internal coordinates cannot be neglected. The role of electronic screening on the electron-phonon matrix elements is carefully investigated. We then solve the Boltzmann equation semianalytically in graphene, including both acoustic and optical phonon scattering. We show that, in the Bloch-Grüneisen and equipartition regimes, the electronic transport is mainly ruled by the unscreened acoustic gauge field, while the contribution due to the deformation potential is negligible and strongly screened. We show that the contribution of acoustic phonons to resistivity is doping and substrate independent, in agreement with experimental observations. The first-principles calculations, even at the GW level, underestimate this contribution to resistivity by ≈30%. At high temperature (T >270 K), the calculated resistivity underestimates the experimental one more severely, the underestimation being larger at lower doping. We show that, besides remote phonon scattering, a possible explanation for this disagreement is the electron-electron interaction
Robust Phonon-Plasmon Coupling in Quasifreestanding Graphene on Silicon Carbide.
Koch, R J; Fryska, S; Ostler, M; Endlich, M; Speck, F; Hänsel, T; Schaefer, J A; Seyller, Th
2016-03-11
Using inelastic electron scattering in combination with dielectric theory simulations on differently prepared graphene layers on silicon carbide, we demonstrate that the coupling between the 2D plasmon of graphene and the surface optical phonon of the substrate cannot be quenched by modification of the interface via intercalation. The intercalation rather provides additional modes like, e.g., the silicon-hydrogen stretch mode in the case of hydrogen intercalation or the silicon-oxygen vibrations for water intercalation that couple to the 2D plasmons of graphene. Furthermore, in the case of bilayer graphene with broken inversion symmetry due to charge imbalance between the layers, we observe a similar coupling of the 2D plasmon to an internal infrared-active mode, the LO phonon mode. The coupling of graphene plasmons to vibrational modes of the substrate surface and internal infrared active modes is envisioned to provide an excellent tool for tailoring the plasmon band structure of monolayer and bilayer graphene for plasmonic devices such as plasmon filters or plasmonic waveguides. The rigidity of the effect furthermore suggests that it may be of importance for other 2D materials as well. PMID:27015502
Robust Phonon-Plasmon Coupling in Quasifreestanding Graphene on Silicon Carbide
NASA Astrophysics Data System (ADS)
Koch, R. J.; Fryska, S.; Ostler, M.; Endlich, M.; Speck, F.; Hänsel, T.; Schaefer, J. A.; Seyller, Th.
2016-03-01
Using inelastic electron scattering in combination with dielectric theory simulations on differently prepared graphene layers on silicon carbide, we demonstrate that the coupling between the 2D plasmon of graphene and the surface optical phonon of the substrate cannot be quenched by modification of the interface via intercalation. The intercalation rather provides additional modes like, e.g., the silicon-hydrogen stretch mode in the case of hydrogen intercalation or the silicon-oxygen vibrations for water intercalation that couple to the 2D plasmons of graphene. Furthermore, in the case of bilayer graphene with broken inversion symmetry due to charge imbalance between the layers, we observe a similar coupling of the 2D plasmon to an internal infrared-active mode, the LO phonon mode. The coupling of graphene plasmons to vibrational modes of the substrate surface and internal infrared active modes is envisioned to provide an excellent tool for tailoring the plasmon band structure of monolayer and bilayer graphene for plasmonic devices such as plasmon filters or plasmonic waveguides. The rigidity of the effect furthermore suggests that it may be of importance for other 2D materials as well.
Schell, Norbert; Borany, Johannes von; Hauser, Jens
2007-01-19
We report the design of a sputter deposition chamber for the in situ study of film growth and modification by synchrotron x-ray diffraction and reflectivity. The chamber is sealed with four Be-windows allowing unhindered scattering access of -2 up to +50 degrees off-plane and -2.9 up to +65 degrees in-plane, respectively. The chamber fits into a standard six-circle diffractometer from HUBER which is relatively widespread in synchrotron laboratories. Two commercial miniature magnetrons with additional gas inlets allow for the deposition of compound films and multilayers. Substrate heating up to 950 deg. C and different substrate bias voltages are possible. An additional ion gun up to 6 keV and 10 {mu}A allows post-deposition ion irradiation with light atoms or energetic ion bombardment during sputter deposition. The performance of the chamber was tested with the deposition of MAX phase Ti2AlN and with the off-sputtering of a thin Pt film.
Lattice Dynamics of EuO: Evidence for Giant Spin-Phonon Coupling.
Pradip, R; Piekarz, P; Bosak, A; Merkel, D G; Waller, O; Seiler, A; Chumakov, A I; Rüffer, R; Oleś, A M; Parlinski, K; Krisch, M; Baumbach, T; Stankov, S
2016-05-01
Comprehensive studies of lattice dynamics in the ferromagnetic semiconductor EuO have been performed by a combination of inelastic x-ray scattering, nuclear inelastic scattering, and ab initio calculations. A remarkably large broadening of the transverse acoustic phonons was discovered at temperatures above and below the Curie temperature T_{C}=69 K. This result indicates a surprisingly strong momentum-dependent spin-phonon coupling induced by the spin dynamics in EuO. PMID:27203332
Origin of the Phonon Hall Effect in Rare-Earth Garnets
NASA Astrophysics Data System (ADS)
Mori, Michiyasu; Spencer-Smith, Alexander; Sushkov, Oleg P.; Maekawa, Sadamichi
2014-12-01
The phonon Hall effect has been observed in the paramagnetic insulator Tb3Gd5O12 . A magnetic field applied perpendicularly to a heat current induces a temperature gradient that is perpendicular to both the field and the current. We show that this effect is due to resonant skew scattering of phonons from the crystal field states of superstoichiometric Tb3 + ions. This scattering originates from the coupling between the quadrupole moment of Tb3 + ions and the lattice strain. The estimated magnitude of the effect is consistent with experimental observations at T ˜5 K and can be significantly enhanced by increasing temperature.
Incoherent neutron scattering in acetanilide and three deuterated derivatives
NASA Astrophysics Data System (ADS)
Barthes, Mariette; Almairac, Robert; Sauvajol, Jean-Louis; Moret, Jacques; Currat, Roland; Dianoux, José
1991-03-01
Incoherent-neutron-scattering measurements of the vibrational density of states of acetanilide and three deuterated derivatives are presented. These data allow one to identify an intense maximum, assigned to the N-H out-of-plane bending mode. The data display the specific behavior of the methyl torsional modes: large isotopic shift and strong low-temperature intensity; confirm our previous inelastic-neutron-scattering studies, indicating no obvious anomalies in the range of frequency of the acoustic phonons. In addition, the data show the existence of thermally activated quasielastic scattering above 100 K, assigned to the random diffusive motion of the methyl protons. These results are discussed in the light of recent theoretical models proposed to explain the anomalous optical properties of this crystal.
On the accuracy of classical and long wavelength approximations for phonon transport in graphene
NASA Astrophysics Data System (ADS)
Singh, Dhruv; Murthy, Jayathi Y.; Fisher, Timothy S.
2011-12-01
This paper presents a critical evaluation of the approximations usually made in thermal conductivity modeling applied to graphene. The baseline for comparison is thermal conductivity computations performed using a rigorous calculation of three-phonon scattering events and accounting for the anharmonicity of interatomic forces. Three central assumptions that underlie published theories are evaluated and shown to compromise the accuracy of thermal conductivity predictions. It is shown that the use of classical phonon occupation statistics in place of the Bose-Einstein distribution causes the overprediction of specific heat and the underprediction of phonon relaxation time; for ZA phonons, the classical approximation can underpredict the relaxation time by a factor of approximately 2 at room temperature across a broad frequency band. The validity of the long wavelength (Klemens) approximation in evaluating the strength of phonon scattering events is also examined, and the findings indicate that thermal conductivity is significantly underpredicted when long-wavelength approximations are made, with the most significant discrepancy occurring for ZA phonons. The neglect of Normal processes in thermal conductivity computations is evaluated and shown to produce a diverging thermal conductivity with increasing size.
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
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
Effects of temperature and pressure on phonons in FeSi1–xAlx
Delaire, O.; Al-Qasir, I. I.; Ma, J.; dos Santos, A. M.; Sales, B. C.; Mauger, L.; Stone, M. B.; Abernathy, D. L.; Xiao, Y.; Somayazulu, M.
2013-05-31
The effects of temperature and pressure on phonons in B20 compounds FeSi1–xAlx were measured using inelastic neutron scattering and nuclear-resonant inelastic x-ray scattering. The effect of hole doping through Al substitution is compared to results of alloying with Co (electron doping) in Fe₁₋xCoxSi. While the temperature dependence of phonons in FeSi is highly anomalous, doping with either type of carriers leads to a recovery of the normal quasiharmonic behavior. Density functional theory (DFT) computations of the electronic band structure and phonons were performed. The anomaly in the temperature dependence of the phonons in undoped FeSi was related to the narrowmore » band gap, and its sensitivity to the effect of thermal disordering by phonons. On the other hand, the pressure dependence of phonons at room temperature in undoped FeSi follows the quasiharmonic behavior and is well reproduced by the DFT calculations.« 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
NASA Astrophysics Data System (ADS)
Wang, Xiao-Peng; Jiang, Ping; Chen, Tian-Ning; Zhu, Jian
2015-10-01
In this paper, the tuning characteristics of band gaps and waveguides in a locally resonant phononic crystal structure, consisting of multiple square stubs deposited on a thin homogeneous plate, are investigated. Using the finite element method and supercell technique, the dispersion relationships and power transmission spectra of those structures are calculated. In contrast to a system of one square stub, systems of multiple square stubs show wide band gaps at lower frequencies and an increased quantity of band gaps at higher frequencies. The vibration modes of the band gap edges are analyzed to clarify the mechanism of the generation of the lowest band gap. Additionally, the influence of the stubs arrangement on the band gaps in multi-stub systems is investigated. The arrangements of the stubs were found to influence the band gaps; this is critical to understand for practical applications. Based on this finding, a novel method to form defect scatterers by changing the arrangement of square stubs in a multi-stub perfect phononic crystal plate was developed. Defect bands can be induced by creating defects inside the original complete band gaps. The frequency can then be tuned by changing the defect scatterers' stub arrangement. These results will help in fabricating devices such as acoustic filters and waveguides whose band frequency can be modulated.
Phonon dispersion relation in PbTiO3
NASA Astrophysics Data System (ADS)
Tomeno, Izumi; Fernandez-Baca, Jaime; Marty, Karol; Oka, Kunihiko; Tsunoda, Yorihiko
2013-03-01
The phonon dispersion relations for cubic PbTiO3 (Tc = 763 K) have been determined along the high symmetry directions at T = 793 K using inelastic neutron scattering. A set of the TO branches drops significantly toward the zone center. This is quite different from the soft mode anomaly in the Pb-based relaxors, named as the waterfall phenomenon. The zone-center TO mode energy softens with decreasing temperature from 1173 to 793 K. The TA branch along [ ξ , ξ , ξ ] shows significant softening around ξ = 0.25 and 0.5. These two anomalies persist up to 1173 K and are weakly temperature dependent. Moreover, the TA branches along [1,0,0] and [1,1,0] soften in the entire q range as the temperature approaches Tc. Although the phonon softening occurs simultaneously, the softening of the zone center TO mode plays an important role in the single phase transition. The phonon dispersion relations for cubic and tetragonal PbTiO3 are discussed in connection with BaTiO3, KTaO3, Pb(Zn1/3Nb2/3)O3, and Pb(Mg1/3Nb2/3)O3. U.S.-Japan cooperative program on neutron scattering
Nonadiabatic effects in the phonon dispersion of Mg1 -xAlxB2
NASA Astrophysics Data System (ADS)
d'Astuto, Matteo; Heid, Rolf; Renker, Burkhard; Weber, Frank; Schober, Helmut; De la Peña-Seaman, Omar; Karpinski, Janusz; Zhigadlo, Nikolai D.; Bossak, Alexei; Krisch, Michael
2016-05-01
Superconducting MgB2 shows an E2 g zone center phonon, as measured by Raman spectroscopy, that is very broad in energy and temperature dependent. The Raman shift and lifetime show large differences with the values elsewhere in the Brillouin zone measured by inelastic x-ray scattering (IXS), where its dispersion can be accounted for by standard harmonic phonon theory, adding only a moderate electron-phonon coupling. Here we show that the effects rapidly disappear when electron-phonon coupling is switched off by Al substitution on the Mg sites. Moreover, using IXS with very high wave-vector resolution in MgB2, we can follow the dispersion connecting the Raman and the IXS signal, in agreement with a theory using only electron-phonon coupling but without strong anharmonic terms. The observation is important in order to understand the effects of electron-phonon coupling on zone center phonon modes in MgB2, and also in all metals characterized by a small Fermi velocity in a particular direction, typical for layered compounds.
Ab initio phonon dispersion in crystalline naphthalene using van der Waals density functionals
NASA Astrophysics Data System (ADS)
Brown-Altvater, Florian; Rangel, Tonatiuh; Neaton, Jeffrey B.
2016-05-01
Acene molecular crystals are of current interest in organic optoelectronics, both as active materials and for exploring and understanding new phenomena. Phonon scattering can be an important facilitator and dissipation mechanism in charge separation and carrier transport processes. Here, we carry out density functional theory (DFT) calculations of the structure and the full phonon dispersion of crystalline naphthalene, a well-characterized acene crystal for which detailed neutron-diffraction measurements, as well as infrared and Raman spectroscopy, are available. We evaluate the performance, relative to experiments, of DFT within the local density approximation (LDA); the generalized gradient approximation of Perdew, Burke, and Ernzerhof (PBE); and a recent van der Waals-corrected nonlocal correlation (vdW-DF-cx) functional. We find that the vdW-DF-cx functional accurately predicts lattice parameters of naphthalene within 1%. Intermolecular and intramolecular phonon frequencies across the Brillouin zone are reproduced within 7.8% and 1%, respectively. As expected, LDA (PBE) underestimates (overestimates) the lattice parameters and overestimates (underestimates) phonon frequencies, demonstrating their shortcomings for predictive calculations of weakly bound materials. If the unit cell is fixed to the experimental lattice parameters, PBE is shown to lead to improved phonon frequencies. Our study provides a detailed understanding of the phonon spectrum of naphthalene, and highlights the importance of including van der Waals dispersion interactions in predictive calculations of lattice parameters and phonon frequencies of molecular crystals and related organic materials.
Evolution of molecular crystal optical phonons near structural phase transitions
NASA Astrophysics Data System (ADS)
Michki, Nigel; Niessen, Katherine; Xu, Mengyang; Markelz, Andrea
Molecular crystals are increasingly important photonic and electronic materials. For example organic semiconductors are lightweight compared to inorganic semiconductors and have inexpensive scale up processing with roll to roll printing. However their implementation is limited by their environmental sensitivity, in part arising from the weak intermolecular interactions of the crystal. These weak interactions result in optical phonons in the terahertz frequency range. We examine the evolution of intermolecular interactions near structural phase transitions by measuring the optical phonons as a function of temperature and crystal orientation using terahertz time-domain spectroscopy. The measured orientation dependence of the resonances provides an additional constraint for comparison of the observed spectra with the density functional calculations, enabling us to follow specific phonon modes. We observe crystal reorganization near 350 K for oxalic acid as it transforms from dihydrate to anhydrous form. We also report the first THz spectra for the molecular crystal fructose through its melting point.
Neutron and x-ray scattering studies of premartensitic phenomena
Shapiro, S.M.
1987-01-01
This paper discusses neutron and x-ray investigations of some metallic alloys which are known to exhibit martensitic transformations. It is shown that precursor effects are usually present in the diffuse scattering and in the phonon dispersion curves, but the transition cannot be described in terms of the soft mode picture used in the Landau and Devonshire theory to describe structural phase transitions. In addition, it is noted that it is inappropriate to look at these microstructures as incommensurate systems, but more correctly as a coherent coexistence of two phases.
Phonon coupling in optical transitions for singlet-triplet pairs of bound excitons in semiconductors
NASA Astrophysics Data System (ADS)
Pistol, M. E.; Monemar, B.
1986-05-01
A model is presented for the observed strong difference in selection rules for coupling of phonons in the one-phonon sideband of optical spectra related to bound excitons in semiconductors. The present treatment is specialized to the case of a closely spaced pair of singlet-triplet character as the lowest electronic states, as is common for bound excitons associated with neutral complexes in materials like GaP and Si. The optical transition for the singlet bound-exciton state is found to couple strongly only to symmetric A1 modes. The triplet state has a similar coupling strength to A1 modes, but in addition strong contributions are found for replicas corresponding to high-density-of-states phonons TAX, LAX, and TOX. This can be explained by a treatment of particle-phonon coupling beyond the ordinary adiabatic approximation. A weak mixing between the singlet and triplet states is mediated by the phonon coupling, as described in first-order perturbation theory. The model derived in this work, for such phonon-induced mixing of closely spaced electronic states, is shown to explain the observed phonon coupling for several bound-exciton systems of singlet-triplet character in GaP. In addition, the observed oscillator strength of the forbidden triplet state may be explained as partly derived from phonon-induced mixing with the singlet state, which has a much larger oscillator strength.
Damped soft phonons and diffuse scattering in 40%Pb(Mg{sub 1/3}Nb{sub 2/3})O{sub 3}-60%PbTiO{sub 3}
Stock, C.; Ellis, D.; Swainson, I. P.; Xu, Guangyong; Hiraka, H.; Shirane, G.; Zhong, Z.; Luo, H.; Zhao, X.; Viehland, D.; Birgeneau, R. J.
2006-02-01
Using neutron elastic and inelastic scattering and high-energy x-ray diffraction, we present a comparison of 40% Pb(Mg{sub 1/3}Nb{sub 2/3})O{sub 3}-60% PbTiO{sub 3} (PMN-60PT) with pure Pb(Mg{sub 1/3}Nb{sub 2/3})O{sub 3} (PMN) and PbTiO{sub 3} (PT). We measure the structural properties of PMN-60PT to be identical to pure PT, however, the lattice dynamics are exactly that previously found in relaxors PMN and Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3} (PZN). PMN-60PT displays a well-defined macroscopic structural transition from a cubic to tetragonal unit cell at 550 K. The diffuse scattering is shown to be weak indicating that the structural distortion is long-range in PMN-60PT and short-range polar correlations (polar nanoregions) are not present. Even though polar nanoregions are absent, the soft optic mode is short-lived for wave vectors near the zone center. Therefore PMN-60PT displays the same waterfall effect as prototypical relaxors PMN and PZN. We conclude that it is random fields resulting from the intrinsic chemical disorder which is the reason for the broad transverse optic mode observed in PMN and PMN-60PT near the zone center and not due to the formation of short-ranged polar correlations. Through our comparison of PMN, PMN-60PT, and pure PT, we interpret the dynamic and static properties of the PMN-xPT system in terms of a random field model in which the cubic anisotropy term dominates with increasing doping of PbTiO{sub 3}.
Effects of electron-phonon interaction in metals
NASA Astrophysics Data System (ADS)
Yang, Xiaodong
Phonons and electrons are two types of excitations which are responsible for many properties of condensed matter materials. The interaction between them plays an important role in condensed matter physics. In this thesis we present some theoretical investigations of the effects due to the interactions between phonons and electrons interactions. We show evidence that a structural martensitic transition is related to significant changes in the electronic structure, as revealed in thermodynamic measurements made in high magnetic fields. The effect of the magnetic field is considered unusual, as many influential investigations of martensitic transitions have emphasized that the structural transitions are primarily lattice dynamical and are driven by the entropy due to the phonons. We provide a theoretical frame-work which can be used to describe the effect of a magnetic field on the lattice dynamics in which the field dependence originates from the dielectric constant. The temperature-dependence of the phonon spectrum of alpha-uranium has recently been measured by Manley et al. using inelastic neutron scattering and x-ray scattering techniques. Although there is scant evidence of anharmonic interactions, the phonons were reported to show some softening of the optic modes at the zone boundary. The same group of authors later reported that an extra vibrational mode was observed to form at a temperature above 450 K. The existence of the proposed new mode is inconsistent with the usual theory of harmonic phonons, as applied to a structure composed of a monoclinic Bravais lattice with a two-atom basis. We investigate the effect that the f electron-phonon interaction has on the phonon spectrum and its role on the possible formation of a breathing mode of mixed electronic and phonon character. We examine the model by using Green's function techniques to obtain the phonon spectral density. Some materials undergo phase transitions from a high temperature state with periodic
Thermal conductivity due to phonons in the core of superfluid neutron stars
NASA Astrophysics Data System (ADS)
Manuel, Cristina; Sarkar, Sreemoyee; Tolos, Laura
2014-11-01
We compute the contribution of phonons to the thermal conductivity in the core of superfluid neutron stars. We use effective field theory techniques to extract the phonon scattering rates, written as a function of the equation of state of the system. We also calculate the phonon dispersion law beyond linear order, which depends on the gap of superfluid neutron matter. With all these ingredients, we solve the Boltzmann equation numerically using a variational approach. We find that the thermal conductivity κ is dominated by combined small- and large-angle binary collisions. As in the color-flavor-locked superfluid, we find that our result can be well approximated by κ ∝1 /Δ6 at low temperature, where Δ is the neutron gap, the constant of proportionality depending on the density. We further comment on the possible relevance of electron and superfluid phonon collisions in obtaining the total contribution to the thermal conductivity in the core of superfluid neutron stars.
Unraveling the interlayer-related phonon self-energy renormalization in bilayer graphene
Araujo, Paulo T.; Mafra, Daniela L.; Sato, Kentaro; Saito, Riichiro; Kong, Jing; Dresselhaus, Mildred S.
2012-01-01
In this letter, we present a step towards understanding the bilayer graphene (2LG) interlayer (IL)-related phonon combination modes and overtones as well as their phonon self-energy renormalizations by using both gate-modulated and laser-energy dependent inelastic scattering spectroscopy. We show that although the IL interactions are weak, their respective phonon renormalization response is significant. Particularly special, the IL interactions are mediated by Van der Waals forces and are fundamental for understanding low-energy phenomena such as transport and infrared optics. Our approach opens up a new route to understanding fundamental properties of IL interactions which can be extended to any graphene-like material, such as MoS2, WSe2, oxides and hydroxides. Furthermore, we report a previously elusive crossing between IL-related phonon combination modes in 2LG, which might have important technological applications. PMID:23264879
Giant phonon anomaly associated with superconducting fluctuations in the pseudogap phase of cuprates
Liu, Ye-Hua; Konik, Robert M.; Rice, T. M.; Zhang, Fu-Chun
2016-01-20
The pseudogap in underdoped cuprates leads to significant changes in the electronic structure, and was later found to be accompanied by anomalous fluctuations of superconductivity and certain lattice phonons. Here we propose that the Fermi surface breakup due to the pseudogap, leads to a breakup of the pairing order into two weakly coupled sub-band amplitudes, and a concomitant low energy Leggett mode due to phase fluctuations between them. This increases the temperature range of superconducting fluctuations containing an overdamped Leggett mode. In this range inter-sub-band phonons show strong damping due to resonant scattering into an intermediate state with a pairmore » of overdamped Leggett modes. In the ordered state, the Leggett mode develops a finite energy, changing the anomalous phonon damping into an anomaly in the dispersion. Finally, this proposal explains the intrinsic connection between the anomalous pseudogap phase, enhanced superconducting fluctuations and giant anomalies in the phonon spectra.« less
Heat Transport in Spin Chains with Weak Spin-Phonon Coupling.
Chernyshev, A L; Rozhkov, A V
2016-01-01
The heat transport in a system of S=1/2 large-J Heisenberg spin chains, describing closely Sr(2)CuO(3) and SrCuO(2) cuprates, is studied theoretically at T≪J by considering interactions of the bosonized spin excitations with optical phonons and defects. Treating rigorously the multiboson processes, we derive a microscopic spin-phonon scattering rate that adheres to an intuitive picture of phonons acting as thermally populated defects for the fast spin excitations. The mean-free path of the latter exhibits a distinctive T dependence reflecting a critical nature of spin chains and gives a close description of experiments. By the naturalness criterion of realistically small spin-phonon interaction, our approach stands out from previous considerations that require large coupling constants to explain the data and thus imply a spin-Peierls transition, absent in real materials. PMID:26799043
Giant phonon anomaly associated with superconducting fluctuations in the pseudogap phase of cuprates
Liu, Ye-Hua; Konik, Robert M.; Rice, T. M.; Zhang, Fu-Chun
2016-01-01
The pseudogap in underdoped cuprates leads to significant changes in the electronic structure, and was later found to be accompanied by anomalous fluctuations of superconductivity and certain lattice phonons. Here we propose that the Fermi surface breakup due to the pseudogap, leads to a breakup of the pairing order into two weakly coupled sub-band amplitudes, and a concomitant low energy Leggett mode due to phase fluctuations between them. This increases the temperature range of superconducting fluctuations containing an overdamped Leggett mode. In this range inter-sub-band phonons show strong damping due to resonant scattering into an intermediate state with a pair of overdamped Leggett modes. In the ordered state, the Leggett mode develops a finite energy, changing the anomalous phonon damping into an anomaly in the dispersion. This proposal explains the intrinsic connection between the anomalous pseudogap phase, enhanced superconducting fluctuations and giant anomalies in the phonon spectra. PMID:26785835
Lattice Waves, Spin Waves, and Neutron Scattering
DOE R&D Accomplishments Database
Brockhouse, Bertram N.
1962-03-01
Use of neutron inelastic scattering to study the forces between atoms in solids is treated. One-phonon processes and lattice vibrations are discussed, and experiments that verified the existence of the quantum of lattice vibrations, the phonon, are reviewed. Dispersion curves, phonon frequencies and absorption, and models for dispersion calculations are discussed. Experiments on the crystal dynamics of metals are examined. Dispersion curves are presented and analyzed; theory of lattice dynamics is considered; effects of Fermi surfaces on dispersion curves; electron-phonon interactions, electronic structure influence on lattice vibrations, and phonon lifetimes are explored. The dispersion relation of spin waves in crystals and experiments in which dispersion curves for spin waves in Co-Fe alloy and magnons in magnetite were obtained and the reality of the magnon was demonstrated are discussed. (D.C.W)
Lan, Tian; Li, Chen W.; Hellman, O.; Kim, D. S.; Muñoz, Jorge A.; Smith, Hillary; Abernathy, Douglas L.; Fultz, B.
2015-08-11
Although the rutile structure of TiO2 is stable at high temperatures, the conventional quasiharmonic approximation predicts that several acoustic phonons decrease anomalously to zero frequency with thermal expansion, incorrectly predicting a structural collapse at temperatures well below 1000 K. In this paper, inelastic neutron scattering was used to measure the temperature dependence of the phonon density of states (DOS) of rutile TiO2 from 300 to 1373 K. Surprisingly, these anomalous acoustic phonons were found to increase in frequency with temperature. First-principles calculations showed that with lattice expansion, the potentials for the anomalous acoustic phonons transform from quadratic to quartic, stabilizingmore » the rutile phase at high temperatures. In these modes, the vibrational displacements of adjacent Ti and O atoms cause variations in hybridization of 3d electrons of Ti and 2p electrons of O atoms. Finally, with thermal expansion, the energy variation in this “phonon-tracked hybridization” flattens the bottom of the interatomic potential well between Ti and O atoms, and induces a quarticity in the phonon potential.« less
NASA Astrophysics Data System (ADS)
Lan, Tian; Li, C. W.; Hellman, O.; Kim, D. S.; Muñoz, J. A.; Smith, H.; Abernathy, D. L.; Fultz, B.
2015-08-01
Although the rutile structure of TiO2 is stable at high temperatures, the conventional quasiharmonic approximation predicts that several acoustic phonons decrease anomalously to zero frequency with thermal expansion, incorrectly predicting a structural collapse at temperatures well below 1000 K. Inelastic neutron scattering was used to measure the temperature dependence of the phonon density of states (DOS) of rutile TiO2 from 300 to 1373 K. Surprisingly, these anomalous acoustic phonons were found to increase in frequency with temperature. First-principles calculations showed that with lattice expansion, the potentials for the anomalous acoustic phonons transform from quadratic to quartic, stabilizing the rutile phase at high temperatures. In these modes, the vibrational displacements of adjacent Ti and O atoms cause variations in hybridization of 3 d electrons of Ti and 2 p electrons of O atoms. With thermal expansion, the energy variation in this "phonon-tracked hybridization" flattens the bottom of the interatomic potential well between Ti and O atoms, and induces a quarticity in the phonon potential.
Dean M. P.; Howard, C.A.; Withers, F.
2011-12-19
Graphene phonons are measured as a function of electron doping via the addition of potassium adatoms. In the low doping regime, the in-plane carbon G peak hardens and narrows with increasing doping, analogous to the trend seen in graphene doped via the field effect. At high dopings, beyond those accessible by the field effect, the G peak strongly softens and broadens. This is interpreted as a dynamic, nonadiabatic renormalization of the phonon self-energy. At dopings between the light and heavily doped regimes, we find a robust inhomogeneous phase where the potassium coverage is segregated into regions of high and low density. The phonon energies, linewidths, and tunability are notably very similar for one- to four-layer potassium-doped graphene, but significantly different to bulk potassium-doped graphite.
Phonon-drag thermopower in 3D Dirac semimetals.
Kubakaddi, S S
2015-11-18
A theory of low-temperature phonon-drag thermopower S(g) in three-dimensional (3D) Dirac semimetals has been developed considering screened electron-phonon deformation potential coupling. Numerical investigations of S(g), in the boundary scattering regime for phonons, are made in 3D Dirac semimetal Cd3As2, as a function of temperature T and electron concentration n e. S(g) is found to increase rapidly for about T < 1 K and nearly levels off for higher T. It is also seen that S(g) increases (decreases) with decreasing n e at lower (higher) T (<2 K). A screening effect is found to be very significant, strongly affecting T and n e dependence for about <1 K and becoming negligible at higher temperature. In the Bloch-Gruneisen (BG) regime the power laws S(g) ~ T(8) (T(4)) and S(g) ~ n(e)(-5/3)(n(e)(-1/3) with (without) screening are obtained. These laws with respect to T and n e are, respectively, characteristics of 3D phonons and Dirac 3D electrons. Comparison with diffusion thermopower S(d) shows that S (g) dominates (and is much greater than) S(d) for about T > 0.2 K. Herring's law S(g) μ p ~ T (-1), relating phonon limited mobility μ p and S(g) in the BG regime, is shown to be valid in 3D Dirac semimetals. The results obtained here are compared with those in 3D semiconductors, low-dimensional semiconductor heterojunctions and graphene. We conclude that n e-dependent measurements, rather than T-dependent ones, provide a clearer signature of the 3D Dirac semimetal phase. PMID:26490643
Phonon-drag thermopower in 3D Dirac semimetals
NASA Astrophysics Data System (ADS)
Kubakaddi, S. S.
2015-11-01
A theory of low-temperature phonon-drag thermopower S g in three-dimensional (3D) Dirac semimetals has been developed considering screened electron-phonon deformation potential coupling. Numerical investigations of S g, in the boundary scattering regime for phonons, are made in 3D Dirac semimetal Cd3As2, as a function of temperature T and electron concentration n e. S g is found to increase rapidly for about T < 1 K and nearly levels off for higher T. It is also seen that S g increases (decreases) with decreasing n e at lower (higher) T (<2 K). A screening effect is found to be very significant, strongly affecting T and n e dependence for about <1 K and becoming negligible at higher temperature. In the Bloch-Gruneisen (BG) regime the power laws S g ~ T 8 (T 4) and S g ~ n\\text{e}-5/3 (n\\text{e}-1/3) with (without) screening are obtained. These laws with respect to T and n e are, respectively, characteristics of 3D phonons and Dirac 3D electrons. Comparison with diffusion thermopower S d shows that S g dominates (and is much greater than) S d for about T > 0.2 K. Herring’s law S g μ p ~ T -1, relating phonon limited mobility μ p and S g in the BG regime, is shown to be valid in 3D Dirac semimetals. The results obtained here are compared with those in 3D semiconductors, low-dimensional semiconductor heterojunctions and graphene. We conclude that n e-dependent measurements, rather than T-dependent ones, provide a clearer signature of the 3D Dirac semimetal phase.
Sound and heat revolutions in phononics.
Maldovan, Martin
2013-11-14
The phonon is the physical particle representing mechanical vibration and is responsible for the transmission of everyday sound and heat. Understanding and controlling the phononic properties of materials provides opportunities to thermally insulate buildings, reduce environmental noise, transform waste heat into electricity and develop earthquake protection. Here I review recent progress and the development of new ideas and devices that make use of phononic properties to control both sound and heat. Advances in sonic and thermal diodes, optomechanical crystals, acoustic and thermal cloaking, hypersonic phononic crystals, thermoelectrics, and thermocrystals herald the next technological revolution in phononics. PMID:24226887
Sound and heat revolutions in phononics
NASA Astrophysics Data System (ADS)
Maldovan, Martin
2013-11-01
The phonon is the physical particle representing mechanical vibration and is responsible for the transmission of everyday sound and heat. Understanding and controlling the phononic properties of materials provides opportunities to thermally insulate buildings, reduce environmental noise, transform waste heat into electricity and develop earthquake protection. Here I review recent progress and the development of new ideas and devices that make use of phononic properties to control both sound and heat. Advances in sonic and thermal diodes, optomechanical crystals, acoustic and thermal cloaking, hypersonic phononic crystals, thermoelectrics, and thermocrystals herald the next technological revolution in phononics.
Phonon engineering in carbon nanotubes by controlling defect concentration.
Sevik, Cem; Sevinçli, Hâldun; Cuniberti, Gianaurelio; Cağın, Tahir
2011-11-01
Outstanding thermal transport properties of carbon nanotubes (CNTs) qualify them as possible candidates to be used as thermal management units in electronic devices. However, significant variations in the thermal conductivity (κ) measurements of individual CNTs restrict their utilizations for this purpose. In order to address the possible sources of this large deviation and to propose a route to solve this discrepancy, we systematically investigate the effects of varying concentrations of randomly distributed multiple defects (single and double vacancies, Stone-Wales defects) on the phonon transport properties of armchair and zigzag CNTs with lengths ranging between a few hundred nanometers to several micrometers, using both nonequilibrium molecular dynamics and atomistic Green's function methods. Our results show that, for both armchair and zigzag CNTs, κ converges nearly to the same values with different types of defects, at all lengths considered in this study. On the basis of the detailed mean free path analysis, this behavior is explained with the fact that intermediate and high frequency phonons are filtered out by defect scattering, while low frequency phonons are transmitted quasi-ballistically even for several micrometer long CNTs. Furthermore, an analysis of variances in κ for different defect concentrations indicates that defect scattering at low defect concentrations could be the source of large experimental variances, and by taking advantage of the possibility to create a controlled concentration of defects by electron or ion irradiation, it is possible to standardize κ with minimizing the variance. Our results imply the possibility of phonon engineering in nanostructured graphene based materials by controlling the defect concentration. PMID:21967464
Phonon heat conduction in nano and microporous thin films
NASA Astrophysics Data System (ADS)
Song, David Won-Jun
In this dissertation, the phonon size effect in the experimental and theoretical studies of random and periodic porous media are reported. First, a literature review on the past modeling studies on porous media are presented that covers both the earlier works that use the traditional effective medium approach and the few existing recent works that consider the low-dimensional effects. Next, the experimental characterization of the cross-plane thermal conductivity of randomly nano-porous bismuth thin films is presented. Fabricated in search for more efficient thermoelectric materials, the nanoporous bismuth films use nano-scale pores to impede phonon transport more than electron transport. Their cross-plane thermal conductivity characterization using the differential 3o technique revealed an order-of-magnitude reduction in the thermal conductivity values of the porous bismuth over those of non-porous bismuth films and a potential for the independent tuning of their electrical conductivity and thermal conductivity, but the defect-laden structure was difficult to model. Therefore, a new study was undertaken that focused on simpler periodic micro-porous single-crystal silicon membranes. A batch of such membranes were fabricated from both a plain silicon wafer and a silicon-on-insulator wafer using MEMS techniques, including bulk chemical etching and deep-reactive ion etching. The resulting samples contained periodically arranged pores of controlled dimension and orientation, but the pore dimension and orientation was varied from sample to sample to experimentally isolate the phonon size effect due to pore boundary scattering. The in-plane thermal conductivity of the microporous silicon membranes is characterized by a modified version of Volklein's DC method. The resulting thermal conductivity reduction in porous films compared to the solid silicon film strongly suggest phonon size effect. The three-dimensional phonon transport in porous silicon membranes were modeled
Nanoscale control of phonon excitations in graphene
Kim, Hyo Won; Ko, Wonhee; Ku, JiYeon; Jeon, Insu; Kim, Donggyu; Kwon, Hyeokshin; Oh, Youngtek; Ryu, Seunghwa; Kuk, Young; Hwang, Sung Woo; Suh, Hwansoo
2015-01-01
Phonons, which are collective excitations in a lattice of atoms or molecules, play a major role in determining various physical properties of condensed matter, such as thermal and electrical conductivities. In particular, phonons in graphene interact strongly with electrons; however, unlike in usual metals, these interactions between phonons and massless Dirac fermions appear to mirror the rather complicated physics of those between light and relativistic electrons. Therefore, a fundamental understanding of the underlying physics through systematic studies of phonon interactions and excitations in graphene is crucial for realising graphene-based devices. In this study, we demonstrate that the local phonon properties of graphene can be controlled at the nanoscale by tuning the interaction strength between graphene and an underlying Pt substrate. Using scanning probe methods, we determine that the reduced interaction due to embedded Ar atoms facilitates electron–phonon excitations, further influencing phonon-assisted inelastic electron tunnelling. PMID:26109454
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.
Zhernenkov, Mikhail; Bolmatov, Dima; Soloviov, Dmitry; Zhernenkov, Kirill; Toperverg, Boris P.; Cunsolo, Alessandro; Bosak, Alexey; Cai, Yong Q.
2016-01-01
The passive transport of molecules through a cell membrane relies on thermal motions of the lipids. However, the nature of transmembrane transport and the precise mechanism remain elusive and call for a comprehensive study of phonon excitations. Here we report a high resolution inelastic X-ray scattering study of the in-plane phonon excitations in 1,2-dipalmitoyl-sn-glycero-3-phosphocholine above and below the main transition temperature. In the gel phase, for the first time, we observe low-frequency transverse modes, which exhibit a phonon gap when the lipid transitions into the fluid phase. We argue that the phonon gap signifies the formation of short-lived nanometre-scale lipid clusters and transient pores, which facilitate the passive molecular transport across the bilayer plane. Our findings suggest that the phononic motion of the hydrocarbon tails provides an effective mechanism of passive transport, and illustrate the importance of the collective dynamics of biomembranes. PMID:27175859
NASA Astrophysics Data System (ADS)
Zhernenkov, Mikhail; Bolmatov, Dima; Soloviov, Dmitry; Zhernenkov, Kirill; Toperverg, Boris P.; Cunsolo, Alessandro; Bosak, Alexey; Cai, Yong Q.
2016-05-01
The passive transport of molecules through a cell membrane relies on thermal motions of the lipids. However, the nature of transmembrane transport and the precise mechanism remain elusive and call for a comprehensive study of phonon excitations. Here we report a high resolution inelastic X-ray scattering study of the in-plane phonon excitations in 1,2-dipalmitoyl-sn-glycero-3-phosphocholine above and below the main transition temperature. In the gel phase, for the first time, we observe low-frequency transverse modes, which exhibit a phonon gap when the lipid transitions into the fluid phase. We argue that the phonon gap signifies the formation of short-lived nanometre-scale lipid clusters and transient pores, which facilitate the passive molecular transport across the bilayer plane. Our findings suggest that the phononic motion of the hydrocarbon tails provides an effective mechanism of passive transport, and illustrate the importance of the collective dynamics of biomembranes.
Zhernenkov, Mikhail; Bolmatov, Dima; Soloviov, Dmitry; Zhernenkov, Kirill; Toperverg, Boris P; Cunsolo, Alessandro; Bosak, Alexey; Cai, Yong Q
2016-01-01
The passive transport of molecules through a cell membrane relies on thermal motions of the lipids. However, the nature of transmembrane transport and the precise mechanism remain elusive and call for a comprehensive study of phonon excitations. Here we report a high resolution inelastic X-ray scattering study of the in-plane phonon excitations in 1,2-dipalmitoyl-sn-glycero-3-phosphocholine above and below the main transition temperature. In the gel phase, for the first time, we observe low-frequency transverse modes, which exhibit a phonon gap when the lipid transitions into the fluid phase. We argue that the phonon gap signifies the formation of short-lived nanometre-scale lipid clusters and transient pores, which facilitate the passive molecular transport across the bilayer plane. Our findings suggest that the phononic motion of the hydrocarbon tails provides an effective mechanism of passive transport, and illustrate the importance of the collective dynamics of biomembranes. PMID:27175859
NASA Astrophysics Data System (ADS)
Peng, Y. Y.; Hashimoto, M.; Sala, M. Moretti; Amorese, A.; Brookes, N. B.; Dellea, G.; Lee, W.-S.; Minola, M.; Schmitt, T.; Yoshida, Y.; Zhou, K.-J.; Eisaki, H.; Devereaux, T. P.; Shen, Z.-X.; Braicovich, L.; Ghiringhelli, G.
2015-08-01
Magnetic excitations in the optimally doped high-Tc superconductor Bi1.5Pb0.55Sr1.6La0.4CuO6 +δ (OP-Bi2201, Tc≃34 K) are investigated by Cu L3 edge resonant inelastic x-ray scattering (RIXS), below and above the pseudogap opening temperature. At both temperatures the broad spectral distribution disperses along the (1,0) direction up to ˜350 meV at zone boundary, similar to other hole-doped cuprates. However, above ˜0.22 reciprocal lattice units, we observe a concurrent intensity decrease for magnetic excitations and quasielastic signals with weak temperature dependence. This anomaly seems to indicate a coupling between magnetic, lattice, and charge modes in this compound. We also compare the magnetic excitation spectra near the antinodal zone boundary in the single layer OP-Bi2201 and in the bilayer optimally doped Bi1.5Pb0.6Sr1.54CaCu2O8 +δ (OP-Bi2212, Tc≃96 K). The strong similarities in the paramagnon dispersion and in their energy at zone boundary indicate that the strength of the superexchange interaction and the short-range magnetic correlation cannot be directly related to Tc, not even within the same family of cuprates.
Spherical Harmonic Expansion Method for Coupled Electron-Phonon Boltzmann Transport
NASA Astrophysics Data System (ADS)
Santia, Marco; Albrecht, John
2014-03-01
Thermoelectric transport modeling often relies on independent Boltzmann transport equations (BTEs) for electrons and phonons which work best near equilibrium (linearized) and steady-state. Device design relies heavily on this baseline approximation. Monte Carlo methods can allow for complex physical interactions (e.g., anharmonicity) but their stochastic nature has practical limits. Distribution functions with wide disparities in population (e.g., ratios >108 between majority and minority carriers.[1]) are a computational challenge. We present a coupled BTE solver based on a k-space spherical harmonic expansion (SHE) of the distribution functions and eigenstates of electrons and phonons. The method is deterministic and allows for detailed treatments of scattering processes, yet ameliorates the issues with population disparity within phase space. We set the formalism and examine the accuracy of the SHE for phonon band structures, calculate scattering rates determined within that representation, and compare our preliminary results for distribution statistics in control examples such as thermal conductivity and drift velocity.
Zhou, X.J.
2010-04-30
thought possible only a decade ago. This revolution of the ARPES technique and its scientific impact result from dramatic advances in four essential components: instrumental resolution and efficiency, sample manipulation, high quality samples and well-matched scientific issues. The purpose of this treatise is to go through the prominent results obtained from ARPES on cuprate superconductors. Because there have been a number of recent reviews on the electronic structures of high-T{sub c} materials, we will mainly present the latest results not covered previously, with a special attention given on the electron-phonon interaction in cuprate superconductors. What has emerged is rich information about the anomalous electron-phonon interaction well beyond the traditional views of the subject. It exhibits strong doping, momentum and phonon symmetry dependence, and shows complex interplay with the strong electron-electron interaction in these materials. ARPES experiments have been instrumental in identifying the electronic structure, observing and detailing the electron-phonon mode coupling behavior, and mapping the doping evolution of the high-T{sub c} cuprates. The spectra evolve from the strongly coupled, polaronic spectra seen in underdoped cuprates to the Migdal-Eliashberg like spectra seen in the optimally and overdoped cuprates. In addition to the marked doping dependence, the cuprates exhibit pronounced anisotropy with direction in the Brillouin zone: sharp quasiparticles along the nodal direction that broaden significantly in the anti-nodal region of the underdoped cuprates, an anisotropic electron-phonon coupling vertex for particular modes identified in the optimal and overdoped compounds, and preferential scattering across the two parallel pieces of Fermi surface in the antinodal region for all doping levels. This also contributes to the pseudogap effect. To the extent that the Migdal-Eliashberg picture applies, the spectra of the cuprates bear resemblance to that
Quantum transport and dynamics of phonons in mesoscopic systems
NASA Astrophysics Data System (ADS)
Santamore, Deborah Hannah
Recent advances in nanotechnology have shrunk the size of rnesoscopic structures. This allows us to investigate the quantum mechanics of mechanical oscillators. In this thesis we focus on two aspects. In Part I, an individual discrete mode structure of an oscillator and its effect to thermal conductance have been thoroughly examined: Specifically, we investigated the reduction in the thermal conductance in the quantum limit due to phonon scattering by surface roughness, first using scalar waves, then using full three dimensional elasticity theory for an elastic beam with a rectangular cross section. At low frequencies, we find power laws for the scattering coefficients that are strongly mode dependent, and different from the results deriving from Rayleigh scattering of scalar waves, that is often assumed. The scattering gives temperature dependent contributions to the reduction in thermal conductance with the same power laws. At higher frequencies, the scattering coefficient becomes large at the onset frequency of each mode due to the flat dispersion. We use our results to attempt a quantitative understanding of the suppression of the thermal conductance from the universal value observed in experiment. As individual phonon energy becomes comparable to or greater than the thermal energy, the individual phonon dynamics within each mode can be resolved. In Part II, we examine a possibility of detecting individual quanta of a system: We investigate a scheme that makes a quantum non-demolition measurement of the excitation level of a mesoscopic mechanical oscillator by utilizing the anharmonic coupling between two bending modes of an elastic beam. The non-linear coupling between the two modes shifts the resonant frequency of the readout oscillator proportionate to the excitation of the system oscillator. This frequency shift may be detected as a phase shift of the readout oscillation when driven on resonance. We show that in an appropriate regime this measurement
Confinement effects on Brillouin scattering in semiconductor nanowire photonic crystal
NASA Astrophysics Data System (ADS)
Mante, Pierre-Adrien; Anttu, Nicklas; Zhang, Wei; Wallentin, Jesper; Chen, I.-Ju; Lehmann, Sebastian; Heurlin, Magnus; Borgström, Magnus T.; Pistol, Mats-Erik; Yartsev, Arkady
2016-07-01
Scattering of photons by phonons, or Brillouin scattering, enables manipulation and control of light and has led to revolutionary applications, from slow light to saser and cooling of micromechanical resonators. Recently, enhanced light and sound interaction has been demonstrated in waveguides. However, the design of the waveguide geometry tunes and alters the phonon and photon dispersion simultaneously. Here we investigate, through femtosecond pump-probe spectroscopy and theoretical modeling, the light and sound interaction in a bottom-up fabricated vertical nanowire photonic crystal. In such a system, the phonon dispersion can be tuned by varying the geometry of the constituent nanowires. In contrast, the placement of the nanowires in the photonic crystal can be used for tuning optical array modes, without altering the phonon dispersion. We demonstrate the forward and backward scattering, by acoustic phonons in the nanowires, of (1) such optical array modes and (2) guided modes of the constituent nanowires. Furthermore, our results reveal an enhanced interaction of array modes with phonons that we attribute to the specific scattering mechanism. Our results enable the design of a photonic crystal with separately tailored photon and phonon dispersion for Brillouin scattering. We anticipate these advances to be a starting point for enhanced control of light at the nanoscale.
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.
NASA Astrophysics Data System (ADS)
Adu, Kofi Wi
either introduce strain or suppress strain depending on the dry oxidation route; in situ suppresses strain where as ex situ induces strain and (b) the asymmetric lineshape in the phonon mode is affected by the strain and the thickness of the oxide layer. Finally, we have used photoluminescence to demonstrate that twinning superlattice of GaAs nanowires of classical size d ≥ 30nm can exhibit quantum confinement effects e.g., a red shift in the band gap (as predicted by theoretical investigations). In addition, Raman scattering spectrum from the GaAs twinning superlattice reveals a new strongly enhanced peak at 515 cm-1 that is not observed in the bulk. We attribute this peak to an undetermined twinning.
NASA Astrophysics Data System (ADS)
Huang, Danhong; Gumbs, Godfrey
2010-05-01
When impurity and phonon scattering coexist, the Boltzmann equation has been solved accurately for nonlinear electron transport in a quantum wire. Based on the calculated nonequilibrium distribution of electrons in momentum space, the scattering effects on both the nondifferential (for a fixed dc field) and differential (for a fixed temperature) mobilities of electrons as functions of temperature and dc field have been demonstrated. The nondifferential mobility of electrons is switched from a linearly increasing function of temperature to a paraboliclike temperature dependence as the quantum wire is tuned from an impurity-dominated system to a phonon-dominated one, as described by Fang et al. [Phys. Rev. B 78, 205403 (2008)]. In addition, a maximum has been obtained in the dc field dependence of the differential mobility of electrons. The low-field differential mobility is dominated by the impurity scattering, whereas the high-field differential mobility is limited by the phonon scattering as described by Hauser et al. [Semicond. Sci. Technol. 9, 951 (1994)]. Once a quantum wire is dominated by quasielastic scattering, the peak of the momentum-space distribution function becomes sharpened and both tails of the equilibrium electron distribution centered at the Fermi edges are raised by the dc field after a redistribution of the electrons is fulfilled in a symmetric way in the low-field regime. If a quantum wire is dominated by inelastic scattering, on the other hand, the peak of the momentum-space distribution function is unchanged while both shoulders centered at the Fermi edges shift leftward correspondingly with increasing dc field through an asymmetric redistribution of the electrons even in low-field regime as described by Wirner et al. [Phys. Rev. Lett. 70, 2609 (1993)].
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
Oliva, R.; Ibanez, J.; Cusco, R.; Artus, L.; Kudrawiec, R.; Serafinczuk, J.; Henini, M.; Boney, C.; Bensaoula, A.
2012-03-15
We use Raman scattering to investigate the composition behavior of the E{sub 2h} and A{sub 1}(LO) phonons of In{sub x}Ga{sub 1-x}N and to evaluate the role of lateral compositional fluctuations and in-depth strain/composition gradients on the frequency of the A{sub 1}(LO) bands. For this purpose, we have performed visible and ultraviolet Raman measurements on a set of high-quality epilayers grown by molecular beam epitaxy with In contents over a wide composition range (0.25 < x < 0.75). While the as-measured A{sub 1}(LO) frequency values strongly deviate from the linear dispersion predicted by the modified random-element isodisplacement (MREI) model, we show that the strain-corrected A{sub 1}(LO) frequencies are qualitatively in good agreement with the expected linear dependence. In contrast, we find that the strain-corrected E{sub 2h} frequencies exhibit a bowing in relation to the linear behavior predicted by the MREI model. Such bowing should be taken into account to evaluate the composition or the strain state of InGaN material from the E{sub 2h} peak frequencies. We show that in-depth strain/composition gradients and selective resonance excitation effects have a strong impact on the frequency of the A{sub 1}(LO) mode, making very difficult the use of this mode to evaluate the strain state or the composition of InGaN material.
Phonon heat transport in superlattices: Case of Si/SiGe and SiGe/SiGe superlattices
NASA Astrophysics Data System (ADS)
Hijazi, M.; Kazan, M.
2016-06-01
We present a predictive Boltzmann model for the cross-plane thermal conductivity in superlattices. The developed model considers particle-like phonons exhibiting wave characteristics at the interfaces and makes the assumption that the phonon heat transport in a superlattice has a mixed character. Exact Boltzmann equation comprising spatial dependence of phonon distribution function is solved to yield a general expression for the lattice thermal conductivity. The intrinsic phonon scattering rates are calculated from Fermi's golden rule, and the model vibrational parameters are derived as functions of temperature and crystallographic directions by using elasticity theory-based lattice dynamics approach. The developed theory is then adapted to calculate the cross-plane thermal conductivity of superlattices. It is assumed that the phonons of wavelengths comparable or smaller than the superlattice period or the root mean square irregularity at the superlattice interfaces may be subject to a resistive scattering mechanism at the interfaces, whereas the phonons of wavelengths much greater than the superlattice period undergo ballistic transmission through the interfaces and obey dispersion relations determined by the Brillouin zone folding effects of the superlattice. The accuracy of the concept of mixed phonon transport regime in superlattices is demonstrated clearly with reference to experimental measurements regarding the effects of period thickness and temperature on the cross-plane thermal conductivity of Si/Si0.7Ge0.3 and Si0.84Ge0.16/Si0.76Ge0.3 superlattices.
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)
Zeppenfeld, P.; Büchel, M.; David, R.; Comsa, G.; Ramseyer, C.; Girardet, C.
1994-11-01
The phonon-dispersion curves for a xenon monolayer adsorbed on Cu(110) have been measured using inelastic He scattering. The size and geometry of the substrate unit cell introduces an anisotropic distortion of the xenon monolayer, which is reflected in a strong deformation of the phonon-dispersion curves with respect to the floating two-dimensional (2D) xenon layer. This effect is reproduced in a 2D phonon calculation, based on the Lennard-Jones Xe pair potential. In this way a microscopic relationship between lattice strain, force constants, and surface stress can be established.
Raman study of phonon dynamics in PMN crystal
NASA Astrophysics Data System (ADS)
Svitelskiy, O.; Toulouse, J.; Ye, Z.-G.
2002-03-01
PMN is a model system for lead relaxors.Despite much effort,the origin of the relaxor behavior remains a puzzle.Difficulties arise from the coexistence of several phases at the same temperature.We have carried out a new detailed Raman study of PMN in a wide temperature range of 100-1000K.The entire acquired spectra have been analyzed using multiple peak decomposition.A comparison with neutron scattering data[1] suggests that strong Raman line at 45 cm_-1 is dominated by scattering from a distribution of TA phonons near the zone boundary.The fine structure of the line can be explained by interaction with TO1 and LA phonons.Lowering the temperature leads to the gradual appearance of the rhombohedral phase and to the growth and splitting of lines associated with it (as in KTN[2]): TO2,TO3,TO4.None of the lines exhibit a characteristic ferroelectric behavior.No Raman analogue of the neutron scattering waterfall[3] have been observed Thanks for support to DOE#DE-FG02-00ER45842 1.A.Naberezhnov et al,Eur.Phys.J.B11,13(1999) 3.P.DiAntonio et al,Phys.Rev.B,47,5629(1993) 2.P.Gehring et al.,accepted to PRL
Ultrasonic and hypersonic phononic crystals
NASA Astrophysics Data System (ADS)
Khelif, A.; Hsiao, F.-L.; Benchabane, S.; Choujaa, A.; Aoubiza, B.; Laude, V.
2008-02-01
We report on the experimental and theoretical investigation two kinds of acoustic waves in two dimensional phononic crystal: bulk acoustic waves and surface acoustic waves. For bulk acoustic waves, the work focuses on the experimental observation of full acoustic band gaps in a two-dimensional lattice of steel cylinders immersed in water as well as deaf bands that cause strong attenuation in the transmission for honeycomb and triangular lattices. For surface acoustic waves, complete acoustic band gaps found experimentally in a two-dimensional square-lattice piezoelectric phononic crystal etched in lithium niobate will be presented. Propagation in the phononic crystal is studied by direct generation and detection of surface waves using interdigital transducers. The complete band gap extends from 203 to 226 MHz, in good agreement with theoretical predictions. Near the upper edge of the complete band gap, it is observed that radiation to the bulk of the substrate dominates. This observation is explained by introducing the concept of sound line.
Wang, Mingchao; Lin, Shangchao
2015-01-01
The elastic modulus of carbyne, a one-dimensional carbon chain, was recently predicted to be much higher than graphene. Inspired by this discovery and the fundamental correlation between elastic modulus and thermal conductivity, we investigate the intrinsic thermal transport in two carbon allotropes: carbyne and cumulene. Using molecular dynamics simulations, we discover that thermal conductivities of carbyne and cumulene at the quantum-corrected room temperature can exceed 54 and 148 kW/m/K, respectively, much higher than that for graphene. Such conductivity is attributed to high phonon energies and group velocities, as well as reduced scattering from non-overlapped acoustic and optical phonon modes. The prolonged spectral acoustic phonon lifetime of 30–110 ps and mean free path of 0.5–2.5 μm exceed those for graphene, and allow ballistic phonon transport along micron-length carbon chains. Tensile extensions can enhance the thermal conductivity of carbyne due to the increased phonon density of states in the acoustic modes and the increased phonon lifetime from phonon bandgap opening. These findings provide fundamental insights into phonon transport and band structure engineering through tensile deformation in low-dimensional materials, and will inspire studies on carbyne, cumulene, and boron nitride chains for their practical deployments in nano-devices. PMID:26658143
NASA Astrophysics Data System (ADS)
Wang, Mingchao; Lin, Shangchao
2015-12-01
The elastic modulus of carbyne, a one-dimensional carbon chain, was recently predicted to be much higher than graphene. Inspired by this discovery and the fundamental correlation between elastic modulus and thermal conductivity, we investigate the intrinsic thermal transport in two carbon allotropes: carbyne and cumulene. Using molecular dynamics simulations, we discover that thermal conductivities of carbyne and cumulene at the quantum-corrected room temperature can exceed 54 and 148 kW/m/K, respectively, much higher than that for graphene. Such conductivity is attributed to high phonon energies and group velocities, as well as reduced scattering from non-overlapped acoustic and optical phonon modes. The prolonged spectral acoustic phonon lifetime of 30-110 ps and mean free path of 0.5-2.5 μm exceed those for graphene, and allow ballistic phonon transport along micron-length carbon chains. Tensile extensions can enhance the thermal conductivity of carbyne due to the increased phonon density of states in the acoustic modes and the increased phonon lifetime from phonon bandgap opening. These findings provide fundamental insights into phonon transport and band structure engineering through tensile deformation in low-dimensional materials, and will inspire studies on carbyne, cumulene, and boron nitride chains for their practical deployments in nano-devices.
Raman scattering investigation of large positive magnetoresistance material WTe2
NASA Astrophysics Data System (ADS)
Kong, W.-D.; Wu, S.-F.; Richard, P.; Lian, C.-S.; Wang, J.-T.; Yang, C.-L.; Shi, Y.-G.; Ding, H.
2015-02-01
We have performed polarized Raman scattering measurements on WTe2, for which an extremely large positive magnetoresistance has been reported recently. We observe 5 A1 phonon modes and 2 A2 phonon modes out of 33 Raman active modes, with frequencies in good accordance with first-principles calculations. The angular dependence of the intensity of the peaks observed is consistent with the Raman tensors of the C2v point group symmetry attributed to WTe2. Although the phonon spectra suggest neither strong electron-phonon nor spin-phonon coupling, the intensity of the A1 phonon mode at 160.6 cm-1 shows an unconventional decrease with temperature decreasing, for which the origin remains unclear.
Imaging Nonequilibrium Atomic Vibrations with X-ray Diffuse Scattering
Trigo, M.; Chen, J.; Vishwanath, V.H.; Sheu, Y.M.; Graber, T.; Henning, R.; Reis, D; /SLAC /Stanford U., Appl. Phys. Dept.
2011-03-03
We use picosecond x-ray diffuse scattering to image the nonequilibrium vibrations of the lattice following ultrafast laser excitation. We present images of nonequilibrium phonons in InP and InSb throughout the Brillouin-zone which remain out of equilibrium up to nanoseconds. The results are analyzed using a Born model that helps identify the phonon branches contributing to the observed features in the time-resolved diffuse scattering. In InP this analysis shows a delayed increase in the transverse acoustic (TA) phonon population along high-symmetry directions accompanied by a decrease in the longitudinal acoustic (LA) phonons. In InSb the increase in TA phonon population is less directional.