Interlayer vacancy effects on the phonon modes in AB stacked bilayer graphene nanoribbon

We explore the effects of interlayer vacancy defects on the vibrational properties of Bernal (AB) stacking bilayer armchair graphene nanoribbons (BiAGNRs) using the forced vibrational method. It is observed that the Raman active longitudinal optical (LO) phonon of BiAGNR is shifted downward with the decrease of the ribbon width and an increase of the vacancy concentrations. We find that vacancies induce some new peaks in the low frequency regime of the phonon density of states. Our calculated typical mode patterns elucidate that the localized transverse optical phonon at the K-point is shifted towards the defect sites from the edges with increased vacancy concentrations. In addition, the impact of defect induced phonon modes on the specific heat capacity and thermal conductivity of BiAGNRs are discussed. These results present a new way of understanding the heat dissipation phenomena of graphene-based high-performance nanodevices and to clarify the Raman and the experiments related to the phonon properties.     

Electron-interface-optical-phonon interaction in rectangular quantum wire and quantum dot

Under the dielectric continuum model and separation of variables, the interface optical (IO) phonon modes and electron-optical-phonon interaction in rectangular quantum wire and quantum dot embedded in a nonpolar matrix are studied. We found that there exist various types of IO phonon modes in rectangular nanostructures. The IO phonon modes in rectangular quantum wire include IO-propagating (IO-PR) and IO-IO hybrid phonon modes, while the IO phonon modes in rectangular quantum dot contain IO-IO-PR and IO-PR-PR hybrid phonon modes. The results of numerical calculation show that these hybrid phonon modes contain corner optical (CO) phonon modes and edge optical (EO) phonon modes. The potential applications of these results are also discussed.     

Polarons in a cylindrical quantum well wire with finite confining potential

The polaron self-energy and the correction to the electron effective mass in a cylindrical quantum well wire (QWW) are studied by the perturbation approach. The interactions of electrons with different phonon modes in the QWW system, including the confined longitudinal optical phonon modes, in the wire (LO1), in the barrier materials (LO2) and in the interface optical (IO) phonon modes, are considered. The result shows that the LO1 phonon’s contribution to the polaron self-energy increases gradually as the radius of the wire increases, and finally reaches that of the three-dimensional limit, while the LO2 phonon contributes only when the radius of the wire is very small. Also, the contribution of the IO phonon modes first increases quickly as the wire radius increases and soon reaches a maximum, then reduces to zero monotonically.     

Polaron self-energy and effective mass in a freestanding cylindrical quantum wire

The polaron self-energy and correction to the electron effective mass in a freestanding quantum wire is investigated by the perturbation approach.The polaron effect of the electron-confined longitudinal optical (LO) phonon and surface optical (SO) phonon interactions are separately worked out. Numerical calculation on a GaAs quantum wire shows that the confined LO phonon contribution to the polaron self-energy is relatively small for a narrow wire and gradually approach that of the bulk material when the radius of the wire increases. While the contribution of the SO phonon modes is big for small wire radius and then decreases as the radius increases.     

The influence of structural features on the thermal conductivity of polycrystalline zinc sulfide

The thermal conductivity of single-crystal zinc sulfide and optically transparent zinc sulfide polycrystals differing in crystal grain size and density is experimentally investigated in the temperature range 80–400 K. It is shown that the thermal conductivity of polycrystalline samples substantially depends on the crystal grain size and the defect concentration in the grain-boundary layers. In zinc sulfide samples with a grain size of 1 μm, excess thermal resistance due to phonon scattering by grain boundaries is observed at temperatures T<130 K. It is demonstrated that, at higher temperatures (T>210 K), the heat transfer is associated not only with transverse phonon modes but also with longitudinal phonon modes and the role of the latter modes increases with an increase in temperature. __________ Translated from Fizika Tverdogo Tela, Vol. 44, No. 2, 2002, pp. 251–256. Original Russian Text Copyright ? 2002 by Lugueva, Luguev.     

Sound-based analogue of cavity quantum electrodynamics in silicon

A quantum mechanical superposition of a long-lived, localized phonon and a matter excitation is described. We identify a realization in strained silicon: a low-lying donor transition (P or Li) driven solely by acoustic phonons at wavelengths where high-Q phonon cavities can be built. This phonon-matter resonance is shown to enter the strongly coupled regime where the "vacuum" Rabi frequency exceeds the spontaneous phonon emission into noncavity modes, phonon leakage from the cavity, and phonon anharmonicity and scattering. We introduce a micropillar distributed Bragg reflector Si/Ge cavity, where Q?10(5)-10(6) and mode volumes V?25λ(3) are reachable. These results indicate that single or many-body devices based on these systems are experimentally realizable.     

Uniform Descriptions of Electron-IO Phonon Interaction in Structures of Multi-layer Coupling Low-dimensional Systems

By using the transfer matrix method, within the framework of the dielectric continuum approximation, uniform forms for the interface optical (IO) phonon modes as well as the corresponding electron-IO phonon interaction Hamiltonians in n-layer coupling low-dimensional systems (including the coupling quantum well (CQW), coupling quantum-well wire (CQWW), and coupling quantum dot (CQD)) have been presented. Numerical calculations on the three-layer asymmetrical AlGaAs/GaAs systems are performed, and the analogous characteristics for limited frequencies of IO phonon in the three types of systems (CQW, CQWW, and CQD) when the wave-vector and the quantum number approach zero or infinity are analyzed and specified.     

Uniform Descriptions of Electron-IO Phonon Interaction in Structures of Multi-layer Coupling Low-dimensional Systems

By using the transfer matrix method, within the framework of the dielectric continuum approximation,uniform forms for the interface optical (IO) phonon modes as well as the corresponding electron-IO phonon interaction Hamiltonians in n-layer coupling low-dimensional systems (including the coupling quantum well (CQ W), coupling quantum-well wire (CQWW), and coupling quantum dot (CQD)) have been presented. Numerical calculations on the three-layer asymmetrical AIGaAs/GaAs systems are performed, and the analogous characteristics for limited frequencies of IO phonon in the three types of systems (CQW, CQWW, and CQD) when the wave-vector and the quantum number approach zero or infinity are analyzed and specified.     

Electron–phonon interaction in fan-shaped quantum dot and quantum wire

The optical phonon modes and electron–optical-phonon interaction in fan-shaped quantum dot and quantum wire are studied with the dielectric continuum (DC) model and separation of variables. The explicit expressions for the longitudinal optical (LO) and interface optical (IO) phonon eigenmodes are deduced. It is found that there exist two types of IO phonon modes: top interface optical (TIO) phonon mode and arc interface optical (AIO) phonon mode, in a fan-shaped quantum dot. After having quantized the eigenmodes, we derive the Hamiltonian operators describing the LO and IO phonon modes as well as the corresponding Fröhlich electron–phonon interaction. The potential applications of these results are also discussed.     

One phonon resonant Raman scattering in free-standing quantum wires

The scattering intensity (SI) of a free-standing cylindrical semiconductor quantum wire for an electron resonant Raman scattering (ERRS) process associated with bulk longitudinal optical (LO) phonon modes and surface optical (SO) phonon modes is calculated separately for T=0 K$T=0\text{K}$. The Fröhlich interaction is considered to illustrate the theory for GaAs and CdS systems. Electron states are confined within a free-standing quantum wire (FSW). Single parabolic conduction and valence bands are assumed. The selection rules are studied. Numerical results and a discussion are also presented for various radii of the cylindrical.     

Anomalous Hall effect in the phonon thermal conductivity of paramagnetic dielectrics

A theory of the phonon Hall effect during heat transfer in a paramagnetic dielectric discovered by Strohm et al. [Phys. Rev. 95, 155901 (2005)] is developed. The heat flux emerging in the direction perpendicular to the magnetic field and to the temperature gradient is associated with the interaction of magnetic ions with the oscillating crystal field. In crystals with an arbitrary phonon spectrum, this interaction induces elliptic polarization of phonons. On the other hand, for any type of scattering, the temperature gradient forms part of the phonon density matrix, which is nondiagonal in modes. The combined action of these factors leads to the anomalous Hall effect.     

Different effect of evanescent modes on acoustic phonon transport in different types of a three-dimensional quantum wire

By the use of the scattering matrix method, we investigate the effect of evanescent modes on acoustic phonon transport and thermal conductance in both convex and concave type three-dimensional quantum wire. Our results show that the evanescent modes can enhance the transmission coefficient and the thermal conductance in the concave type three-dimensional quantum wire. However, for the convex type three-dimensional quantum wire, the evanescent modes can play adverse effect on the phonon transport. When the length of scattering region is large enough, for all types of three-dimensional quantum wire, the influence of evanescent modes on phonon transport becomes very weak.     

Measuring the configurational heat capacity of liquids

A high electric field impedance experiment on supercooled molecular liquids is employed to transfer energy to the slow modes by absorption from the field and detect the increase of their "configurational temperature", T(cfg), via the change of the relaxation times. This allows us to determine the configurational heat capacity, which accounts for most of the excess heat capacity for stronger liquids, but for only half of the heat capacity step in the case of more fragile systems. It is also observed that T(cfg) gradually approaches the phonon temperature on the structural relaxation time scale.     

Polar interface and surface optical vibration spectra in multi-layer wurtzite quantum wires： transfer matrix method

The polar interface optical （IO） and surface optical （SO） phonon modes and the corresponding Froehlich electron phonon-interaction Hamiltonian in a freestanding multi-layer wurtzite cylindrical quantum wire （QWR） are derived and studied by employing the transfer matrix method in the dielectric continuum approximation and Loudon＇s uniaxial crystal model. A numerical calculation of a freestanding wurtzite GaN/AlN QWR is performed. The results reveal that for a relatively large azimuthal quantum number m or wave-number kz in the free z-direction, there exist two branches of IO phonon modes localized at the interface, and only one branch of SO mode localized at the surface in the system. The degenerating behaviours of the IO and SO phonon modes in the wurtzite QWR have also been clearly observed for a small kz or m. The limiting frequency properties of the IO and SO modes for large kz and m have been explained reasonably from the mathematical and physical viewpoints. The calculations of electron-phonon coupling functions show that the high-frequency IO phonon branch and SO mode play a more important role in the electron phonon interaction.     

Optical phonon modes in a free-standing quantum wire with ring geometry

The confined longitudinal-optical (LO) phonon and surface-optical (SO) phonon modes of a free-standing quantum wire with ring geometry are discussed within the dielectric continuum (DC) approximation. Two branches of SO phonon modes have been investigated. The frequencies of the SO phonons are found to be dispersed and radius dependent for small size systems. When the wave vector qz→∞, the frequencies of each SO modes converge to the frequency values of the single planar heterostructure.     

Relaxation times and mean free paths of phonons in the boundary scattering regime for silicon single crystals

The phonon focusing in cubic dielectric crystals and its influence on the heat transfer in the boundary phonon scattering regime at low temperatures have been investigated. The mean free paths of phonons of different polarizations in samples of infinite and finite lengths with circular and square cross sections have been calculated in the anisotropic continuum model. For samples of infinite length with circular and square cross sections in the case of the equality of the cross-sectional areas, the angular dependences of the mean free paths normalized by the Casimir length almost completely coincide. It has been shown that the anisotropy of the mean free paths decreases significantly upon changing over from infinite samples to samples of finite length. For silicon crystals, the anisotropy of the phonon mean free paths has been analyzed for each of the branches of the phonon spectrum. It has been found that the mean free paths for phonons of each vibrational mode reach maximum values in the directions of focusing, and, in these directions, they exceed the mean free paths for phonons of the other vibrational modes.     

Polaronic Effects of an Exciton in a Cylindrical Quantum Wire

The effects of exciton-optical phonon interaction on the binding energy and the total and reduced effective masses of an exciton in a cylindrical quantum wire have been investigated. We adopt a perturbative-PLL [T.D. Lee, F. Low, and D. Pines, Phys. Rev. B90 (1953) 297] technique to construct an effective Hamiltonian and then use a variational solution to deal with the exciton-phonon system. The interactions of exciton with the longitudinal-optical phonon and the surface-optical phonon have been taken into consideration. The numerical calculations for GaAs show that the influences of phonon modes on the exciton in a quasi-one-dimensional quantum wire are considerable and should not be neglected. Moreover the numerical results for heavy- and light-hole exciton are obtained, which show that the polaronic effects on two types of excitons are very different but both depend heavily on the sizes of the wire.     

Effects of fullerene coalescence on the thermal conductivity of carbon nanopeapods

The heat conduction and its dependence on fullerene coalescence in carbon nanopeapods (CNPs) have been investigated by equilibrium molecular dynamics simulations. The effects of fullerene coalescence on the thermal conductivity of CNPs were discussed under different temperatures. It is shown that the thermal conductivity of the CNPs decreases with the coalescence of encapsulated fullerene molecules. The thermal transmission mechanism of the effect of fullerene coalescence was analysed by the mass transfer contribution, the relative contributions of phonon oscillation frequencies to total heat current and the phonon vibrational density of states (VDOS). The mass transfer in CNPs is mainly attributed to the motion of encapsulated fullerene molecule and it gets more restricted with the coalescence of the fullerene. It shows that the low-frequency phonon modes below 20 THz contribute mostly to thermal conductivity in CNPs. The analysis of VDOS demonstrates that the dominating contribution to heat transfer is from the inner fullerene chain. With the coalescence of fullerene, the interfacial heat transfer between the CNT and fullerene chain is strengthened; however, the heat conduction of the fullerene chain decreases more rapidly at the same time.     

Stacked wire media slabs: general theory with application to metamaterial hyperlenses

Metamaterial hyperlenses are novel devices that utilize the unique dispersion properties of hyperbolic metamaterials to resolve subwavelength images. Stacked wire media hyperlenses have been shown to possess advantages over conventional wire media hyperlenses since they decouple the lens length from operating frequency, and broaden the operating bandwidth. We investigate these devices using both a transfer matrix method and tight binding approximation to find the modes in the effective medium regime. We then use semi-analytical and numerical techniques to find the limitations of the analytical model, and gain insight into the regime beyond these limits. We also investigate the modes of stacked WM slabs consisting of dielectric coated wires and discuss potential applications of such structures.     

Origin of low thermal conductivity in nuclear fuels

Using a novel many-body approach, we report lattice dynamical properties of UO2 and PuO2 and uncover various contributions to their thermal conductivities. Via calculated Grüneisen constants, we show that only longitudinal acoustic modes having large phonon group velocities are efficient heat carriers. Despite the fact that some optical modes also show their velocities which are extremely large, they do not participate in the heat transfer due to their unusual anharmonicity. Ways to improve thermal conductivity in these materials are discussed.