Search results for "Phonon"
showing 10 items of 466 documents
Optical Phonons in Quasi-One Dimensional Semiconductors
1993
A lagrangian formalism is systematically established for the treatment of long wavelength polar optical oscillations in quantum wires modeling the system as a macroscopic continuum. Fundamental equations for the vector displacement u and the electric potential ϕ are rigorously derived in the form of four coupled second order partial differential equations. Matching boundary conditions at the interfaces are also rigorously deduced from the fundamental equations and it is proved that no incompatibility between the mechanical and electrostatic matching boundary conditions exists. The case of AlAs-GaAs quantum wires with cylindrical symmetry is discussed.
Orbital dimerization in NaTiSi2O6: An orbital analogue of the spin-Peierls phase transition
2004
We measure the Raman scattering spectra of NaTiSi2O6, analyze the vibrational properties, and study the origin of the phase transition in this compound. In this quasi-one-dimensional S = 1/2 system we observe anomalous high-temperature phonon broadenings, and large changes of the phonon energies and line-widths across the phase transition temperature of 210 K. These results, combined with theoretical considerations, indicate that the phonon anomalies originate from an orbital order-disorder type of phase transition. We find that the high temperature dynamical Jahn-Teller phase of NaTiSi2O6 exhibits a spontaneous breaking of translational symmetry into a dimerized, Jahn-Teller distorted, orb…
Vibrational properties of delafossiteCuGaO2at ambient and high pressures
2005
In this paper we investigate the vibrational properties of $\mathrm{Cu}\mathrm{Ga}{\mathrm{O}}_{2}$ delafossite by means of Raman experiments and ab initio calculations. Both investigations have been performed at ambient pressure and also at high pressure. The two Raman-active modes have frequencies ${w}_{{E}_{g}}=368\ifmmode\pm\else\textpm\fi{}1\phantom{\rule{0.3em}{0ex}}{\mathrm{cm}}^{\ensuremath{-}1}$ and ${w}_{{A}_{1g}}=729\ifmmode\pm\else\textpm\fi{}1\phantom{\rule{0.3em}{0ex}}{\mathrm{cm}}^{\ensuremath{-}1}$, and pressure coefficients $2.78\ifmmode\pm\else\textpm\fi{}0.03\phantom{\rule{0.3em}{0ex}}{\mathrm{cm}}^{\ensuremath{-}1}∕\mathrm{GPa}$ $({E}_{g})$ and $4.64\ifmmode\pm\else\text…
Ab initiostudy of compressedAr(H2)2: Structural stability and anomalous melting
2010
We study the structural stability and dynamical properties of $\text{Ar}{({\text{H}}_{2})}_{2}$ under pressure using first-principles and ab initio molecular-dynamics techniques. At low temperatures, $\text{Ar}{({\text{H}}_{2})}_{2}$ is found to stabilize in the cubic C15 Laves structure $({\text{MgCu}}_{2})$ and not in the hexagonal C14 Laves structure $({\text{MgZn}}_{2})$ as it has been assumed previously. Based on enthalpy energy and phonon calculations, we propose a temperature-induced ${\text{MgCu}}_{2}\ensuremath{\rightarrow}{\text{MgZn}}_{2}$ phase transition that may rationalize the existing discrepancies between the sets of Raman and infrared vibron measurements. Our AIMD simulati…
Resonant hyper-Raman scattering in semiconductors
1998
A theoretical model for resonant hyper-Raman scattering by LO phonons is developed, taking into account excitonic effects. The model is valid for energies below and above an allowed absorption edge. The matrix elements corresponding to the exciton-photon and exciton-phonon interactions are derived analytically, and their contributions to the total scattering efficiency are analyzed. The two main electron-phonon interaction mechanisms present in polar semiconductors, deformation potential, and Fr\"ohlich interaction, are considered. It is shown that the one-phonon resonance hyper-Raman scattering mediated by the deformation potential interaction is dipole forbidden, whereas it is allowed whe…
Role of excitons in double Raman resonances in GaAs quantum wells
1996
Raman scattering by longitudinal-optical phonons has been measured in GaAs-AlAs multiple quantum wells at high magnetic fields. Doubly resonant scattering processes are observed at photon energies corresponding to magneto-excitons with different principal quantum numbers for the incoming and outgoing channels. The existence of these initially forbidden scattering processes, their resonance energies, and their relative intensities are correctly reproduced by our theoretical description. The model takes into account the excitonic nature of the intermediate states, as well as scattering processes involving a nonzero in-plane phonon wave vector, which is required to allow inter-Landau level sca…
Inversion symmetric vs. asymmetric excitations and the low-temperature universal properties of Ar:N 2 and Ar:N 2 :CO glasses
2015
The bias energies of various two-level systems (TLSs) and their strengths of interactions with the strain are calculated for Ar:N2 glass. Unlike the case in KBr:CN, a distinct class of TLSs having weak interaction with the strain and untypically small bias energies is not found. The addition of CO molecules introduces CO flips which form such a class of weakly interacting TLSs, albeit at much lower coupling than that at which they are typically observed in solids. We conclude that because of the absence of a distinct class of weakly interacting TLSs, Ar:N2 is a non-universal glass, the first such system in three dimensions and in ambient pressure. Our results further suggest that Ar:N2:CO m…
Discreteness effects on a sine-Gordon breather
1991
We employ collective-variable theory to describe the dynamics of a breather excitation in its center-of-mass frame in continuous and discrete systems of one spatial dimension. The exact equations of motion for the collective variable and coupled phonon field are derived for any system which supports breatherlike excitations that have even spatial parity where the collective variable represents half the distance between the breather subkinks. We then specialize the theory to the sine-Gordon (SG) case. For the continuum SG system we derive the exact effective potential in terms of the collective variable and discuss the relativistic effects on the breather subkinks which are quite different t…
Quantum chemical study of electron‐phonon interaction in crystals
2013
Study of the interaction of the electromagnetic radiation with nonlocal potentials and the electron-phonon interaction is motivated by its key role in non-classical phenomena in dielectrics and semiconductors. Actual in second quantization is decoupling of the undesirable mixture of electronic and phonon birth/annihilation operators and obtaining the effect of radiation in presence of the nonlocal potentials. Here we transform an arbitrary effective electron- phonon Hamiltonian in two matrices – the matrix of a new interaction Hamiltonian and the matrix of the transformation. For a particular effective Hamiltonian formulated in second quantization these two matrices outline a starting point…
Phonoritons as Hybridized Exciton-Photon-Phonon Excitations in a Monolayer h -BN Optical Cavity
2021
[EN] A phonoriton is an elementary excitation that is predicted to emerge from hybridization between exciton, phonon, and photon. Besides the intriguing many-particle structure, phonoritons are of interest as they could serve as functional nodes in devices that utilize electronic, phononic, and photonic elements for energy conversion and thermal transport applications. Although phonoritons are predicted to emerge in an excitonic medium under intense electromagnetic wave irradiation, the stringent condition for their existence has eluded direct observation in solids. In particular, on-resonance, intense pumping schemes have been proposed, but excessive photoexcitation of carriers prevents op…