Search results for "Names"
showing 10 items of 6843 documents
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…
Renormalization group flows for Wilson-Hubbard matter and the topological Hamiltonian
2019
Understanding the robustness of topological phases of matter in the presence of interactions poses a difficult challenge in modern condensed matter, showing interesting connections to high energy physics. In this work, we leverage these connections to present a complete analysis of the continuum long-wavelength description of a generic class of correlated topological insulators: Wilson-Hubbard topological matter. We show that a Wilsonian renormalization group (RG) approach, combined with the so-called topological Hamiltonian, provide a quantitative route to understand interaction-induced topological phase transitions that occur in Wilson-Hubbard matter. We benchmark two-loop RG predictions …
Magnetic excitations and phase transition of CsFeBr3 in an external magnetic field
1990
In CSFeBr3 the Fe2+ ion with effective spin one has locally a singlet ground state (m=0). The antiferromagnetic interactions between neighbouring Fe-ions are too weak as compared with the anisotropy constant to introduce long range order in the absence of an external field. By inelastic neutron scattering we studied the magnetic excitations in an external magnetic field up to 5 Tesla applied along thec-axis. A linear Zeeman splitting was observed with a Lande factorg=2.4. The field renormalizes the dispersion curves in such a way that the exchange interaction has decreasing influence with increasing field. Theoretical calculations according to the excitonic model of Lindgard describe the ex…
First-order phase transitions investigated by use of a Monte Carlo interface method
1992
We investigate first-order phase transitions on unfrustrated antiferromagnetic Potts models in two and three dimensions by estimating the interface free energy by use of a Monte Carlo method. Even for strong first-order transitions the occurrence of hysteresis is circumvented and our method allows for an accurate determination of ${\mathit{T}}_{\mathit{c}}$ by locating a \ensuremath{\delta}-function-shaped peak in the energy difference between configurations with and without an interface.
Finite-Size Scaling Study of the Simple Cubic Three-State Potts Glass
1991
During the last few years the Potts glass model has attracted more and more attention. It is considered as a first step towards modelling the phase transition of structural and orientational glasses. A mean-field approach /1/ predicts a low temperature behavior completely different from what is known from Ising spin glasses /2/. But short range models differ markedly from mean-field-predictions. So it is natural to ask, how the short range Potts glass behaves. Especially the question of the lower critical dimension d l is important, below which a finite temperature transition ceases to occur. We tried to answer this by combining Monte-Carlo simulations with a finite-size scaling analysis. T…
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…
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…