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The latest generation of transistors are nanoscale devices whose performance and reliability are limited by thermal noise in low-power applications. Therefore developing efficient methods to compute the voltage and current fluctuations in…
A thermodynamic analysis of the harmonic oscillator is presented. Motivation for the study is provided by the blackbody radiation spectrum; when blackbody radiation is regarded as a system of noninteracting harmonic oscillator modes, the…
Significant attention has been recently focused on the realization of high precision nano-thermometry using the spin-resonance temperature shift of the negatively charged nitrogen-vacancy (NV-) center in diamond. However, the precise…
Using as a thermometer the temperature dependent magneto-transport of a two-dimensional electron gas, we find that effective temperature scales with current as $T_{\rm e} \sim I^a$, where $a=0.4 \pm 2\%$ in the {\it Shubnikov de-Haas}…
Results of the first-principles calculations are presented for the group-VB metals V, Nb and Ta up to couple of megabar pressure. An unique structural phase transition sequence BCC-->(at 60 GPa) rhombohedral (angle=110.5 degree)-->(at ~ 160…
Understanding the thermal conductivity of chromium doped V2O3 is crucial for optimizing the design of selectors for memory and neuromorphic devices. We utilized the time-domain thermoreflectance technique to measure the thermal conductivity…
We calculate explicitly the variation $\delta T_c$ of the Bose-Einstein condensation temperature $T_c$ induced by weak repulsive two-body interactions to leading order in the interaction strength. As shown earlier by general arguments,…
We present the non-perturbative computation of the entropy density in QCD for temperatures ranging from 3 GeV up to the electro-weak scale, using $N_f=3$ flavours of massless O$(a)$-improved Wilson fermions. We adopt a new strategy designed…
The two-phase thermodynamic (2PT) model {[}J. Chem. Phys., \textbf{119}, 11792 (2003){]} provides a promising paradigm to efficiently determine the ionic entropies of liquids from molecular dynamics (MD). In this model, the vibrational…
Internal energies, enthalpies, phonon dispersion curves, and superconductivity of atomic metallic hydrogen are calculated. The (standard) use pseudopotentials in density-functional theory are compared with full (Coulomb)-potential…
We have calculated the implicit shift for various modes of frequency in a pure graphene sheet. Thermal expansion and Gr\"uneisen parameter which are required for implicit shift calculation have already been studied and reported. For this…
A quantitative analysis of the process of condensation of bosons both in harmonic traps and in gases is made resorting to two ingredients only: Bose classical distribution and spectral discretness. It is shown that in order to take properly…
Vapor deposition on polycrystalline films can lead to staggering levels of compressive stress, exceeding even the yield strength of the films. Mysteriously, a significant part of this stress has a reversible nature: it disappears when the…
We calculate the in-plane Seebeck coefficient of Sr$_2$RuO$_4$ within a framework combining electronic structure and dynamical mean-field theory. We show that its temperature-dependence is consistent with entropic considerations embodied in…
The Allen-Heine-Cardona theory allows us to calculate phonon-induced electron self-energies from first principles without resorting to the adiabatic approximation. However, this theory has not been able to account for the change of the…
The recent experimental discoveries about excitation energy transfer (EET) in light harvesting antenna (LHA) attract a lot of interest. As an open non-equilibrium quantum system, the EET demands more rigorous theoretical framework to…
We present a study of the structural phase transition, mechanical and thermodynamic properties of UO$_{2}$ by means of the local density approximation (LDA)$+U$ approach. A phase transition pressure of 40 GPa, which agrees well with the…
From thermodynamic analysis we demonstrate that during metal-insulator transitions in pure matters, a nonequilibrium homogeneous state may be unstable against charge density modulations with certain wavelengths, and thus evolves to the…
A 2D temperature-dependent effective potential is calculated for the interacting longitudinal and transverse $L-$phonons of $\beta$ zirconium in the frozen-phonon model. The effective potentials obtained for different temperatures are used…
We present electronic structure calculations, electrical resistivity data and the first specific heat measurements in the normal and superconducting states of quasi-one-dimensional M2Mo6Se6 (M = Tl, In, Rb). Rb2Mo6Se6 undergoes a…