Related papers: Temperature dependent effective third order intera…
We present the interatomic force constants and phonon dispersions of graphite and graphene from the LCBOPII empirical bond order potential. We find a good agreement with experimental results, particularly in comparison to other bond order…
We analyze the mathematical structure of equations for temperature Tc of the superconductivity transition in a gas of interacting Fermi particles or at the phonon-mediated pairing in a metal in case of non-adiabatic conditions, i. e., when…
An experiment to search for the electron electric dipole moment (\eEDM) on the metastable $H^3\Delta_1$ state of ThO molecule was proposed and now in the final stage of preparation by the ACME collaboration [http://www.electronedm.org]. To…
The temperature-dependent thermal conductivities of one-dimensional nonlinear Klein-Gordon lattices with soft on-site potential (soft-KG) have been investigated systematically. Similar to the previously studied hard-KG lattices, the…
We developed a theory of electric and thermoelectric conductivity of lightly doped SrTiO$_3$ in the non-degenerate region $k_B T \geq E_F$, assuming that the major source of electron scattering is their interaction with soft transverse…
Advances in light sources and time resolved spectroscopy have made it possible to excite specific atomic vibrations in solids and to observe the resulting changes in electronic properties but the mechanism by which phonon excitation causes…
Probing detailed spectral dependence of phonon transport properties in bulk materials is critical to improve the function and performance of structures and devices in a diverse spectrum of technologies. Currently, such information can only…
Here, we study the thermoelectric properties of topological semimetal CoSi in the temperature range $300-800$ K by using combined experimental and density functional theory (DFT) based methods. CoSi is synthesized using arc melting…
Motivated by the negative thermal expansion observed for silicon between 20 K and 120 K, we present first an ab initio study of the volume dependence of interatomic force constants, phonon frequencies of TA(X) and TA(L) modes, and of the…
The charge density wave phase transition of 1T-TiSe2 is studied by angle-resolved photoemission over a wide temperature range. An important chemical potential shift which strongly evolves with temperature is evidenced. In the framework of…
Time-dependent density-functional theory (TDDFT) is widely used to describe electronic excitations in complex finite systems with large numbers of atoms, such as biomolecules and nanocrystals. The first part of this paper will give a simple…
A theory of electron-phonon mediated superconductivity requires the knowledge of full phonon spectrum to calculate superconducting transition temperature, T$_c$. However, there is no experimental technique which can measure phonon spectrum…
We report a Raman study of the effect of temperature on the self-energies of optical phonons in a number of transition metals with hexagonal-close-packed structure. Anisotropic softening of phonon energies and narrowing of phonon linewidths…
The phonon dispersion and the electron-phonon interaction for the $\beta$-Po and the bcc high pressure phases of tellurium are computed with density-functional perturbation theory. Our calculations reproduce and explain the experimentally…
We report high-resolution inelastic x-ray measurements of the soft phonon mode in the charge-density-wave compound TiSe$_2$. We observe a complete softening of a transverse optic phonon at the L point, i.e. q = (0.5, 0, 0.5), at T ~…
By applying a quantum Monte Carlo procedure based on the loop algorithm we investigate thermodynamic properties of the two-dimensional antiferromagnetic S=1/2 Heisenberg model coupled to Einstein phonons on the bonds. The temperature…
We report a model-independent measurement of the entropy, energy, and critical temperature of a degenerate, strongly interacting Fermi gas of atoms. The total energy is determined from the mean square cloud size in the strongly interacting…
We study the thermodynamics of the electroweak theory at a finite lepton number density. The phase diagram of the theory is calculated by relating the full 4-dimensional theory to a 3-dimensional effective theory which has been previously…
Graphene exhibits extraordinary electronic and mechanical properties, and extremely high thermal conductivity. Being a very stable atomically thick membrane that can be suspended between two leads, graphene provides a perfect test platform…
In the thermodynamic analysis of thermoelectric devices, typical irreversibilities are for the processes of finite-rate heat transfer, heat leak and Joule heating. Approximate analyses often focus on either internal or external…