Related papers: The Debye-Waller factor of stabilized delta-Pu
A suite measurements of the electrical, thermal, and vibrational properties are conducted on palladium sulfide (PdS) in order to investigate its thermoelectric performance. The tetragonal structure with the space group $P$42/$m$ for PdS is…
We report a fully {\it ab-initio} calculation of the temperature dependence of the electronic band structure of PbTe. We address two main features relevant for the thermoelectric figure of merit: the temperature variations of the direct gap…
Void swelling can develop in materials under persistent irradiation when non-equilibrium vacancy and self-interstitial populations migrate under sufficiently asymmetric interaction biases. In conventional metals, the propensity is…
The muon decay parameter delta characterizes momentum dependence of the parity-violating muon decay asymmetry. A new measurement of delta has been performed using the first physics data recorded by the TWIST experiment at TRIUMF. The…
Certain CP-odd momentum correlations in the production and subsequent decay of $\tau$ pairs in $e^+ e^-$ collisions are enhanced significantly when the $e^+$ and $e^-$ beams are longitudinally polarized. These may be used to probe the real…
We have investigated the weak antilocalization (WAL) in the pressurized Dirac semimetal $\alpha$-(BEDT-TTF)$_2$I$_3$ across a correlation-driven quantum phase transition to a charge-ordered insulating state and evaluated the phase coherence…
This work presents a comprehensive investigation of the HH alloy PdCrAs using first - principles methods, highlighting its potential applications in various fields, including spintronics, thermoelectrics, and optoelectronics. We employed…
In this paper we demonstrate that the weak temperature dependence of structure factor of supercooled liquids, a defining feature of the glass transition, is a consequence of the averaging of the scattering intensity either due to the use of…
This work reports on the first-time study of the temperature-dependent behavior of the Lorenz number of bio-supported average 3.2 nm-thin Ir film down to 10 K. Due to the strong imperfection-electron scattering, a very large residual…
Density functional perturbation theory calculations of alpha-quartz using extended norm conserving pseudopotentials have been used to study the elastic properties and phonon dispersion relations along various high symmetry directions as a…
The damping coefficients for the alkali atoms are determined very accurately by taking into account the optical properties of the atoms and three distinct types of trapping materials such as Au (metal), Si (semi-conductor) and vitreous SiO2…
The Debye temperature, T${_\theta}$=(h/2${\pi}$)/k${_B}$$\omega$$_\theta$, where the Debye frequency $\omega$$_\theta$ is integrated characteristic frequency of full phonon spectrum, $\alpha$$^2$($\omega$)F($\omega$). In the BCS theory,…
We present a detailed analysis of the temperature dependence of the thermal conductivity of a ferroelectric PbTiO3 thin film deposited in a composition-spread geometry enabling a continuous range of compositions from ~25% titanium-deficient…
We measured the thermal conductivity of an icosahedral quasicrystal i-Al_{72}Pd_{19.5}Mn_{8.5} in the temperature range between 0.4 K and 300 K. The analysis of the low-temperature results was based on a Debye-type model. The results of the…
The quest for efficient and sustainable green energy solutions has led to a growing interest in half Heusler alloys, particularly for thermoelectric and spintronic applications. This study investigates the multifaceted nature of cobalt…
We have investigated the phonon, elastic and thermodynamic properties of L1$_{2}$ phase Al$_{3}$Ta by density functional theory approach combining with quasi-harmonic approximation model. The results of phonon band structure shows that…
We measured phonon dispersion in single crystal EuTiO$_3$ using inelastic x-ray scattering. A structural transition to an antiferrodistortive phase was found at a critical temperature $T_0$=287$\pm$1 K using powder and single-crystal x-ray…
The vibrational entropy of a solid at finite temperature is investigated from the perspective of information theory. Ab initio molecular dynamics (AIMD) simulations generate ensembles of atomic configurations at finite temperature from…
In this work, the elastic and thermodynamic properties of Pt$_{3}$Al under high pressure are investigated using density functional theory within the generalized gradient approximation. The results of bulk modulus and elastic constants at…
Self-consistent approach for interacting phonons description in lattice, which generalized Debye model, is proposed. Notion of "self-consistent" phonons is introduced, speed of which depends on temperature and is determined from non-linear…