Related papers: First-Principles Study of the Temperature Dependen…
The magnetic properties of Cu97Co3 and Cu90Co10 granular alloys were measured over a wide temperature range (2 to 300K). The measurements show an unusual temperature dependence of the coercive field. A generalized model is proposed and…
The fission processes of thermal excited nuclei are conventionally studied by statistical models which rely on inputs of phenomenological level densities and potential barriers. Therefore the microscopic descriptions of spontaneous fission…
We calculate numerically the quasiparticle effective mass (m*) renormalization as a function of temperature and electron density in two- and three-dimensional electron systems with long-range Coulomb interaction. In two dimensions, the…
We study correlation effects and temperature dependencies in the electronic structure of thin ferromagnetic local-moment films. In a first step the Kondo-lattice model is investigated as a candidate for a proper representation of…
The temperature dependence of most solid-state properties is dominated by lattice vibrations, but metals display notable purely electronic effects at low temperature, such as the linear specific heat and the linear entropy, that were…
As shown in our previous studies, geometrical field grading techniques such as stacked and protruding substrate designs cannot well mitigate high electric stress issue within power electronics modules. However, it was shown that a…
We present calculations for the temperature-dependent electronic structure of the ferromagnetic semiconductor EuS. A combination of a many-body evaluation of a multiband Kondo-lattice model and a first-principles T=0--bandstructure…
This work aim to study the various thermal characteristics of nuclei in view of the saturation and critical behavior of infinite nuclear matter. The free energy of a nucleus is parametrized using the density and temperature-dependent…
While it is well established that elevated temperatures can induce surface roughening of metal surfaces, the effect of a high electric field on the atomic structure at ambient temperature has not been investigated in detail. Here we show…
We review the leading momentum, frequency and temperature dependences of the single particle self-energy and the corresponding term in the entropy of a two dimensional Fermi liquid (FL) with a free particle spectrum. We calculate the…
We present calculations for the temperature-dependent electronic structure and magnetic properties of thin ferromagnetic EuO films. The treatment is based on a combination of a multiband-Kondo lattice model with first-principles TB-LMTO…
Surface effects on the electronic energy loss of charged particles entering a metal surface are investigated within linear-response theory, in the framework of time-dependent density functional theory. Interesting phenomena occur in the…
We study the temperature-dependent optical properties of gold over a broad energy spectrum covering photon energies below and above the interband threshold. We apply a semi-analytical Drude-Lorentz model with temperature-dependent…
A tight-binding model is fit to first-principles calculations for copper that include structures distorted according to elastic constants and high-symmetry phonon modes. With the resulting model the first-principles-based phonon dispersion…
The value of the scaling parameter $E_{\text{eff}}$ of the temperature dependence for current generated in silicon bulk is investigated for highly irradiated devices. Measurements of devices irradiated to fluences above $1 \times 10^{15}…
A discussion on the determination of effective temperature (Teff) and surface gravity (log g) is presented. The observational requirements for model-independent fundamental parameters are summarized, including an assessment of the accuracy…
We report a systematic and accurate approach for deriving the bulk free energy surface (FES), a function of temperature, polarization, and strain, from the first-principles density functional theory (DFT) of proper ferroelectrics. The core…
After years of research into colossal magnetoresistant (CMR) manganites using bulk techniques, there has been a recent upsurge in experiments directly probing the electronic states at or near the surface of the bilayer CMR materials…
Many-electron systems at substantial finite temperatures and densities present a major challenge to density functional theory. Very little is known about the free-energy behavior over the temperature range of interest, for example, in the…
We investigate the basic thermal, mechanical and structural properties of body centred cubic iron ($\alpha$-Fe) at several temperatures and positive loading by means of Molecular Dynamics simulations in conjunction with the embedded-atom…