相关论文: Ab-initio calculation of the Gilbert damping param…
Quasi particle based (e.g. Boltzmann equation) studies of spin wave transport often assume that their scattering rates follow the simple form $\eta=\alpha \omega$, with the Gilbert damping $\alpha$ and frequency $\omega$. In this work, we…
The Smrcka-Streda version of Kubo's linear response formula is widely used in the literature to compute non-equilibrium transport properties of heterostructures. It is particularly useful for the evaluation of intrinsic transport properties…
We employ the linear response theory to calculate the polarization rate of heavy quark spin in the presence of a strong magnetic field and the hot QCD matter, both of which are simultaneously generated in relativistic heavy-ion collisions.…
An autocorrelation function is obtained on the base of the recurrence relation formalism, whose continued fraction form corresponds to that of golden ratio. It turns out that this GR autocorrelation is known in science and obeys all…
While the ground state of magnetic materials is in general well described on the basis of spin density functional theory (SDFT), the theoretical description of finite-temperature and non-equilibrium properties require an extension beyond…
In this work, the conformable Bateman Lagrangian for the damped harmonic oscillator system is proposed using the conformable derivative concept. In other words, the integer derivatives are replaced by conformable derivatives of order…
The thermal properties of bulk copper are investigated by performing ab initio DFT and DFPT calculations and using the quasiharmonic approximation for the free energy. Using both the LDA and the GGA for the exchange-correlation potential,…
New terms to the dynamical equation of magnetization motion, associated with spin transport, have been reported over the past several years. Each newly identified term is thought to possess both a real and an imaginary effective field…
We present a real-space method for computing the random phase approximation (RPA) correlation energy within Kohn-Sham density functional theory, leveraging the low-rank nature of the frequency-dependent density response operator. In…
Magnetic systems can exhibit thermally activated transitions whose timescales are often described by an Arrhenius law. However, robust predictions of such timescales are only available for certain cases. Inspired by the harmonic theory of…
The stochastic limit approximation method for ``rapid'' decay is presented, where the damping rate \gamma is comparable to the system frequency \Omega, i.e., \gamma \sim \Omega, whereas the usual stochastic limit approximation is applied…
The damping of a massless fermion coupled to a massless scalar particle at finite temperature is considered using the Braaten-Pisarski resummation technique. First the hard thermal loop diagrams of this theory are extracted and effective…
We present and implement a self-consistent D$\Gamma$A approach for multi-orbital models and ab initio materials calculations. It is applied to the one-band Hubbard model at various interaction strengths with and without doping, to the…
We study the reliability of the constrained random phase approximation (cRPA) method for the calculation of low-energy effective Hamiltonians by considering multi-orbital lattice models with one strongly correlated "target" band and two…
Classical-like formulas are given in order to evaluate thermal averages of observables belonging to a quantum nonlinear system with dissipation described by the Caldeira-Leggett model [Phys. Rev. Lett. 46, 211 (1981); Ann. Phys. (N.Y.) 149,…
The parameters of many-body potentials for Co, Nb and Zr metals, based on the embedded-atom method, have been systematically derived. The analytical potential scheme allows us to reproduce correctly the cohesive energies and structural…
We present a longitudinal electrical conductivity calculation method for disordered alloys applicable from a wide range of density functional theory (DFT) codes based on the first-principles Wannier-based coherent potential approximation…
For around 100 years, hydrogen spectral modelling has been based on Voigt profile fitting. The semi-classical Voigt profile is based on a 2-level atom approximation. Whilst the Voigt profile is excellent for many circumstances, the accuracy…
We propose a new quantum transition-state theory for calculating Fermi's golden-rule rates in complex multidimensional systems. This method is able to account for the nuclear quantum effects of delocalization, zero-point energy and…
Heusler alloys have been intensively studied due to the wide variety of properties that they exhibit. One of these properties is of particular interest for technological applications, i.e. the fact that some Heusler alloys are…