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A combination of the memory function formalism and time-dependent density-functional theory is applied to transport in dilute magnetic semiconductors. The approach considers spin and charge disorder and electron-electron interaction on an…
One initial and essential question of magnetism is whether the magnetic properties of a material are governed by localized moments or itinerant electrons. Here we expose the case for the weakly ferromagnetic system FeGa$_{3-y}$Ge$_y$…
The purpose of this paper is to indicate that the recently proposed Momentum fractional least mean squares (mFLMS) algorithm has some serious flaws in its design and analysis. Our apprehensions are based on the evidence we found in the…
The logarithmic convexity of restrictions of the Beta functions to rays parallel to the main diagonal and the functional equation \[ \phi\left( x+1\right) =\frac{x\left( x+k\right) }{\left( 2x+k+1\right) \left( 2x+k\right) }\phi\left(…
We employ the dynamical mean field approximation to perform a systematic study of magnetism in Ga_{1-x}Mn_xAs. Our model incorporates the effects of the strong spin-orbit coupling on the J=3/2 GaAs valence bands and of the exchange…
We study the renormalization of the quasiparticle properties in weak ferromagnetic metals, due to spin fluctuations, away from the quantum critical point for small magnetic moment. We explain the origin of the s-wave superconducting…
A brief review of experimental and theoretical studies of half-metallic ferromagnets (HMF) and spin gapless semiconductors (SGS) is given. The data on resistivity and magnetoresistivity are presented. An important role of non-quasiparticle…
In electromagnetic simulations of magnets and machines one is often interested in a highly accurate and local evaluation of the magnetic field uniformity. Based on local post-processing of the solution, a defect correction scheme is…
The correct treatment of d electrons is of prime importance in order to predict the electronic properties of the prototype chalcopyrite semiconductors. The effect of d states is linked with the anion displacement parameter u, which in turn…
Meta-learning and few-shot prompting are viable methods to induce certain types of compositional behaviour. However, these methods can be very sensitive to the choice of support examples used. Choosing good supports from the training data…
The density functional theory (DFT) approximations that are the most accurate for the calculation of band gap of bulk materials are hybrid functionals like HSE06, the MBJ potential, and the GLLB-SC potential. More recently, generalized…
We derive the thermodynamic entropy of the mean field $\phi^{6}$ spin model in the framework of the micro-canonical ensemble as a function of the energy and magnetization. Using the theory of large deviations and Rugh's micro-canonical…
A novel general framework for the study of $\Gamma$-convergence of functionals defined over pairs of measures and energy-measures is introduced. This theory allows us to identify the $\Gamma$-limit of these kind of functionals by knowing…
Accurate modeling of spin-orbit coupling and noncollinear magnetism requires noncollinear density functionals within the two-component generalized Kohn-Sham (GKS) framework, yet constructing and implementing noncollinear functionals remains…
Electronic structure Korringa-Kohn-Rostoker calculations for the $\sigma$-phase in Fe$_{100-x}$V$_x$ were performed in compositional range of its occurance ($\sim 34 \le x \le \sim 65$). Fe and V magnetic moments and hyperfine fields were…
Consequences of anisotropy (variation of orbital occupation) and magnetism, and their coupling, are analyzed for LSDA+U functionals, both the commonly used ones as well as less commonly applied functionals. After reviewing and extending…
We argue, in contrast to recent studies, that the antiferromagnetic superexchange coupling between nearest neighbour spins does not fully destroy the ferromagnetism in dilute magnets with long-ranged ferromagnetic couplings. Above a…
We have performed a systematic investigation of the longitudinal and transverse magnetoresistance of a single ferromagnetic domain in (Ga,Mn)As. We find that, by taking into account the intrinsic dependence of the resistivity on the…
In spite of 40 years of experimental studies and several theoretical proposals, an overall interpretation of the complex behavior of the magnetoresistance (MR) of multilayer graphene, i.e. graphite, at high fields ($B \lesssim 70~$T) and in…
Smooth, highly accurate analytical representations of Fermi-Dirac (FD) integral combinations important in free-energy density functional calculations are presented. Specific forms include those that occur in the local density approximation…