Related papers: Model Hamiltonian parameters for half-metallic fer…
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…
Half-metallic ferromagnets (HMF) are on one of the most promising materials in the field of spintronics due to their unique band structure consisting of one spin sub-band having metallic characteristics along with another sub-band with…
Electronic structure calculation were used to predict a new material for spintronic applications. Co2Mn0.5Fe0.5Si is one example which is stable against on-site correlation and disorder effects due to the position of the Fermi energy in the…
Recent experimental work on Mn2RuxGa demonstrates its potential as a compensated ferrimagnetic half-metal (CFHM).Here we present a set of high-throughput ab initio density functional theory calculations and detailed experimental…
Rapid developments in material research of metallic ferromagnetic (III,Mn)V semiconductors over the past few years have brought a much better understanding of these complex materials. We review here some of the main developments and current…
Double perovskites like Sr$_2$FeMoO$_6$ are materials with half-metallic ground states and ferrimagnetic T$_{\rm{c}}$'s well above room temperature. This paper is the second of our comprehensive theory for half metallic double perovskites.…
MNDO-based semiempirical methods in quantum chemistry have found widespread application in the modelling of large and complex systems. A method for the analytic evaluation of first and second derivatives of molecular properties against…
The correlated motion of electrons in multi-orbital metallic ferromagnets is investigated in terms of a realistic Hubbard model with {\cal N}-fold orbital degeneracy and arbitrary intra- and inter-orbital Coulomb interactions U and J using…
Density functional theory calculations are carried out to study the electronic and topological properties of $M$P$X_3$ ($M$ = Mn, Fe, Co, Ni, and $X$ = S, Se) monolayers in the ferromagnetic (FM) metastable magnetic state. We find that FM…
Molecular nanomagnets are systems with a vast phenomenology and are very promising for a variety of technological applications, most notably spintronics and quantum information. Their low-energy spectrum and magnetic properties can be…
Motivated by the unconventional properties and rich phase diagram of NaxCoO2 we consider the electronic and magnetic properties of a two-dimensional Hubbard model on an isotropic triangular lattice doped with electrons away from…
A simulated annealing (SA) approach is employed in the determination of different tight binding (TB) sets of parameters for the nitride semiconductors AlN, GaN and InN, as well their limitations and potentialities are also discussed. Two…
Magnetic and electronic transport properties of Co$_2$MnZ (Z = Al, Ga, Ge, Si, Sn) Heusler alloys were experimentally investigated. Electrical resistivity, in the temperature range from 4.2 to 300 K, as well as field dependences of the Hall…
Chromium dioxide (CrO2) offers a rare example of metallic ferromagnetism among stoichiometric transition-metal oxides. What makes it even more remarkable is the half-metallic electronic structure. Today, CrO2 is widely used in…
We study a novel S=1/2 cluster chain Hamiltonian which has recently been proposed in the context of the charge ordered low-temperature phase of alpha'-NaV2O5. We perform a detailed investigation of this model within a large range of…
We report our nuclear magnetic resonance (NMR) study on the structurally spin chain compound Ni$_2$NbBO$_6$ with complex magnetic coupling. The antiferromagnetic transition is monitored by the line splitting resulting from the staggered…
By using a multiscale approach based on first-principles density functional theory combined with atomistic spin dynamics, we investigate the electronic structure and magnetization dynamics of an inverse Heusler and a Heusler compound and…
The title material has a quasi-one-dimensional electronic structure and is of considerable interest because it has a metallic phase with properties different from a simple Fermi liquid, a poorly understood "insulating" phase, and a…
NiMnSb is a ferromagnetic half-metal which, because of its rich anisotropy and very low Gilbert damping, is a promising candidate for applications in information technologies. We have investigated the in-plane anisotropy properties of thin,…
We suggest a method for an approximative solution of the two dimensional Hubbard model close to half filling. It is based on partial bosonisation, supplemented by an investigation of the functional renormalisation group flow. The inclusion…