Related papers: Model Hamiltonian parameters for half-metallic fer…
Scanning probe microscopy and spectroscopy, and more recently in combination with electron spin resonance, have allowed the direct observation of electron dynamics on the single-atom limit. The interpretation of data is strongly depending…
The antiferromagnetic (AFM) semimetal YbMnSb$_2$ has recently been identified as a candidate topological material, driven by time-reversal symmetry breaking. Depending on the ordered arrangement of Mn spins below the N\'{e}el temperature,…
The emergence of topologically non-trivial flat bands in moir\'e materials provides an opportunity to explore the interplay between topological physics and correlation effects, leading to the recent experimental realization of interacting…
We introduce and study a minimum two-orbital Hubbard model on a triangular lattice, which captures the key features of both the trilayer ABC-stacked graphene-boron nitride heterostructure and twisted transition metal dichalcogenides in a…
A ternary ferrimagnetic half-metal, constructed through substituting 25% Fe for Mn in zincblende semiconductor MnTe, is predicted in terms of accurate first-principles calculations. It has a large half-metallic (HM) gap of 0.54eV and its…
Otherwise antiferromagnetic chromium is shown to couple ferromagnetically when doped into GaN irrespective of whether the host is a crystal or a cluster. The results on the doped clusters and crystals are obtained from density functional…
We study electronic properties of solids with correlated d electrons which could be described by a multiband Hubbard Hamiltonian in the weak-interaction case, $U/w<1$. The one-electron part of the many-body Hamiltonian is described by a…
Spin-orbit coupling (SOC) is expected to partly determine the topologically nontrivial electronic structure of heavy half-Heusler ternary compounds. However, to date, attempts to experimentally observe either the strength of SOC or how it…
We present electronic structure calculations of a CrO$_{2}$ compound in the paramagnetic state within the computational scheme of density-functional theory combined with dynamical mean-field theory. We find that CrO$_{2}$ in the…
We study the origin of the gap and the role of chemical composition in the half-ferromagnetic Heusler alloys using the full-potential screened KKR method. In the paramagnetic phase the C1_b compounds, like NiMnSb, present a gap. Systems…
In this work, we report the successful synthesis of a Fe-based novel half-metallic quaternary Heusler alloy FeMnVGa and its structural, magnetic and transport properties probed through different experimental methods and theoretical…
The half-Heusler alloy RuMnGa having valence electron count (VEC) 18 has recently been theoretically proposed to exhibit compensated ferrimagnetic (CFiM) character instead of the expected nonmagnetic ground state. On the other hand, a…
The interplay between half-metallic ferromagnetism and spin-orbit coupling within the inversion symmetry-broken structure of half Heuslers provides an ideal platform for various spintronics functionalities. Taking advantage of good lattice…
This work presents a tensorial approach to constructing data-driven reduced-order models corresponding to semi-discrete partial differential equations with canonical Hamiltonian structure. By expressing parameter-varying operators with…
We study a two-dimensional single band Hubbard Hamiltonian with antisymmetric spin-orbit coupling. We argue that this is the minimal model to understand the electronic properties of locally non-centrosymmetric transition-metal (TM) oxides…
The mechanism of backbending is semi-phenomenologically investigated based on the hybridization of two rotational bands. These bands are defined by treating a model Hamiltonian describing two interacting subsystems: a set of particles…
The first step in the calculation of semi-leptonic form factors in the decay of heavy mesons is the tuning of the hopping parameter $\kappa$ for the charm and bottom quark masses. Results for the Oktay-Kronfeld (OK) action are presented for…
The "Hydrogen atom" of magnetic Weyl semimetals, with the minimum number of Weyl points, have received growing attention recently due to the possible presence of Weyl-related phenomena. Here, we report a nontrivial electronic structure of…
We use the many techniques of alloy theory to study antiferromagnetic NiO, considered as an alloy of spin-up and spin-down Ni atoms. The questions are: the true antiferromagnetic ground state and the possibility of obtaining ferrimagnetic…
We theoretically show that IV-VI semiconducting compounds with low-temperature rhombohedral crystal structure represent a new potential platform for topological semimetals. By means of minimal $\mathbf{k}\cdot\mathbf{p}$ models we find that…