Related papers: Half-metallic Zinc-blende Compounds

Oxide based ferromagnet/semiconductor heterostructures offer substantial advantages for spin electronics. We have grown (111) oriented Fe3O4 thin films and Fe3O4/ZnO heterostructures on ZnO(0001) and Al2O3(0001) substrates by pulsed laser…

First principles FPLAPWcalculations were performed in the framework of Density Functional Theory (DFT), to study the electronic structures and magnetic properties for the new full-Heusler compounds: Sc2CoZ (Z=Si, Ge, Sn). The investigated…

We consider theoretically the possibility of coexisting ferroelectric and metallic altermagnetic order, which has recently been predicted in insulating and semiconducting systems via ab initio calculations. Solving self-consistently a…

The structural, electronic, and magnetic properties of half-Heusler alloys CKMg and SiKMg are studied by using first-principle density functional theory. The calculations reveal the SiKMg alloy is a half-metallic ferromagnet with the…

The increasing interest of nanowhiskers for technological applications has led to the observation of the zinc-blend/wurtzite polytypism. Polytypic nanowhiskers could also play, by their characteristics, an important role on the design of…

We review the appearance of Slater-Pauling rules in half-metallic magnets. These rules have been derived using ab-initio electronic structure calculations and directly connect the electronic properties (existence of minority-spin energy…

Using full-potential density functional calculations we have investigated the structural and electronic properties of graphene and some of its structural analogues, viz., monolayer (ML) of SiC, GeC, BN, AlN, GaN, ZnO, ZnS and ZnSe. While…

Topological semimetals, such as the Weyl and Dirac semimetals, represent one of the most active research fields in modern condensed matter physics. The peculiar physical properties of these systems mainly originate from their underlying…

The realization of air-stable 2D metals epitaxial to SiC and capped by graphene creates a potentially immense chemical space of 2D metals and alloys that could expand the variety of solid-state excitations unique to 2D metals beyond what is…

The recent study of oxides led to the discovery of several new fascinating physical phenomena. High-temperature superconductivity, colossal magnetoresistance, dilute magnetic doping, or multiferroicity were discovered and investigated in…

Electronic band structure and optical properties of zinc monochalcogenides with zinc-blende- and wurtzite-type structures were studied using the ab initio density functional method within the LDA, GGA, and LDA+U approaches. Calculations of…

Ground state properties of SiC, AlN, GaN and InN in the zinc-blende and wurtzite structures are determined using an ab initio scheme. For the self-consistent field part of the calculations, the Hartree-Fock program Crystal has been used.…

Some novel quasi-planar chiral inclusions, feasible from standard photo-etching techniques, are proposed. It is shown that such inclusions can be designed in order to present balanced electric, magnetic and magneto-electric…

Calculations using density functional theory (DFT) were performed to investigate the structural, dynamical, mechanical, electronic, magnetic, and thermoelectric properties of VTiRhZ (Z = Al, Ga, In) alloys. The most stable structure of…

We use first-principles calculations to show that van der Waals (vdW) heterostructures consisting of few-layer Bi$_2$Se$_3$ and PtSe$_2$ exhibit electronic and spintronics properties that can be tuned by varying the constituent layers.…

Using first-principles calculations within generalized gradient approximation, the electronic and magnetic properties of zinc blende (zb) CrP/MnP superlattice are investigated. The equilibrium lattice constant is calculated to be…

The electronic structure of materials is fundamentally governed by their crystal symmetry. While most research on two-dimensional materials has focused on hexagonal lattices, such as graphene, hexagonal boron nitride, and transition metal…

The magnetization dynamics in diluted magnetic semiconductor heterostructures based on (Zn,Mn)Se and (Cd,Mn)Te has been studied experimentally by optical methods and simulated numerically. In the samples with nonhomogeneous magnetic ion…

Magnetic materials with noncollinear spin textures are promising for spintronic applications. To realize practical devices, control over the length and energy scales of such spin textures is imperative. The chiral helimagnets Cr1/3NbS2 and…

In the reported study we have investigated the robust phase stability, elasto-mechanical, thermophysical and magnetic properties of KVSb half Heusler compound by implementing density functional theory models in Wien2k simulation package.…