Related papers: Strain-induced half-metallic ferromagnetism in zin…
Structural defects are important for both solid-state chemistry and physics, as they can have a significant impact on chemical stability and physical properties. Here, we identify a vacancyinduced pseudo-gap formation in antiferromagnetic…
The binary manganese aluminium (MnAl) alloy with L$1_0$ crystal structure is a promising rare earth element-free permanent magnetic material because of its exceptional magnetic properties. However, experimentally synthesizing it in a stable…
First-principles calculations and a tight-binding analysis predict that the iron-pnictide BaCrFeAs2 is a promising candidate for half-metallic material with fully-compensated magnetization. The transition-metal ions Cr and Fe prefer the…
Half-metallic ferromagnetic full-Heusler alloys containing Co and Mn, having the formula Co$_2$MnZ where Z a sp element, are among the most studied Heusler alloys due to their stable ferromagnetism and the high Curie temperatures which they…
The static and dynamic properties of V^{4+} spins (S = 1/2) in the frustrated square lattice compound Pb2(VO)(PO4)2 were investigated by means of magnetic susceptibility chi and 31P nuclear magnetic resonance (NMR) shift (K) and 31P nuclear…
We study ferromagnetism and its stability in twisted bilayer graphene. We work with a Hubbard-like interaction that corresponds to the screened Coulomb interaction in a well-defined limit where the Thomas-Fermi screening length…
In this work we report the results of DC susceptibility, AC susceptibility and related technique, resistivity, transverse and longitudinal magnetoresistance and heat capacity on polycrystalline magnetic semimetal CeAlGe. This compound…
In the spirit of searching for Gd-based, frustrated, rare earth magnets, we have found antiferomagnetism (AF) in GdPtPb which crystallizes in the ZrNiAl-type structure that has a distorted Kagom\'e lattice of Gd-triangles. Single crystals…
Density functional theory calculations within the generalized gradient approximation are employed to study the ground state of Co2FeAl. Various magnetic configurations are considered to find out its most stable phase. The ferromagnetic…
We report $^{31}$P NMR studies of an oriented polycrystalline superconductor of Ba$_{0.5}$Sr$_{0.5}$Fe$_{2}$(As$_{1-x}$P$_{x}$)$_{2}$ with $x\sim$ 0.4 ($T_\mathrm{c}$ = 29 K) at $T$ = 14$-$325 K and $B_{0}$ = 1 and 5 T. The $^{31}$P Knight…
The flat bands resulting from moir\'e superlattices in magic-angle twisted bilayer graphene (MATBG) and ABC-trilayer graphene aligned with hexagonal boron nitride (ABC-TLG/hBN) have been shown to give rise to fascinating correlated electron…
It is shown that the semimetallic state of the two-dimensional honeycomb lattice with a point-like Fermi surface is unstable towards a canted antiferromagnetic insulator upon application of an in-plane magnetic field. This instability is…
The half metallic properties of Ti\raisebox{-.2ex}{\scriptsize 2}CoSn full-Heusler compound is studied within the framework of the density functional theory with the Perdew Burke Ernzerhof generalized gradient approximation (GGA).…
A metastable phase of NbN with superconducting Tc=16.4 K was reported recently by Treece and collaborators. The reported structure of the thin film sample deviates from the rocksalt (B1) NbN structure with 25% ordered vacancies on each…
Trillium lattices formed by corner-shared triangular units are the platform for magnetic frustration in three dimensions. Herein, we report structural and magnetic properties of the Cr-based double trillium lattice material…
Ternary transition metal nitrides (TMNs) promise to significantly expand the material design space by opening new functionality and enhancing existing properties. However, most systems have only been investigated computationally and limited…
We report first-principles calculations of zinc-blende half-metals, identifying systems for epitaxial growth with semiconductors, and present calculations for CrAs/GaAs multilayers. We find that half-metallicity is conserved troughout the…
We calculate the dispersion equations for magnetoplasmons in a single layer, a pair of parallel layers, a graphite bilayer and a superlattice of graphene layers in a perpendicular magnetic field. We demonstrate the feasibility of a…
The phase stability of the various crystalline structures of the super-heavy element Copernicium was determined based on the first-principles calculations with different levels of the relativistic effects. We utilized the Darwin term,…
We report first principles calculations of the structural, electronic, elastic and vibrational properties of the semiconducting orthorhombic ZnSb compound. We study also the intrinsic point defects in order to eventually improve the…