Related papers: MgN: a new promising material for spintronic appli…
The magnetostructural coupling between the structural and the magnetic transition plays a crucial role in magnetoresponsive effects in a martensitic-transition system. A combination of various magnetoresponsive effects based on this…
Spin semimetals are amongst the most recently discovered new class of spintronic materials, which exhibit a band gap in one spin channel and semimetallic feature in the other, thus facilitating tunable spin transport. Here, we report…
Here we present experimental and computational evidences to support that rock-salt cubic VO is a strongly correlated metal with Non-Fermi-Liquid thermodynamics and an unusually strong spin-lattice coupling. An unexpected change of sign of…
The recent development of MBE techniques for growth of III-V ferromagnetic semiconductors has created materials with exceptional promise in spintronics, i.e. electronics that exploit carrier spin polarization. Among the most carefully…
The structure, lattice dynamics and mechanical properties of the magnesium hydroxide have been investigated with static density functional theory calculations as well as \it {ab initio} molecular dynamics. The hypothesis of a superstructure…
High energy density magnets are preferred over induction magnets for many applications, including electric motors used in flying rovers, electric vehicles, and wind turbines. However, several issues related to cost and supply with…
The magnetic and electrical properties of nitrogen doped diamond system have been studied within the framework of a density functional theoretical approach. Spin-polarised calculations reveal that only the nitrogen doped system with…
We study the electronic structure and magnetism of 25% Mn substituted cubic Zirconia (ZrO2) with several homogeneous and heterogeneous doping profiles using density-functional theory calculations. We find that all doping profiles show…
Flat magnetic nano-elements are an essential component of current and future spintronic devices. By shaping an element it is possible to select and stabilize chosen metastable magnetic states, control its magnetization dynamics. Here, using…
Diluted magnetic semiconductors (DMS) have attracted significant attention for their potential in spintronic applications. Particularly, magnetically-doped GaN is highly attractive due to its high relevance for the CMOS industry and the…
Magnetic 2D materials have achieved significantly consideration owing to their encouraging applications. A variation of these 2D materials by occurrence of defects, by the transition-metal doping or adsorption or by the surface…
Transition metal dichalcogenides (TMDC) stand out with their high chemical stability and the possibility to incorporate a wide range of magnetic species between the layers. The behavior of conduction electrons in such materials intercalated…
New materials are currently sought for use in spintronics applications. Ferromagnetic materials with half metallic properties are valuable in this respect. Here we present the electronic structure and magnetic properties of binary compounds…
The occurence of spin-polarization at ZrO$_{2}$, Al$_{2}$O$_{3}$ and MgO surfaces is proved by means of \textit{ab-initio} calculations within the density functional theory. Large spin moments, as high as 1.56 $\mu_B$, develop at O-ended…
Ni-Mn-Ga is interesting as a prototype of a magnetic shape-memory alloy showing large magnetic field induced strains. We present here results for the magnetic ordering of Mn-rich Ni-Mn-Ga alloys based on both experiments and theory.…
We have studied in details the electronic structure and magnetism in M (Mn and Cr) doped semiconducting half-Heusler compounds FeVSb, CoTiSb and NiTiSn (XM$_{x}$Y$_{1-x}$Z) in a wide concentration range using local-spin density functional…
Topological magnon is a vibrant research field gaining more and more attention in the past few years. Among many theoretical proposals and limited experimental studies, ferromagnetic Kagome lattice emerges as one of the most elucidating…
Ni-Mn-based Heusler alloys like Ni-Mn-Sn show an elastocaloric as well as magnetocaloric effect during the magneto-structural phase transition, making this material interesting for solid-state cooling application. Material processing by…
MnSiN$_2$ is a transition metal nitride with Mn and Si ions displaying an ordered distribution on the cation sites of a distorted wurtzite-derived structure. The Mn$^{2+}$ ions reside on a 3D diamond-like covalent network with strong…
In this article, we examine the structure and the electronic, optical, and magnetic properties of ZnTe before and after doping with the transition metal Mn. The ab initio calculations of this compound were performed using the full potential…