Related papers: Cr doped III-V nitrides: potential candidates for …

In this paper we investigate theoretically the ground state NiAs-type structure of MnAs and we compare the magnetic and structural properties with an hypothetical zincblende structure. A zincblende structure can be obtained, in principle,…

The future of spintronic and semiconductor applications demands materials with tailored electronic and magnetic properties. This study uses density functional theory to investigate the electronic structure of the half-metallic compound…

The crystallographic, magnetic, and transport properties of the van der Waals bonded, layered compound CrTe3 have been investigated on single crystal and polycrystalline materials. The crystal structure contains layers made up of lozenge…

A review is given of advances in the field of carrier-controlled ferromagnetism in Mn-based diluted magnetic semiconductors and their nanostructures. Experimental results for III-V materials, where the Mn atoms introduce both spins and…

CrI3, as a soft van der Waals layered magnetic material, has been widely concerned and explored for its magnetic complexity and tunability. In this work, high quality and large size thin CrI3, V and Mn doped single crystals were prepared by…

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…

The materials with spin-polarized electronic states have attracted a huge amount of interest due to their potential applications in spintronics. Based on first-principles calculations, we study the electronic characteristics of a series of…

We present a first-principles theoretical study of electric field-and strain-controlled intrinsic half-metallic properties of zigzagged aluminium nitride (AlN) nanoribbons. We show that the half-metallic property of AlN ribbons can undergo…

Based on systematic first-principles density-functional theory (DFT) simulations, we predict that the zigzag GaN nanoribbons (ZGaNNR) can be used both as highly efficient CO detectors as well as spin filters. Our calculations performed both…

Mn doping in dilute III-V alloys has been examined as a route to enhance ferromagnetic stability. Strong valence band bowing is expected at the dilute limit, implying a strong modification of the ferromagnetic stability upon alloying, with…

We report first principles theory based electronic structure studies of a semiconducting stoichiometric cage-like Cd9Te9 cluster. Substantial changes are observed in the electronic structure of the cluster on passivation with fictitious…

The dilute magnetic semiconductors have promise in spin-based electronics applications due to their potential for ferromagnetic order at room temperature, and various unique switching and spin-dependent conductivity properties. However, the…

XX'YZ equiatomic quaternary Heusler alloys (EQHA's) containing Cr, Al, and select Group IVB elements ($\textit{M}$ = Ti, Zr, Hf) and Group VB elements ($\textit{N}$ = V, Nb, Ta) were studied using state-of-the-art density functional theory…

Present work reports a detailed investigation on the magnetoresistance and magnetocaloric behavior of Ni and Cr-doped Mn$_5$Si$_3$ alloys with general formula Mn$_{5-x}$A$_x$Si$_3$ (where A = Ni/Cr; $x$ = 0, 0.05, 0.1 and 0.2). Both pure…

Density functional calculations were performed to systematically study a series of finite and infinite cluster-assembled silicon nanotubes (SiNTs). One-dimensional SiNTs can be prepared by proper assembly of hydrogenated cage-like silicon…

Diluted Magnetic Semiconductors (DMS) doped with a small concentration of magnetic impurities inducing ferromagnetic DMSs have attracted a lot of attention in the few last years. In particular, DMS based on III-V and II-VI semiconductors…

The control of spin without magnetic field is one of challenges in developing spintronic devices. In an attempt to solve this problem, we proposed a novel hypothetic LaMn0.5Zn0.5AsO alloy from two experimentally synthesized rare earth…

This study reports the synthesis and characterization of nanocrystalline Ni0.5Co0.2Zn0.3BixFe2-xO4 x varis by 0.0, 0.025, 0.050, 0.075, 0.100 ferrites synthesized via the sol-gel auto combustion method.The low coercivity values 23.68 to…

We predict intrinsic half-metallicity in armchair boron nitride nanoribbons (ABNNRs) via edge fluorination. The stability, electronic and magnetic properties of bare and edge fluorinated ABNNRs have been systematically analyzed by means of…

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…