Related papers: MgN: a new promising material for spintronic appli…
We present a spin density functional theory (DFT) study for semiconducting ScN and Mn-substituted ScN. Their structural and magnetic properties have been investigated using the all electrons augmented spherical wave method (ASW) with a…
We employ ab-initio electronic structure calculations and study the magnetic properties of CaN and SrN compounds crystallizing in the rocksalt structure. These alkaline-earth metal mononitrides are found to be half-metallic with a total…
The magnetic coupling between doped Mn atoms in clusters as well as crystals of GaN has been studied from first principles using molecular orbital theory for clusters and linearized muffin tin orbitals-tight binding formulation (LMTO-TB)…
Half-metallic ferromagnets can produce fully spin-polarized conduction electrons and can be applied to fabricate spintronic devices. Thus, in this study, the electronic structure, magnetic properties, and optical properties of GaSb, which…
Inorganic nitrides with wurtzite crystal structures are well-known semiconductors used in optoelectronic devices. In contrast, rocksalt-based nitrides are known for their metallic and refractory properties. Breaking this dichotomy, here we…
We present results of a density functional theory study of MnO in the wurtzite structure. Our motivation is provided by recent experiments reporting ferromagnetism in Mn-doped wurtzite structure ZnO. We find that wurtzite MnO a) is not…
Using density-functional theory within the generalized gradient approximation, we show that Si-based heterostructures with 1/4 layer $\delta$-doping of {\em interstitial} Mn (Mn$_{\mathrm int}$) are half-metallic. For Mn$_{\mathrm int}$…
The Mn$_3$Ga Heusler compound and related alloys are the most promising materials for the realization of spin-transfer-torque switching in magneto tunneling junctions. Improved performance can be achieved by high quality interfaces in these…
A computational study of the epitaxial Co2MnSi(001)/MgO(001) interface relevant to tunneling magnetoresistive (TMR) devices is presented. Employing ab initio atomistic thermodynamics, we show that the Co- or MnSi-planes of bulk-terminated…
Mn doped semiconductors are extremely interesting systems due to their novel magnetic properties suitable for the spintronics applications. It has been shown recently by both theory and experiment that Mn doped GaN systems have a very high…
This work presents results for the magnetic properties of the compound GeTe doped with 3d transition metals V, Cr and Mn from the viewpoint of potential application in spintronics. We report a systematic density-functional study of the…
Theoretical and experimental investigation of the electronic and magnetic structure of transition metal atoms on an insulating interface with a metallic substrate at low temperatures is quite challenging. In this paper, we show a density…
We investigate the structural, electronic and magnetic properties of the full Heusler compounds Mn$_2$YSn (Y = Mo, Nb, Zr) by first-principles density functional theory using the generalized gradient approximation. It is found that the…
Recently, a first successful synthesis of the unknown bulk manganese monocarbide (MnC) has been reported. Suggested as a potential superhard material, the compound is found to crystallize in the zincblende (B3) structure. In the present…
We propose the use of resonant tunneling as a route to enhance the spin-transfer torque switching characteristics of magnetic tunnel junctions. The proposed device structure is a resonant tunneling magnetic tunnel junction based on a…
We use a previously proposed theory for the temperature dependence of tunneling magnetoresistance to shed light on ongoing efforts to optimize spin valves. First we show that a mechanism in which spin valve performance at finite…
Nb and its compounds are widely used in quantum computing due to their high superconducting transition temperatures and high critical fields. Devices that combine superconducting performance and spintronic non-volatility could deliver…
A report of progress in spintronics-related works involving group III nitrides is given emphasizing contradictory opinions concerning basics characteristics of these materials. The actual position of magnetic impurities in the GaN lattice…
Using {\it ab initio} total energy density-functional theory calculations, we investigate the electronic, structural and magnetic properties of Manganese doped Germanium nanowires. The nanowires have been constructed along the [110]…
Magnetism is a prototypical phenomenon of quantum collective state, and has found ubiquitous applications in semiconductor technologies such as dynamic random access memory (DRAM). In conventional materials, it typically arises from the…