First Principle Insight into the Structural, Optoelectronic, Half Metallic, and Mechanical Properties of Cubic Perovskite NdInO3
The structural, optoelectronic, magnetic, and elastic properties of cubic perovskite NdInO 3
have been analyzed by spin-polarized density functional theory. The computed values of …
have been analyzed by spin-polarized density functional theory. The computed values of …
The electronic, half-metallic, and magnetic properties of Ca1-xCrxS ternary alloys: insights from the first-principle calculations
The electronic, structural, and magnetic characteristics of Cr atom substituting Ca atom in
rocksalt CaS have been investigated within the formalism of (GGA+ PBE) and PBE with …
rocksalt CaS have been investigated within the formalism of (GGA+ PBE) and PBE with …
First principle insight on physical characteristics of Mn doped BeS compound
The electronic, optical and magnetic properties of Be 1-x Mn x S (x= 3.125%, 6.25%, 12.5%
and 18.75%) semiconductors have been performed by PBEsol+ GGA approximations. The …
and 18.75%) semiconductors have been performed by PBEsol+ GGA approximations. The …
First principle study of vanadium doped ZnS: Structural, electronic, elastic, magnetic and optical properties using mBJ approximation
The structural, electronic, magnetic, mechanical and optical properties of ternary Zn 1− x V x
S (x= 0.0, 0.25, 0.50, 0.75 and 1.0) ferromagnetic semiconductor alloys have been studied in …
S (x= 0.0, 0.25, 0.50, 0.75 and 1.0) ferromagnetic semiconductor alloys have been studied in …
Mechanical and magneto-electronic properties of half-metallic ferromagnetism in Ti-doped ZnSe and CdSe alloys: Ab initio study
In this article we have studied the structural, elastic, electronic and magnetic properties of Zn
1-x Ti x Se and Cd 1-x Ti x Se alloys at (x= 0.25, 0.50, 0.75) using first principles density …
1-x Ti x Se and Cd 1-x Ti x Se alloys at (x= 0.25, 0.50, 0.75) using first principles density …
Density functional theory investigation of half-metallic ferromagnetism in V-doped GaP alloys
The spin polarized structural, electronic, and magnetic properties of zincblende Ga 1− x V x
P (x= 0, 0.25, 0.50, 0.75, and 1) alloys are studied by using the full-potential linearized …
P (x= 0, 0.25, 0.50, 0.75, and 1) alloys are studied by using the full-potential linearized …
V doped Orth-Ga2O3: Half-metallic ferromagnetism, large magnetic anisotropy energy and high Curie temperature
R Zhang, J Fu, Y **ang, L Li, X Wu, S Wu - Journal of Alloys and …, 2025 - Elsevier
Half-metallic ferromagnets have attracted intense interest worldwide and are considered to
be an important component of spintronics devices. In this paper, an unpredicted Ga 2 O 3 …
be an important component of spintronics devices. In this paper, an unpredicted Ga 2 O 3 …
Investigation of thermoelectric and optoelectronic features of Sr1-xMnxTe in ferromagnetic phase
First principles computational methods have employed to explore electronic, structural,
optical, thermoelectric, and magnetic features of SrTe, Sr 0.9375 Mn 0.0625 Te, Sr 0.875 Mn …
optical, thermoelectric, and magnetic features of SrTe, Sr 0.9375 Mn 0.0625 Te, Sr 0.875 Mn …
First-principles calculations to investigate vanadium-doped Li2Te compound for optoelectronic and spintronic applications
The present study reports the structural, electronic, magnetic, and optical properties of
vanadium-doped Li2Te using the ab-initio simulations within the framework of density …
vanadium-doped Li2Te using the ab-initio simulations within the framework of density …
[HTML][HTML] Half-metallic ferromagnetic features of V-doped Cu2O alloys: TB-mBJ and DFT+ U insights
The goal of this study is based on the determination of the half-metallic ferromagnetic
features of V-doped Cu 2 O alloys (Cu 2 (1-x) V 2 x O (x= 0, 0.25, 0.50, 0.75 and 1)) using …
features of V-doped Cu 2 O alloys (Cu 2 (1-x) V 2 x O (x= 0, 0.25, 0.50, 0.75 and 1)) using …