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Magnetic properties of vanadium doped CdTe: Ab initio calculations
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In this paper, the authors applied the ab initio calculations to study the magnetic properties of vanadium doped CdTe and calculated and plotted the density of states (DOS) in the energy diagram for different concentrations of dopants.About:
This article is published in Journal of Magnetism and Magnetic Materials.The article was published on 2017-04-15. It has received 49 citations till now. The article focuses on the topics: Coherent potential approximation & Ab initio quantum chemistry methods.read more
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Insight into electronic structure, magnetic, mechanical and thermodynamic properties of double perovskite Ba2MgReO6: A first-principles investigation
TL;DR: In this article, structural, electronic, magnetic, mechanical and thermodynamic properties of cubic double perovskite oxide Ba2MgReO6 within density functional theory via full potential linearized augmented plane wave (FP-LAPW) and quasi-harmonic Debye approximation were investigated.
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Magnetic properties and half metallic behavior of the Full-Heusler Co2FeGe alloy: DFT and Monte Carlo studies
M. Mouatassime,Y. Selmani,S. Idrissi,L. Bahmad,F. Goumrhar,Hicham Labrim,Abdelilah Benyoussef +6 more
TL;DR: In this article, the authors have used the generalized gradient approximation GGA for the treatment of exchange energy and correlation of Co2FeGe alloys, and they have also taken into account the strong correlations orbital of Co and Fe atoms by applying the GGA+U approximation founded on density functional theory.
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Ab-initio calculations for the electronic and magnetic properties of Cr doped ZnTe
TL;DR: In this paper, the electronic and magnetic properties of ZnTe doped by the transition metal element chromium have been investigated based on the Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA) method within the local density approximation (LDA).
Journal ArticleDOI
Ab initio calculations of the magnetic properties of TM (Ti, V)-doped zinc-blende ZnO
TL;DR: In this article, the magnetic properties of the titanium and vanadium-doped zinc-blende ZnO from first-principles were evaluated using the Korringa-Kohn-Rostoker (KKR) method combined with the coherent potential approximation (CPA) using the local density approximation (LDA).
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Enhanced Electronic and Magnetic Properties of Cr- and Mn-Doped GeC Zinc Blende
TL;DR: In this article, the electronic and magnetic properties of the doped GeC by Cr and Mn are studied using the Koringa-Kohn-Rostoker (KKR) method combined with the coherent potential approximation (CPA).
References
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Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
TL;DR: The authors assess various approximate forms for the correlation energy per particle of the spin-polarized homogeneous electron gas that have frequently been used in applications of the local spin density a...
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Zener Model Description of Ferromagnetism in Zinc-Blende Magnetic Semiconductors
TL;DR: Zener's model of ferromagnetism, originally proposed for transition metals in 1950, can explain T(C) of Ga(1-)(x)Mn(x)As and that of its II-VI counterpart Zn(1)-Mn (x)Te and is used to predict materials with T (C) exceeding room temperature, an important step toward semiconductor electronics that use both charge and spin.
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Diluted magnetic semiconductors
TL;DR: In this paper, the physical properties of diluted magnetic semiconductors (DMS) of the type AII1−xMnxBVI (e.g., Cd1−mnxSe, Hg 1−mnsTe) were reviewed.
Journal ArticleDOI
(Ga,Mn)As: A new diluted magnetic semiconductor based on GaAs
Hideo Ohno,Aidong Shen,Fumihiro Matsukura,Akira Oiwa,Akira Endo,Shingo Katsumoto,Yasuhiro Iye +6 more
TL;DR: In this article, a new GaAs-based diluted magnetic semiconductor, (Ga,Mn)As, was prepared by molecular beam epitaxy and the lattice constant was determined by x-ray diffraction and shown to increase with the increase of Mn composition, x.
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First-principles theory of dilute magnetic semiconductors
Kazunori Sato,Lars Bergqvist,Josef Kudrnovský,Peter H. Dederichs,Olle Eriksson,Ilja Turek,Biplab Sanyal,Georges Bouzerar,Hiroshi Katayama-Yoshida,Van An Dinh,Tetsuya Fukushima,Hidetoshi Kizaki,Rudolf Zeller +12 more
TL;DR: In this article, a review summarizes recent first-principles investigations of the electronic structure and magnetism of dilute magnetic semiconductors (DMSs), which are interesting for applications in spintronics.