Journal ArticleDOI
Optical and Magnetic Properties of Half-metallic (Zn, Mn)O Behaviors with LDA and LDA-SIC Approximations
TLDR
In this article, the optical and magnetic properties of Mn-doped ZnO diluted magnetic semiconductors with acceptor defects by Zn vacancies (VZn) are studied, using the Korringa-Kohn-Rostoker method (KKR) combined with the coherent potential approximation (CPA).Abstract:
Based on first-principles spin-density functional calculations, the optical and magnetic properties of Mn-doped ZnO diluted magnetic semiconductors with acceptor defects by Zn vacancies (VZn) are studied, using the Korringa–Kohn–Rostoker method (KKR) combined with the coherent potential approximation (CPA). Ferromagnetic and half-metallic behaviors were observed and confirmed with the local-moment-disordered (LMD) state energy for local density approximation (LDA) and local density approximation-self-interaction correction (LDA-SIC). The mechanism of hybridization and the interaction between magnetic ions in P-type (Zn, Mn)O are also investigated. Moreover, the optical absorption spectra obtained by ab-initio calculations confirm the ferromagnetic stability based on the charge state of magnetic impurities.read more
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Journal ArticleDOI
Investigations of Electronic Structure and Half-Metallic Ferromagnets in Cr-Doped Zinc-Blende BeS Semiconductor
TL;DR: In this article, first-principle calculations within the framework of density functional theory are employed to study the electronic and half-metallic ferromagnetic properties of Be1−x� Cr�� x S at concentrations x = 0.0625, 0.125, and 0.25 in zinc-blende phase.
Journal ArticleDOI
Theoretical Predictions of Electronic Structure and Half-Metallic Ferromagnetism in Al 1−x Mn x P Diluted Magnetic Semiconductors
TL;DR: The structural, electronic, and half-metallic ferromagnetic properties of ordered zinc blende Al 1−x� Mn x� P diluted magnetic semiconductors with concentrations (x = 0.0625, 0.125, and 0.25) are studied using first-principle calculations of density functional theory in order to seek out the possibility to use these materials for spin injection in the field of spintronic applications as discussed by the authors.
Journal ArticleDOI
Magnetic Properties of Carbon Co-Doped (Zn,Mn)O Using LDA and LDA-SIC Approximations
TL;DR: In this paper, the authors used the ab-initio calculations, based on the Korringa-Kohn-Rostoker (KKR) method combined with the coherent potential approximation (CPA), to simulate the magnetic properties of ZnO, doped and co-doped with manganese and carbon, respectively.
Journal ArticleDOI
Effect of different Mn doping and point vacancy ratios on the magnetic properties of ZnO
TL;DR: In this paper, the effect of different Mn doping to point vacancy ratios on the magnetic properties of ZnO was investigated using the generalized gradient approximation first-principles plane-wave ultra-wave pseudo potential (UPSP) method based on density functional theory.
References
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Book
CRC Handbook of Chemistry and Physics
TL;DR: CRC handbook of chemistry and physics, CRC Handbook of Chemistry and Physics, CRC handbook as discussed by the authors, CRC Handbook for Chemistry and Physiology, CRC Handbook for Physics,
Journal ArticleDOI
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.
Journal ArticleDOI
Making Nonmagnetic Semiconductors Ferromagnetic
TL;DR: The magnetic coupling in all semiconductor ferromagnetic/nonmagnetic layered structures, together with the possibility of spin filtering in RTDs, shows the potential of the present material system for exploring new physics and for developing new functionality toward future electronics.
Journal ArticleDOI
Room-Temperature Ferromagnetism in Transparent Transition Metal-Doped Titanium Dioxide
Yuji Matsumoto,Makoto Murakami,T. Shono,Tetsuya Hasegawa,Tomoteru Fukumura,Masashi Kawasaki,Parhat Ahmet,Toyohiro Chikyow,Shin-ya Koshihara,Hideomi Koinuma +9 more
TL;DR: The observation of transparent ferromagnetism in cobalt-doped anatase thin films with the concentration of cobalt between 0 and 8% is reported, indicating the existence of ferromagnetic long-range ordering.