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We present a quantitative theory for ferromagnetism in diluted III-V ferromagnetic semi-conductors in the presence of the two types of defects commonly supposed to be responsible for compensation: As anti-sites and Mn interstitials. In each…

无序系统与神经网络 · 物理学 2007-05-23 Georges ~Bouzerar , Timothy Ziman , Josef Kudrnovský

Using hybrid density functional theory, we address point defects susceptible to cause charge compensation upon Mg doping of GaN. We determine the free energy of formation of the nitrogen vacancy and of several Mg-related defects. The…

材料科学 · 物理学 2016-08-01 Giacomo Miceli , Alfredo Pasquarello

We report on a comprehensive combined experimental and theoretical study of Curie temperature trends in (Ga,Mn)As ferromagnetic semiconductors. Broad agreement between theoretical expectations and measured data allows us to conclude that…

We present a combined theoretical and experimental study of the ferromagnetic semiconductor (Ga,Mn)As which explains the remarkably large changes observed on low temperature annealing. Careful control of the annealing conditions allows us…

We consider hypothetical Ga7MnAs8, Ga16MnAs16, and Ga14Mn3As16 crystals with Mn in a substitutional, interstitial, and both positions. Spin-polarized FPLAPW calculations were used to obtain their electronic structure. We show that the…

材料科学 · 物理学 2007-05-23 J. Masek , F. Maca

A microscopic Hamiltonian for interacting manganese impurities in diluted magnetic semiconductors (DMS) is derived. It is shown that in p -type III-V DMS the indirect exchange between Mn impurities has similarities with the Zener mechanism…

凝聚态物理 · 物理学 2009-11-07 V. A. Ivanov , P. M. Krstajic , F. M. Peeters , V. Fleurov , K. Kikoin

While most calculations on the properties of the ferromagnetic semiconductor GaAs:Mn have focussed on isolated Mn substituting the Ga site (Mn$_{Ga}$), we investigate here whether alternate lattice sites are favored and what the magnetic…

凝聚态物理 · 物理学 2009-11-10 Priya Mahadevan , Alex Zunger

A density functional theory of ferromagnetism in heterostructures of compound semiconductors doped with magnetic impurities is presented. The variable functions in the density functional theory are the charge and spin densities of the…

凝聚态物理 · 物理学 2009-11-07 J. Fernandez-Rossier , L. J. Sham

We use the density-functional theory to calculate the total energy of mixed crystals (Ga,Mn)As with a small concentration of various donors. We find that the formation energy of Mn depends strongly on the partial concentrations of Mn in the…

材料科学 · 物理学 2007-05-23 J. Masek , I. Turek , J. Kudrnovsky , F. Maca , V. Drchal

For the prototype diluted ferromagnetic semiconductor (Ga,Mn)As, there is a fundamental concern about the electronic states near the Fermi level, i.e., whether the Fermi level resides in a well-separated impurity band derived from Mn doping…

Considerable efforts have been devoted recently to synthesize diluted magnetic semiconductors having ferromagnetic properties at room temperature because of their technological impacts for spintronic devices. In 2001 successful growth of…

We investigate the relationship between the Curie temperature TC and the carrier density p in the ferromagnetic semiconductor (Ga,Mn)As. Carrier densities are extracted from analysis of the Hall resistance at low temperatures and high…

介观与纳米尺度物理 · 物理学 2013-03-12 M. Wang , K. W. Edmonds , B. L. Gallagher , A. W. Rushforth , O. Makarovsky , A. Patanè , R. P. Campion , C. T. Foxon , V. Novak , T. Jungwirth

A brief review of theory of ferromagnetism of dilute magnetic semiconductors of the form (A,Mn)B based on the double exchange model is first given. A systematic investigation of the phenomena extending the current theory is outlined. We…

强关联电子 · 物理学 2017-02-08 A. K. Rajagopal , Mogus Mochena , P. J. Lin-Chung

After more than a decade of intensive research in the field of diluted magnetic semiconductors (DMS), the nature and origin of ferromagnetism, especially in III-V compounds is still controversial. Many questions and open issues are under…

无序系统与神经网络 · 物理学 2015-11-09 Georges Bouzerar , Richard Bouzerar

A remarkable progress towards functional ferromagnetic semiconductor materials for spintronics has been achieved in p-type (Ga,Mn)As. Robust hole-mediated ferromagnetism has, however, been observed also in other III-V hosts such as…

We develop a quantitatively predictive theory for impurity-band ferromagnetism in the low-doping regime of GaMnAs and compare with experimental measurements of a series of samples whose compositions span the transition from paramagnetic…

材料科学 · 物理学 2008-07-31 B. L. Sheu , R. C. Myers , J. -M. Tang , N. Samarth , D. D. Awschalom , P. Schiffer , M. E. Flatté

The recently reported Rutherford backscattering and particle-induced X-ray emission experiments have revealed that in low-temperature MBE grown GaMnAs a significant part of the incorporated Mn atoms occupies tetrahedral interstitial sites…

材料科学 · 物理学 2009-11-07 J. Blinowski , P. Kacman

We have grown (InyGa1-y)1-xMnxAs ferromagnetic semiconductor layers with Mn composition x up to 0.13 on InP substrates by molecular beam epitaxy. Near the lattice-matched composition, i.e., y ~ 0.53, the Curie temperature increases linearly…

材料科学 · 物理学 2009-11-07 T. Slupinski , H. Munekata , A. Oiwa

Density functional theory is used to explore the possibility of inducing impurity band ferromagnetism in monolayers of semiconducting MoS2 by introducing holes into the narrow Mo 4d band that forms the top of the valence band. A large out…

材料科学 · 物理学 2019-06-26 Yuqiang Gao , Nirmal Ganguli , Paul J. Kelly

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$_{\mathrm int}$…

材料科学 · 物理学 2007-05-23 Hua Wu , Peter Kratzer , Matthias Scheffler
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