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Related papers: Half-Metallic Ferrimagnetism in Mn_2VAl

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The electronic structure and equilibrium geometry of La2/3Sr1/3MnO3 are studied theoretically by means of density functional calculations. The doping is treated by introducing holes and a compensating jellium background. The results for the…

Materials Science · Physics 2009-11-11 V. Ferrari , J. M. Pruneda , Emilio Artacho

We report on the magnetic and the electronic properties of the prototype dilute magnetic semiconductor Ga$_{1-x}$Mn$_x$As using infrared (IR) spectroscopy. Trends in the ferromagnetic transition temperature $T_C$ with respect to the IR…

We present results of a combined density functional and many-body calculations for the electronic and magnetic properties of the defect-free digital ferromagnetic heterostructures obtained by doping GaAs with Cr and Mn. While local density…

Materials Science · Physics 2016-08-14 F. Beiuşeanu , C. Horea , E. -V. Macocian , T. Jurcuţ , L. Vitos , L. Chioncel

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…

Materials Science · Physics 2020-01-07 Chuang Wang , Wenhui Wan , Yanfeng Ge , Yong-Hong Zhao , Kaicheng Zhang , Yong Liu

We have performed ab initio calculations within the density-functional theory for Ga_{1-x}Mn_xAs diluted semiconductors. Total energy results unambiguously show that a quasi-localized down-spin hole, with strong p-like character, surrounds…

Materials Science · Physics 2007-05-23 A. J. R. da Silva , A. Fazzio , R. R. dos Santos , L. E. Oliveira

An extended around mean field (AMF) functional for less localized $p$ electrons is developed to quantify the influence of electronic correlations in $\alpha$-Ga. Both the local density approximation (LDA) and generalized gradient…

Strongly Correlated Electrons · Physics 2015-06-03 Zhiyong Zhu , Xuhui Wang , Udo Schwingenschlögl

We propose and investigate the properties of a digital ferromagnetic heterostructure (DFH) consisting of a $\delta$-doped layer of Mn in Si, using \textit{ab initio} electronic-structure methods. We find that (i) ferromagnetic order of the…

Materials Science · Physics 2009-11-11 M. C. Qian , C. Y. Fong , Kai Liu , Warren E. Pickett , J. E. Pask , L. H. Yang

By using the quantum Ising chain as a test bed and treating the spin polarization along the external transverse field as the "generalized density", we examine the performance of different levels of density functional approximations parallel…

Computational Physics · Physics 2021-10-27 Jiahao Mao , Haifeng Tang , Wenhui Duan , Zheng Liu

We investigate quantum dynamics and kinetics of a 2D conductor with closed Fermi surface reconstructed by a biaxial density wave, in which electrons move along a two-dimensional periodic net of semiclassical trajectories coupled by the…

Strongly Correlated Electrons · Physics 2021-10-28 A. M. Kadigrobov , B. Keran , D. Radić

Half-metallic ferromagnets (HMF) are on one of the most promising materials in the field of spintronics due to their unique band structure consisting of one spin sub-band having metallic characteristics along with another sub-band with…

We report on a theoretical study of the electronic, optical and magneto-optical properties of digital ferromagnetic hetero-structures based on $Mn$ $\delta$--doped $GaAs$. We consider different structures corresponding to $Mn$ contents…

Materials Science · Physics 2015-02-25 Patrizia Rosa , Davide Sangalli , Giovanni Onida , Alberto Debernardi

We propose FeSb2 to be a nearly ferromagnetic small gap semiconductor, hence a direct analog of FeSi. We find that despite different compositions and crystal structures, in the local density approximation with on-site Coulomb repulsion…

Strongly Correlated Electrons · Physics 2009-09-29 A. V. Lukoyanov , V. V. Mazurenko , V. I. Anisimov , M. Sigrist , T. M. Rice

Local spin density approximation calculations are used to elucidate electronic and magnetic properties of Heusler structure Fe_2VAl. The compound is found to be a low carrier density semimetal. The Fermi surface has small hole pockets…

Materials Science · Physics 2009-10-31 D. J. Singh , I. I. Mazin

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…

Half-metallic ferromagnetism (FM) in single-crystal Ba{0.39(1)}Rb{0.61(1)}Mn2As2 below its Curie temperature TC = 103(2) K is reported. The magnetization M versus applied magnetic field H isotherm data at 1.8 K show complete polarization of…

Strongly Correlated Electrons · Physics 2015-12-08 Abhishek Pandey , D. C. Johnston

The origin of ferromagnetism in semimagnetic III-V materials is discussed. The indirect exchange interaction caused by virtual electron excitations from magnetic impurity level in the bandgap to the valence band can explain ferromagnetism…

Materials Science · Physics 2009-11-07 V. I. Litvinov , V. K. Dugaev

We investigate the behavior of three-dimensional (3D) exchange-correlation energy functional approximations of density functional theory in anisotropic systems with two-dimensional (2D) character. Using two simple models, quasi-2D electron…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 Yong-Hoon Kim , In-Ho Lee , Satyadev Nagaraja , Jean-Pierre Leburton , Randolph Q. Hood , Richard M. Martin

We reveal the nature of transport and ferromagnetic properties of the GaAs structure with the single Mn {\delta}-doped layer. To modify the properties of the structure the electrically active radiation defects are created by irradiation…

We report on electrical measurements of the effective density of states in the ferromagnetic semiconductor material (Ga,Mn)As. By analyzing the conductivity correction due to enhanced electron-electron interaction the electrical diffusion…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 D. Neumaier , M. Turek , U. Wurstbauer , A. Vogl , M. Utz , W. Wegscheider , D. Weiss

Electron correlation effects in the half-metallic ferromagnet NiMnSb are investigated within a combined density functional and many-body approach. Starting from a realistic multi-orbital Hubbard-model including Mn and Ni-d orbitals, the…

Strongly Correlated Electrons · Physics 2015-05-14 H. Allmaier , L. Chioncel , E. Arrigoni , M. I. Katsnelson , A. I. Lichtenstein