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相关论文: Ferromagnetism and metallic state in digital (Ga,M…

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MnAs/GaAs superlattices, made by $\delta$-doping GaAs with Mn, are known as digital ferromagnetic heterostructures. Here we present a theoretical density functional study of the electronic, magnetic and transport properties of such…

材料科学 · 物理学 2009-11-07 Stefano Sanvito , Nicola A. Hill

The effect of the inclusion of As antisites in the diluted magnetic semiconductor (Ga,Mn)As is studied within density functional theory in the local spin density approximation. In the case of homogeneous distribution of Mn ions we find that…

材料科学 · 物理学 2025-06-10 Stefano Sanvito , Nicola A. Hill

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…

材料科学 · 物理学 2016-08-14 F. Beiuşeanu , C. Horea , E. -V. Macocian , T. Jurcuţ , L. Vitos , L. Chioncel

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…

材料科学 · 物理学 2015-02-25 Patrizia Rosa , Davide Sangalli , Giovanni Onida , Alberto Debernardi

Ferromagnetic semiconductors promise the extension of metal-based spintronics into a material system that combines widely tunable electronic, optical, and magnetic properties. Here, we take steps towards realizing that promise by achieving…

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…

材料科学 · 物理学 2009-11-11 M. C. Qian , C. Y. Fong , Kai Liu , Warren E. Pickett , J. E. Pask , L. H. Yang

We investigate half-metallicity in [001] stacked (CrAs)$_n$/(GaAs)$_n$ heterostructures with $n \leq 3$ by means of a combined many-body and electronic structure calculation. Interface states in the presence of strong electronic…

材料科学 · 物理学 2015-05-20 L. Chioncel , I. Leonov , H. Allmaier , F. Beiuseanu , E. Arrigoni , T. Jurcut , W. Pötz

The detailed nature of electronic states mediating ferromagnetic coupling in dilute magnetic semiconductors, specifically (Ga,Mn)As, has been an issue of long debate. Two confronting models have been discussed emphasizing host band vs.…

材料科学 · 物理学 2017-03-08 J. Kanski , L. Ilver , K. Karlsson , I. Ulfat , M. Leandersson , J. Sadowski , I. Di Marco

We describe a systematic study of the synthesis, microstructure and magnetization of hybrid ferromagnet-semiconductor nanomaterials comprised of MnAs nanoclusters embedded in a p-doped GaAs matrix. These samples are created during the in…

材料科学 · 物理学 2015-03-19 D. W. Rench , P. Schiffer , N. Samarth

The properties of diluted Ga$_{1-x}$Mn$_x$As are calculated for a wide range of Mn concentrations within the local spin density approximation of density functional theory. M\"ulliken population analyses and orbital-resolved densities of…

介观与纳米尺度物理 · 物理学 2025-06-10 Stefano Sanvito , Pablo Ordejon , Nicola A. Hill

We present a study of the electronic structure and magnetism of Co$_2$MnAl, CoMnVAl and their heterostructure. We employ a combination of density-functional theory and dynamical mean-field theory (DFT+DMFT). We find that Co$_2$MnAl is a…

材料科学 · 物理学 2018-01-12 Igor Di Marco , Andreas Held , Samara Keshavarz , Yaroslav O. Kvashnin , Liviu Chioncel

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

We present a brief review of experimental and theoretical papers on studies of electron transport and magnetic properties in manganese-based compounds Mn$_2$YZ and Mn$_3$Z (Y = V, Cr, Fe, Co, Ni, etc.; Z = Al, Ge, Sn, Si, Pt, etc.). It has…

材料科学 · 物理学 2023-09-26 V. V. Marchenkov , V. Yu. Irkhin

We have investigated the magnetic properties of a GaN/Ga1-xMnxN (x = 0.1) digital ferromagnetic heterostructure (DFH) showing ferromagnetic behavior using soft x-ray absorption spectroscopy (XAS) and x-ray magnetic circular dichroism…

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

First principles total-energy pseudopotential calculations have been performed to investigate STM images of the (110) cross-sectional surface of Mn-doped GaAs. We have considered configurations with Mn in interstitial positions in the…

材料科学 · 物理学 2007-05-23 A. Stroppa

The future of spintronic and semiconductor applications demands materials with tailored electronic and magnetic properties. This study uses density functional theory to investigate the electronic structure of the half-metallic compound…

材料科学 · 物理学 2025-07-08 Sujoy Datta , Prashant Singh

Ion implantation of Mn combined with pulsed laser melting is employed to obtain two representative compounds of dilute ferromagnetic semiconductors (DFSs): Ga1-xMnxAs and In1-xMnxAs. In contrast to films deposited by the widely used…

The structural, electronic, and magnetic properties of (100)-oriented Co$_{2}$MnAl/MgO and Co$_{2}$MnAl/GaAs heterostructures are investigated using plane-wave pseudopotential density functional theory. For the Co$_{2}$MnAl/MgO, CoCo-MgMg,…

材料科学 · 物理学 2025-08-25 Amar Kumar , Mitali , Sujeet Chaudhary , Sharat Chandra

The high-spectral-resolution spectroscopic studies of the energy gap evolution, supplemented with electronic, magnetic and structural characterization, show that the modification of the GaAs valence band caused by Mn incorporation occurs…

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