Electronic structure of GaN codoped with Mn and Cr

Nandan Tandon; G. P. Das; Anjali Kshirsagar

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Electronic structure of GaN codoped with Mn and Cr

机译：Mn和Cr共掺杂的GaN的电子结构

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We have studied the spin-polarized electronic structure of GaN codoped with transition metal (TM) atoms Mn and Cr, with different possible geometrical sites for the dopants, to determine the most favored geometry. The variations in the band structure, density of states, and TM site magnetic moment are analyzed for these geometries. Parallel and antiparallel spin configurations are energetically compared for all the geometries and it is observed that the parallel spin configuration with near neighbor substitution of TM atoms is the most favorable. Our results indicate that Ga(MnCr)N is a prospective candidate as a spintronics material to work at room temperature.

机译：我们研究了掺有过渡金属（TM）原子Mn和Cr的GaN的自旋极化电子结构，其中掺杂剂的几何位置可能不同，以确定最有利的几何形状。对于这些几何形状，分析了带结构，状态密度和TM站点磁矩的变化。在能量上比较了所有几何结构的平行和反平行自旋构型，并且观察到具有TM原子的近邻取代的平行自旋构型是最有利的。我们的结果表明，Ga（MnCr）N是一种可在室温下工作的自旋电子学材料。

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《Physical review》 |2008年第20期|373-380|共8页
作者
Nandan Tandon; G. P. Das; Anjali Kshirsagar;
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electron density of states and band structure of crystalline solids; Ⅲ-Ⅴ semiconductors; magnetic semiconductors;

机译：态固体的电子态密度和能带结构;Ⅲ-Ⅴ族半导体;磁性半导体;

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1. ELECTRONIC AND MAGNETIC PROPERTIES OF (Mn, C)-CODOPED GaN [J] . GANG LIU, BIN HOU, RU ZHANG, Modern Physics Letters, B. Condensed Matter Physics, Statistical Physics, Applied Physics . 2014,第3期

机译：（Mn，C）掺杂的GaN的电子和磁性
2. Electronic Structure and Visible-Light Absorption of Transition Metals (TM=Cr,Mn, Fe, Co) and Zn-Codoped SrTiO3: a First-Principles Study [J] . Yue-Qin Wang, Yin Liu, Ming-Xu Zhang, 中国物理快报：英文版 . 2018,第001期

机译：过渡金属（TM = Cr，Mn，Fe，Co）和Zn掺杂的SrTiO3的电子结构和可见光吸收：第一性原理研究
3. Energetics and electronic structure of GaN codoped with Eu and Si [J] . A. Vallan Bruno Cruz, Prashant P. Shinde, Vrjay Kumar, Physical review . 2012,第4期

机译：Eu和Si共掺杂的GaN的能级和电子结构
4. Calculation of the electronic structure of the Mott insulator NiO, LaMnO_3 and of GaN:Mn [C] . R. J. Radwanski, Z. Ropka Joint European Magnetic Symposia . 2010

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Electronic structure of GaN codoped with Mn and Cr

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