低维磁性半导体和半金属材料的计算机模拟与设计
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- 英文论文题名：Low dimensional magnetic semiconductors and half metals: computational simulations and design
- 论文作者：李星星 ; 武晓君 ; 李震宇 ; 杨金龙
- 英文论文作者：Xingxing Li ; Xiaojun Wu ; Zhenyu Li ; Jinlong Yang ; Department of Chemistry and Materials Science ; University of Science and Technology of China ; Synergetic Innovation Center of Quantum Information and Quantum Physics ; University of Science and Technology of China
- 年：2016
- 作者机构：中国科学技术大学化学与材料科学学院;量子信息与量子科技前沿协同创新中心;
- 论文关键词：第一性原理 ; 低维纳米材料 ; 半金属 ; 双极磁性半导体
- 会议召开时间：2016-07-01
- 会议录名称：中国化学会第30届学术年会摘要集-第四十分会：纳米体系理论与模拟
- 语种：中文
- 分类号：TB30
- 学会代码：ZGHY
- 会议名称：中国化学会第30届学术年会-第四十分会 ; 纳米体系理论与模拟
- 会议地点：中国辽宁大连
- 主办单位：中国化学会
- 学会名称：中国化学会
- 页数：1
- 文件大小：143k
- 原文格式：D
- 会议级别：全国
摘要
自旋电子学利用电子自旋进行信息的传递、处理与存储,是解决当前信息技术瓶颈的一个重要方法。磁性半导体和半金属材料是自旋电子学的基石。为了构筑纳米尺度的自旋电子学器件,实现器件尺寸最小化和高密度集成,寻找低维的磁性半导体和半金属材料成为一个必然趋势[1]。我们基于前期提出的双极磁性半导体[2]、非对称反铁磁半导体[3]等概念,利用第一性原理计算和最近发展的晶体结构预测方法,在二维过渡金属氧族和氮族化合物体系设计了系列磁性半导体和半金属材料。同时,为使材料在室温下工作,我们要求设计出的材料具备和室温可比的磁有序温度,高自旋极化电子态,以及较宽的自旋劈裂能隙。在本报告中,我们将分享在低维磁性半导体和半金属材料理论设计方面的最新工作进展。
Spintronics, which exploits the spin of electrons for information processing, is one of the most promising next generation information technology. Magnetic semiconductors and half metals form the basis of spintronics. To construct nano-spintronic devices with high integration density and speed, developing low dimensional magnetic semiconductors and half metals becomes a recent trend. Based on our previously proposed concepts of bipolar magnetic semiconductors and asymmetric antiferromagnetic semiconductors, by combining first principles calculations with the newly developed crystal structure prediction methods, we design a series of two dimensional magnetic semiconductors and half metals in transition metal chalcogenides and pnictides nanosheets. To make these materials work under ambient conditions, they are required to possess magnetic ordering temperatures comparable to room temperature, high spin polarization and big spin splitting gaps. In this report, I will share our recent progresses on the theoretical design of low dimensional magnetic semiconductors and half metals.
Spintronics, which exploits the spin of electrons for information processing, is one of the most promising next generation information technology. Magnetic semiconductors and half metals form the basis of spintronics. To construct nano-spintronic devices with high integration density and speed, developing low dimensional magnetic semiconductors and half metals becomes a recent trend. Based on our previously proposed concepts of bipolar magnetic semiconductors and asymmetric antiferromagnetic semiconductors, by combining first principles calculations with the newly developed crystal structure prediction methods, we design a series of two dimensional magnetic semiconductors and half metals in transition metal chalcogenides and pnictides nanosheets. To make these materials work under ambient conditions, they are required to possess magnetic ordering temperatures comparable to room temperature, high spin polarization and big spin splitting gaps. In this report, I will share our recent progresses on the theoretical design of low dimensional magnetic semiconductors and half metals.
引文
[1]Li,X.;Yang,J.Natl.Sci.Rev.,2016,accepted.
[2]Li,X.;Wu,X.;Li,Z.;Yang,J.;Hou,J.G.Nanoscale,2012,4:5680.
[3]Li,X.;Wu,X.;Li,Z.;Yang,J.Phys.Rev.B,2015,92:125202.
[2]Li,X.;Wu,X.;Li,Z.;Yang,J.;Hou,J.G.Nanoscale,2012,4:5680.
[3]Li,X.;Wu,X.;Li,Z.;Yang,J.Phys.Rev.B,2015,92:125202.