%0 Journal Article
%T Inverse-Heusler合金Ti2NiAl/GaAs隧道异质结的自旋极化和电磁特性<br>The spin polarization and electromagnetic properties on Inverse-Heusler alloy Ti2NiAl/GaAs tunnel heterojunction
%A 杨秀德
%A 杨璐
%A 杨昆
%A 黄海深
%A 周婷艳
%A 李平
%A 吴波
%J 原子与分子物理学报
%D 2019
%X 基于密度泛函理论的第一性原理计算，研究了Hg2CoTi型Inverse-Heusler合金Ti2NiAl和GaAs异质界面上的原子相互作用、磁性、态密度和自旋极化。结果表明：在所研究的12种异质结构（包括顶位和桥位连接）中，界面态的存在不同程度地破坏了合金的半金属性，导致不超过75%的自旋极化率发生；仅当Heusler合金TiAl端面的Al原子或者TiNi端面的Ti原子位于As原子的顶位时，合金异质结可以保留着约72%的自旋极化率，根据Julliere模型，能最大实现68.9%的自旋电子迁移率，有望在隧穿磁阻中实际应用。<br>For Hg2CoTi-type Inverse-Heusler alloy Ti2NiAl/GaAs tunnel heterojunction, the interaction, magnetism, density of states and spin polarization of atoms at the interface were investigated systematically based on the first-principle calculation within the density functional theory (DFT). The calculated results reveal that the interface states destroy the structural half-metallicity in different levels and lead to the spin polarization less than 75%. Among all the 12 hetero-structures combined by top (T) and bridge（B）sites, only when alloy Al atom in TiAl terminal face or Ti atom in TiNi terminal face locates at the top site of As atom, the hetero-junction can still retain around 72% of spin polarization and achieve the maximum spin-electron mobility of 68.9% according to the Julliere model, which are expected for further application in Tunnel Magneto Resistance (TMR).
%K Heusler合金 Ti2NiAl/GaAs异质结 磁性 半金属性&lt
%K br&gt
%K Inverse-Heusler alloy Ti2NiAl/GaAs heterojunction magnetism half-metallicity
%U http://jamp.ijournals.cn/jamp/ch/reader/view_abstract.aspx?file_no=18135&flag=1