Interfacial properties of Hg2CuTi-type Heusler alloy Ti2NiAl/GaAs(100) heterojunction

6th Annual International Conference on Material Science and Engineering

Zhang, Yuanqiang^1 ; Yang, Lu^1 ; Yang, Xiude^1

School of Physics and Electronic Science, Zunyi Normal College, Zunyi

563002, China^1

关键词: Density of state;    First principle calculations;    Half-metallicity;    Heusler alloys;    Interfacial property;   

Others  :  https://iopscience.iop.org/article/10.1088/1757-899X/397/1/012058/pdf
DOI  :  10.1088/1757-899X/397/1/012058

来源: IOP

【 摘 要 】

For Hg2CuTi-type Inverse-Heusler alloy Ti2NiAl/GaAs(100) tunnel heterojunction, the 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 seriously destroy the structural half-metallicity and lead to the spin polarization less than 60%. Among all of calculational hetero-structures, only the heterojunction with TA-ATII structure still retains nearly 60% spin polarization, which is expected for further application in Tunnel Magneto resistance (TMR) devices.