| Electronic structures of Heusler alloy Co2FeAl1-xSix surface |
| |
| 作者单位： | State Key Laboratory for Advanced Metals and Materials, School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083, China |
| |
| 基金项目： | supported by the National Natural Science Foundation of China (Nos. 50831002,50971025, 51071022, and 11174031);Beijing Natural Science Foundation (No. 2102032);Program for Changjiang Scholars and Innovative Research Team in University, Beijing Nova Program (No. 2011031);the National Basic Research Program of China (No. 2012CB932702) |
| |
| 摘 要： | We have calculated the electronic structures of Co2FeAl1-xSix(101) surface using first-principles method based on the density functional theory. Because of the surface effect, the minority spin band gap at the Fermi level disappears at the surface of bulk Co2FeAl1-xSix. However, beneath the surface, the minority spin gap opens at the Fermi level, which indicates that the electronic structures of Co2FeAl1-xSix(101) be-come close to that of bulk phase. Accordingly, the Co2FeAl1-xSix(101) surface is a composite tri-layer structure that corresponds to the weakening of half-metallic property in Co2FeAl1-xSix films. Even though, the spin polarization of Co2FeAl1-xSix(101) surface is still larger than that of Co2FeAl or Co2FeSi materials, making Co2FeAl1-xSix a promising spintronics material.
|
| 关 键 词： | first-principles calculations half-metal surface effect |
| 本文献已被 CNKI 维普 万方数据 SpringerLink 等数据库收录！ |
|
