在YBiBi中拓相变和可调的表面状态
Ramesh Kumar1, Mukhtiyar Singh1
1Department of Applied Physics, Delhi Technological University, New Delhi 110042, India.
概括
伊单 (YBi) 是一个在环境压力下微不足道的半金属. 施加压力或表轴应变可以诱导拓相变,使YBi成为研究极大磁阻和拓学之间的联系的有希望的材料.
科学领域:
- 凝聚物质物理学 凝聚物质物理学
- 材料科学 材料科学 材料科学
- 量子材料是一种量子材料.
背景情况:
- 非磁性稀土单晶体具有极大的磁电阻 (XMR) 和拓性质.
- 伊单 (YBi) 显示XMR高达10^5%,但其拓特征需要进一步研究.
研究的目的:
- 通过混合密度函数理论来研究YBi的结构,电子和拓性质.
- 为了澄清YBi的拓性质,并确定拓相变的条件.
主要方法:
- 混合密度函数理论计算.
- 分析结构,电子带结构和表面带结构.
- 计算Z2拓不变数,使用等价值和Wannier电荷中心的乘积.
主要成果:
- 在环境压力下,YBi是一个拓上微不足道的半金属.
- 从微不足道到非微不足道的拓相过渡发生在6.5 GPa的体积压和3%的表轴应变时.
- 这些过渡发生在YBi (24.5GPa) 的结构相位过渡压下.
- 非微不足道的状态的特点是Y-d和Bi-p波段之间的波段反转在Gamma和X点.
结论:
- 通过中等压力或表轴应变,可以将YBi调整为拓性的非微不足道阶段.
- 能够以小的表轴应变达到非微不足道的阶段的能力使YBi电影成为探索XMR和拓学之间的关系的理想选择.
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