使用对称性指标进行拓材料的全面搜索
Feng Tang1,2, Hoi Chun Po3,4, Ashvin Vishwanath3
1National Laboratory of Solid State Microstructures and School of Physics, Nanjing University, Nanjing, China.
Nature
|March 1, 2019
概括
研究人员使用对称性指标发现了成千上万种新的拓材料. 这一突破扩大了下一代电子设备的拓绝缘体和半金属的潜力.
科学领域:
- 凝聚物质物理学
- 材料科学
- 固态物理
背景情况:
- 由于带拓,拓材料表现出独特的电子性质,导致强大的表面状态.
- 拓材料的实验实现和应用受到微不足道的费米表面状态的干扰.
研究的目的:
- 在所有非磁性化合物中系统地识别新型拓材料.
- 提供候选拓绝缘体,晶体绝缘体和半金属的综合数据库.
主要方法:
- 适用于非磁性化合物的所有230个空间组的对称性指标方法.
- 数据库搜索和分析电子带结构以确定拓性质.
主要成果:
- 数以千计的候选拓材料的识别
- 发现了241个拓绝缘体和142个具有最小化微不足道费米口袋的拓晶体绝缘体.
- 692种具有费米水平带交叉的拓半金属的目录.
结论:
- 已识别的候选材料显著扩大了探索拓现象的资源.
- 这些材料为先进电子设备的实际应用铺平了道路.
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