亲爱的研友该休息了!由于当前在线用户较少,发布求助请尽量完整地填写文献信息,科研通机器人24小时在线,伴您度过漫漫科研夜!身体可是革命的本钱,早点休息,好梦!

A complete catalogue of high-quality topological materials

拓扑绝缘体 齐次空间 对称保护拓扑序 拓扑指数 物理中的拓扑熵 拓扑(电路) 拓扑流形 拓扑空间 拓扑简并 物理 零维空间 拓扑量子数 拓扑序 拓扑向量空间 理论物理学 数学 拓扑张量积 量子力学 几何学 量子 化学 纯数学 组合数学 基因 生物化学 功能分析
作者
Maia G. Vergniory,Luis Elcoro,Claudia Felser,Nicolas Regnault,B. Andrei Bernevig,Zhijun Wang
出处
期刊:Nature [Nature Portfolio]
卷期号:566 (7745): 480-485 被引量:973
标识
DOI:10.1038/s41586-019-0954-4
摘要

"Topological Quantum Chemistry (TQC) links the chemical and symmetry structure of a given material with its topological properties. This field tabulates the data of the 10398 real-space atomic limits of materials, and solves the compatibility relations of electronic bands in momentum space. A material that is not an atomic limit or whose bands do not satisfy the compatibility relations, is a topological insulator/semimetal. We use TQC to find the topological stoichiometric non-magnetic, "high-quality'' materials in the world. We develop several code additions to VASP which can compute all characters of all symmetries at all high-symmetry points in the Brillouin Zone (BZ). Using TQC we then develop codes to check which materials in ICSD are topological. Out of 26938 stoichiometric materials in our filtered ICSD database, we find 2861 topological insulators (TI) and 2936 topological semimetals (2505 and 2560 non-f electron, respectively). Our method is uniquely capable to show that none of the TI's found exhibit fragile topology. We partition the topological materials in different physical classes. For the majority of the 5797 "high-quality'' topological material, we compute: the topological class (equivalence classes of TQC elementary band representations -- equivalent to the topological index), the symmetry(ies) that protects the topological class, the representations at high symmetry points and the direct gap (for insulators), and the topological index. For topological semimetals we then compute whether the system becomes a topological insulator (whose index/class we compute) upon breaking symmetries -- useful for experiments. 2152 more TI's are obtained in this way. For almost all 5065 non-f-electron topological materials, we provide the electronic band structures, allowing the identification of quantitative properties (gaps, velocities). Remarkably, our exhaustive results show that a large proportion ( ~ 24% !) of all materials in nature are topological (confirmed by calculations of "low-quality'' materials). We confirm the topology of several new materials by Wilson loop calculations. We added an open-source code and end-user button on the Bilbao Crystallographic Server (BCS) which checks the topology of any material. We comment on the chemistry of each compound and sample part of the "low-quality'' ICSD data to find more materials."
最长约 10秒,即可获得该文献文件

科研通智能强力驱动
Strongly Powered by AbleSci AI
更新
PDF的下载单位、IP信息已删除 (2025-6-4)

科研通是完全免费的文献互助平台,具备全网最快的应助速度,最高的求助完成率。 对每一个文献求助,科研通都将尽心尽力,给求助人一个满意的交代。
实时播报
11秒前
13秒前
14秒前
16秒前
弦和发布了新的文献求助10
18秒前
行走完成签到,获得积分10
18秒前
幸运小猫发布了新的文献求助10
19秒前
Lemon_ice发布了新的文献求助10
22秒前
弦和完成签到,获得积分10
27秒前
怕黑的小凝完成签到,获得积分10
28秒前
Lemon_ice完成签到,获得积分10
28秒前
32秒前
di发布了新的文献求助10
38秒前
54秒前
1分钟前
1分钟前
多边棱发布了新的文献求助10
1分钟前
1分钟前
Ashao完成签到 ,获得积分10
1分钟前
科研通AI6应助lzx666采纳,获得10
1分钟前
量子星尘发布了新的文献求助10
1分钟前
bkagyin应助矢思然采纳,获得10
1分钟前
所所应助多边棱采纳,获得10
2分钟前
2分钟前
FashionBoy应助科研通管家采纳,获得10
2分钟前
3分钟前
3分钟前
充电宝应助521采纳,获得10
3分钟前
4分钟前
矢思然发布了新的文献求助10
4分钟前
4分钟前
量子星尘发布了新的文献求助10
4分钟前
zyx8完成签到,获得积分10
4分钟前
我是老大应助科研通管家采纳,获得10
4分钟前
慕青应助科研通管家采纳,获得10
4分钟前
5分钟前
多边棱发布了新的文献求助10
5分钟前
5分钟前
521发布了新的文献求助10
5分钟前
慕青应助521采纳,获得10
5分钟前
高分求助中
计划经济时代的工厂管理与工人状况(1949-1966)——以郑州市国营工厂为例 500
Sociologies et cosmopolitisme méthodologique 400
Why America Can't Retrench (And How it Might) 400
Another look at Archaeopteryx as the oldest bird 390
Partial Least Squares Structural Equation Modeling (PLS-SEM) using SmartPLS 3.0 300
Two New β-Class Milbemycins from Streptomyces bingchenggensis: Fermentation, Isolation, Structure Elucidation and Biological Properties 300
Modern Britain, 1750 to the Present (第2版) 300
热门求助领域 (近24小时)
化学 材料科学 医学 生物 工程类 有机化学 生物化学 物理 纳米技术 计算机科学 内科学 化学工程 复合材料 物理化学 基因 催化作用 遗传学 冶金 电极 光电子学
热门帖子
关注 科研通微信公众号,转发送积分 4640095
求助须知:如何正确求助?哪些是违规求助? 4033001
关于积分的说明 12476416
捐赠科研通 3720541
什么是DOI,文献DOI怎么找? 2053414
邀请新用户注册赠送积分活动 1084539
科研通“疑难数据库(出版商)”最低求助积分说明 966373