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 生物化学 功能分析 基因
作者
Maia G. Vergniory,Luis Elcoro,Claudia Felser,Nicolas Regnault,B. Andrei Bernevig,Zhijun Wang
出处
期刊:Nature [Springer Nature]
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."

科研通智能强力驱动
Strongly Powered by AbleSci AI
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
刚刚
刚刚
刚刚
刚刚
亦晴发布了新的文献求助20
刚刚
刚刚
1秒前
希望天下0贩的0应助棠棠采纳,获得10
1秒前
1秒前
身为风帆发布了新的文献求助10
1秒前
Zh发布了新的文献求助20
2秒前
SJR发布了新的文献求助10
2秒前
2秒前
petrichor发布了新的文献求助10
2秒前
难过衬衫发布了新的文献求助10
2秒前
3秒前
3秒前
jessie完成签到,获得积分10
3秒前
螃蟹完成签到,获得积分10
3秒前
xukaixuan001发布了新的文献求助10
4秒前
畅快的道之完成签到,获得积分10
4秒前
pms发布了新的文献求助10
4秒前
Skilixta完成签到,获得积分10
4秒前
司徒迎曼发布了新的文献求助10
5秒前
5秒前
Carol发布了新的文献求助10
5秒前
5秒前
科盲TCB发布了新的文献求助10
6秒前
小苹果汤完成签到,获得积分10
6秒前
6秒前
杨wx发布了新的文献求助50
6秒前
量子星尘发布了新的文献求助10
6秒前
张欣宇发布了新的文献求助10
6秒前
7秒前
会魔法的喵完成签到,获得积分10
7秒前
阿泽发布了新的文献求助10
7秒前
上官若男应助doctorw采纳,获得10
7秒前
乐乐应助小子采纳,获得10
8秒前
钟少应助misa采纳,获得10
8秒前
酷波er应助伤心的大亩猪采纳,获得10
8秒前
高分求助中
2025-2031全球及中国金刚石触媒粉行业研究及十五五规划分析报告 12000
(应助此贴封号)【重要!!请各用户(尤其是新用户)详细阅读】【科研通的精品贴汇总】 10000
The Cambridge History of China: Volume 4, Sui and T'ang China, 589–906 AD, Part Two 1000
The Composition and Relative Chronology of Dynasties 16 and 17 in Egypt 1000
Russian Foreign Policy: Change and Continuity 800
Qualitative Data Analysis with NVivo By Jenine Beekhuyzen, Pat Bazeley · 2024 800
Translanguaging in Action in English-Medium Classrooms: A Resource Book for Teachers 700
热门求助领域 (近24小时)
化学 材料科学 生物 医学 工程类 计算机科学 有机化学 物理 生物化学 纳米技术 复合材料 内科学 化学工程 人工智能 催化作用 遗传学 数学 基因 量子力学 物理化学
热门帖子
关注 科研通微信公众号,转发送积分 5693319
求助须知:如何正确求助?哪些是违规求助? 5092294
关于积分的说明 15211264
捐赠科研通 4850295
什么是DOI,文献DOI怎么找? 2601689
邀请新用户注册赠送积分活动 1553480
关于科研通互助平台的介绍 1511450