Rocksalt SnS and SnSe: Native topological crystalline insulators

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	Rocksalt SnS and SnSe: Native topological crystalline insulators
	Y. Sun; Z. C. Zhong; T. Shirakawa; C. Franchini; D. Z. Li; Y. Y. Li; S. Yunoki; X. Q. Chen
	2013
发表期刊	Physical Review B
ISSN	1098-0121
卷号	88 期号:23
摘要	Unlike time-reversal topological insulators, surface metallic states with Dirac cone dispersion in the recently discovered topological crystalline insulators (TCIs) are protected by crystal symmetry. To date, TCI behaviors have been observed in SnTe and the related alloys Pb1-xSnx Se/Te, which incorporate heavy elements with large spin-orbit coupling (SOC). Here, by combining first-principles and ab initio tight-binding calculations, we report the formation of a TCI in relatively lighter rocksalt SnS and SnSe. This TCI is characterized by an even number of Dirac cones at the high-symmetry (001), (110), and (111) surfaces, which are protected by the reflection symmetry with respect to the ((1) over bar 10) mirror plane. We find that both SnS and SnSe have an intrinsically inverted band structure even without the SOC and the SOC is necessary only to open the bulk band gap. The bulk band gap evolution upon volume expansion reveals a topological transition from an ambient pressure TCI to a topologically trivial insulator. Our results indicate that the SOC alone is not sufficient to drive the topological transition.
部门归属	[sun, yan ; li, dianzhong ; li, yiyi ; chen, xing-qiu] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. [sun, yan ; shirakawa, tomonori ; yunoki, seiji] riken, computat condensed matter phys lab, wako, saitama 3510198, japan. [sun, yan ; franchini, cesare] univ vienna, fac phys, a-1090 vienna, austria. [zhong, zhicheng] vienna univ technol, inst solid state phys, a-1040 vienna, austria. [shirakawa, tomonori ; yunoki, seiji] japan sci & technol agcy jst, crest, kawaguchi, saitama 3320012, japan. [shirakawa, tomonori ; yunoki, seiji] riken adv inst computat sci aics, computat mat sci res team, kobe, hyogo 6500047, japan. [yunoki, seiji] riken ctr emergent matter sci cems, computat quantum matter res team, wako, saitama 3510198, japan. ; chen, xq (reprint author), chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. ; xingqiu.chen@imr.ac.cn
关键词	Single Dirac Cone Wannier Functions Phase-transition Snte Parameters Surface Metals
URL	查看原文
语种	英语
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/72412
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. Sun,Z. C. Zhong,T. Shirakawa,et al. Rocksalt SnS and SnSe: Native topological crystalline insulators[J]. Physical Review B,2013,88(23).
APA	Y. Sun.,Z. C. Zhong.,T. Shirakawa.,C. Franchini.,D. Z. Li.,...&X. Q. Chen.(2013).Rocksalt SnS and SnSe: Native topological crystalline insulators.Physical Review B,88(23).
MLA	Y. Sun,et al."Rocksalt SnS and SnSe: Native topological crystalline insulators".Physical Review B 88.23(2013).