Surface electronic structure of bismuth oxychalcogenides

被引：25

作者：

Eremeev, S., V ^{[1
,2
,3
]}

Koroteev, Y. M. ^{[1
,2
,3
]}

Chulkov, E., V ^{[2
,3
,4
,5
,6
,7
]}

机构：

[1] Inst Strength Phys & Mat Sci, Tomsk 634055, Russia

[2] Tomsk State Univ, Lab Nanostruct Surfaces & Coatings, Tomsk 634050, Russia

[3] St Petersburg State Univ, Lab Elect & Spin Struct Nanosyst, St Petersburg 198504, Russia

[4] Univ Basque Country, CSIC, Ctr Fis Mat MPC, San Sebastian 20018, Spain

[5] Univ Basque Country, CSIC, Ctr Mixto, San Sebastian 20018, Spain

[6] Donostia Int Phys Ctr, San Sebastian 20018, Spain

[7] Univ Basque Country, Fac Ciencias Quim, Dept Fis Mat, Apartado 1072, San Sebastian 20080, Spain

来源：

PHYSICAL REVIEW B | 2019年 / 100卷 / 11期

关键词：

SYSTEMS BI2O3/BI(2)CH'(3)/BI(2)CH''(3) CH; 3-DIMENSIONAL TOPOLOGICAL INSULATOR; CRYSTAL-STRUCTURE; THERMOELECTRIC PROPERTIES; PHASE-RELATIONS; BI2O2SE; MOBILITY; PROPERTY; SE;

D O I：

10.1103/PhysRevB.100.115417

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Within density functional theory we study the bulk band structure and surface states of bismuth oxychalcogenides Bi2O2Se and Bi2O2Te. We consider both polar and nonpolar surface terminations. On the basis of relativistic ab initio calculations, we show that both unreconstructed (polar) and reconstructed (nonpolar) surfaces possess the Rashba spin-split surface states. The metallic Rashba-split states on polar surfaces stem from huge potential bending, positive or negative, depending on surface polarity. On the nonpolar surfaces resulting from single-crystal cleavage the emerging Rashba-split states are nonmetallic.

引用

页数：10

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