Figure - PMC

Skip to main content

An official website of the United States government

Here's how you know

Here's how you know

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.

View full-text article in PMC

. 2017 Jun 13;7:3353. doi: 10.1038/s41598-017-03507-0

Search in PMC
Search in PubMed
View in NLM Catalog
Add to search

© The Author(s) 2017

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

PMC Copyright notice

Ab initio and tight-binding calculations of pure and V-doped BiTeI. (a) Spin-resolved DFT-calculated (0001) surface band structure of pure BiTeI, projected onto the Te-terminated surface TL block. (b) The same as (a), but for the V-doped BiTeI case. The size of the circles reflects the module of the respective spin projection in each k-point. Note, that in (a) E _F is as calculated for the H-passivated slab (see Methods Section). For the clear comparison, in (b) we shift E _F to the position corresponding to the undoped case. The artificial discontinuity of the outer branches of the Rashba-split state in b (~|0.1| Å) stems from the crossing with the quantum well state localized in the subsurface TL (see Supplementary Information). (c) Tight-binding calculated surface bandstructure of V-doped BiTeI in the presence of point defect (see Text).