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Title: Prediction of spin-dependent electronic structure in 3d-transition-metal doped antimonene

Abstract

We investigate the geometric structure and electronic and magnetic properties of 3d-transition-metal atom doped antimonene using spin-polarized first-principles calculations. Strong orbital hybridization exhibits between 3d-transition-metal and Sb atoms, where covalent bonds form in antimonene. A spin-polarized semiconducting state appears in Cr-doped antimonene, while half-metallic states appear by doping Ti, V, and Mn. These findings indicate that once combined with doping states, the bands of antimonene systems offer a variety of features. Specific dopants lead to half-metallic characters with high spin polarization that has potential application in spintronics.

Authors:
; ;  [1];  [2]
  1. Tianjin Key Laboratory of Low Dimensional Materials Physics and Preparation Technology, Faculty of Science, Tianjin University, Tianjin 300354 (China)
  2. School of Electronics Information Engineering, Tianjin University of Technology, Tianjin 300384 (China)
Publication Date:
OSTI Identifier:
22590596
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 109; Journal Issue: 2; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ATOMS; CHEMICAL BONDS; COVALENCE; DOPED MATERIALS; ELECTRONIC STRUCTURE; FORECASTING; GEOMETRY; MAGNETIC PROPERTIES; SPIN ORIENTATION; TRANSITION ELEMENTS; TWO-DIMENSIONAL SYSTEMS

Citation Formats

Yang, L. F., Song, Y., Mi, W. B., E-mail: miwenbo@tju.edu.cn, and Wang, X. C.. Prediction of spin-dependent electronic structure in 3d-transition-metal doped antimonene. United States: N. p., 2016. Web. doi:10.1063/1.4958702.
Yang, L. F., Song, Y., Mi, W. B., E-mail: miwenbo@tju.edu.cn, & Wang, X. C.. Prediction of spin-dependent electronic structure in 3d-transition-metal doped antimonene. United States. doi:10.1063/1.4958702.
Yang, L. F., Song, Y., Mi, W. B., E-mail: miwenbo@tju.edu.cn, and Wang, X. C.. Mon . "Prediction of spin-dependent electronic structure in 3d-transition-metal doped antimonene". United States. doi:10.1063/1.4958702.
@article{osti_22590596,
title = {Prediction of spin-dependent electronic structure in 3d-transition-metal doped antimonene},
author = {Yang, L. F. and Song, Y. and Mi, W. B., E-mail: miwenbo@tju.edu.cn and Wang, X. C.},
abstractNote = {We investigate the geometric structure and electronic and magnetic properties of 3d-transition-metal atom doped antimonene using spin-polarized first-principles calculations. Strong orbital hybridization exhibits between 3d-transition-metal and Sb atoms, where covalent bonds form in antimonene. A spin-polarized semiconducting state appears in Cr-doped antimonene, while half-metallic states appear by doping Ti, V, and Mn. These findings indicate that once combined with doping states, the bands of antimonene systems offer a variety of features. Specific dopants lead to half-metallic characters with high spin polarization that has potential application in spintronics.},
doi = {10.1063/1.4958702},
journal = {Applied Physics Letters},
number = 2,
volume = 109,
place = {United States},
year = {Mon Jul 11 00:00:00 EDT 2016},
month = {Mon Jul 11 00:00:00 EDT 2016}
}