Electronic Properties of Transition-Metal-Decorated Silicene
- Authors
- Lee, Youngbin; Yun, Kyung-Han; Cho, Sung Beom; Chung, Yong-Chae
- Issue Date
- Dec-2014
- Publisher
- WILEY-V C H VERLAG GMBH
- Keywords
- band gap; density functional calculations; silicene; substitution; transition metals
- Citation
- CHEMPHYSCHEM, v.15, no.18, pp.4095 - 4099
- Indexed
- SCIE
SCOPUS
- Journal Title
- CHEMPHYSCHEM
- Volume
- 15
- Number
- 18
- Start Page
- 4095
- End Page
- 4099
- URI
- https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/158508
- DOI
- 10.1002/cphc.201402613
- ISSN
- 1439-4235
- Abstract
- The electronic properties of 3d transition metal (TM)-decorated silicene were investigated by using density functional calculations in an attempt to replace graphene in electronic applications, owing to its better compatibility with Si-based technology. Among the ten types of TM-doped silicene (TM-silicene) studied, Ti-, Ni-, and Zn-doped silicene became semiconductors, whereas Co and Cu doping changed the substrate to a half-metallic material. Interestingly, in cases of Ti- and Cu-doped silicene, the measured band gaps turned out to be significantly larger than the previously reported band gap in silicene. The observed band-gap openings at the Fermi level were induced by breaking the sublattice symmetry caused by two structural changes, that is, the Jahn-Teller distortion and protrusion of the TM atom. The present calculation of the band gap in TM-silicene suggests useful guidance for future experiments to fabricate various silicene-based applications such as a field-effect transistor, single-spin electron source, and nonvolatile magnetic random-access memory.
- Files in This Item
-
Go to Link
- Appears in
Collections - 서울 공과대학 > 서울 신소재공학부 > 1. Journal Articles
![qrcode](https://api.qrserver.com/v1/create-qr-code/?size=55x55&data=https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/158508)
Items in ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.