The electronic properties of ultra-narrow armchair MoS2 nanoribbons

Author

Zheng Xin ; Lang Zeng ; Ziqing Lu ; Yi Hou ; Lifeng Liu ; Jinfeng Kang ; Gang Du ; Xiaoyan Liu

Author_Institution

Inst. of Microelectron., Peking Univ., Beijing, China

fYear

2013

fDate

3-5 June 2013

Firstpage

1

Lastpage

2

Abstract

Single-layer ultra-narrow MoS₂ armchair nano-ribbons (AMoS₂NRs) are studied by density functional theory (DFT) in this paper. The width of AMoS₂NRs is classified by the number of dimer lines (N) across the ribbons. Ultra-narrow bare AMoS₂NRs with N=4, 5, 6 and 7 are indirect band gap semiconductors, different from cases where AMoS₂NRs with N>7 and N=3. The reason is ascribed to the different ratio of states provided by d-orbitals of Mo atoms to states by p-orbitals of S atoms for AMoS₂NRs with different widths. After passivation of edge atoms by hydrogen, most AMoS₂NRs become direct band gap semiconductors except for AMoS₂NR with N=4.

Keywords

density functional theory; molybdenum compounds; nanoribbons; orbital calculations; passivation; semiconductor materials; AMoS₂NR width; DFT; Mo atom d-orbitals; MoS₂; S atom p-orbitals; density functional theory; dimer lines; edge atom passivation; electronic properties; indirect band gap semiconductors; states ratio; ultranarrow MoS₂ armchair nanoribbons; ultranarrow armchair MoS₂ nanoribbons; ultranarrow bare AMoS₂NR; Correlation; Logic gates; MOSFET; Photonic band gap; armchair MoS2 Nano-ribbons (AMoS2NRs); d-orbitals; indirect band gap; p-orbitals; passivation;

fLanguage

English

Publisher

ieee

Conference_Titel

Electron Devices and Solid-State Circuits (EDSSC), 2013 IEEE International Conference of

Conference_Location

Hong Kong

Type

conf

DOI

10.1109/EDSSC.2013.6628053

Filename

6628053