Title :
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
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;
Conference_Titel :
Electron Devices and Solid-State Circuits (EDSSC), 2013 IEEE International Conference of
Conference_Location :
Hong Kong
DOI :
10.1109/EDSSC.2013.6628053
