- 必威体育下载

姓名
邮箱
手机号码
标题
留言内容
验证码

Abstract

We study the electronic properties of Cr- and W-doped single-layer MoS2 using an ab initio method according to the density functional theory. Our calculated results show the energy band structures of MoS2 are significantly affected by Cr doping, but not by W doping at a high doping concentration. The effects of Cr doping manifest as the transition of energy band structure from direct to indirect, and the decrease of band gap. Our further analysis reveals that strain is the direct reason for the change of electronic structure in the Cr-doped MoS2.

Keywords:

Authors and contacts

1.
Funds:Project supported by the National Natural Science Foundation of China (Grant No. 10904054), Jiangxi Natural Science Foundation, China (Grant Nos. 2009GQW008, 2010GZW0028), Key Laboratory of Photoelectronics and Telecomm-Unication of Jiangxi Province, China (Jiangxi Normal University) and Cultivating Youths of Outstanding Ability in Jiangxi Normal University, China.

References

[1]
[2]
[3]
[4]
[5]
[6]
[7]
[8]
[9]
[10]
[11]
[12]
[13]
[14]
[15]
[16]
[17]
[18]
[19]
[20]
[21]
[22]
[23]
[24]
[25]
[26]
[27]
[28]
[29]
[30]
[31]
[32]

Cited By

[1]
[2]
[3]
[4]
[5]
[6]
[7]
[8]
[9]
[10]
[11]
[12]
[13]
[14]
[15]
[16]
[17]
[18]
[19]
[20]
[21]
[22]
[23]
[24]
[25]
[26]
[27]
[28]
[29]
[30]
[31]
[32]

[1]	Liu Kai-Long, Peng Dong-Sheng.Effects of photoelectric properties of monolayer MoS₂under tensile strain. Acta Physica Sinica, 2021, 70(21): 217101.doi:10.7498/aps.70.20210816
[2]	Chen Guo-Xiang, Fan Xiao-Bo, Li Si-Qi, Zhang Jian-Min.First-principles study of magnetic properties of alkali metals and alkaline earth metals doped two-dimensional GaN materials. Acta Physica Sinica, 2019, 68(23): 237303.doi:10.7498/aps.68.20191246
[3]	Ding Chao, Li Wei^1\2\3, Liu Ju-Yan, Wang Lin-Lin, Cai Yun, Pan Pei-Feng.First principle study of electronic structure of Sb, S Co-doped SnO2. Acta Physica Sinica, 2018, 67(21): 213102.doi:10.7498/aps.67.20181228
[4]	Zhang Xin-Cheng, Liao Wen-Hu, Zuo Min.Electronic structure and spin/valley transport properties of monolayer MoS2 under the irradiation of the off-resonant circularly polarized light. Acta Physica Sinica, 2018, 67(10): 107101.doi:10.7498/aps.67.20180213
[5]	Qi Yu-Min, Chen Heng-Li, Jin Peng, Lu Hong-Yan, Cui Chun-Xiang.First-principles study of electronic structures and optical properties of Mn and Cu doped potassium hexatitanate (K2Ti6O13). Acta Physica Sinica, 2018, 67(6): 067101.doi:10.7498/aps.67.20172356
[6]	Tao Peng-Cheng, Huang Yan, Zhou Xiao-Hao, Chen Xiao-Shuang, Lu Wei.First principles investigation of the tuning in metal-MoS2 interface induced by doping. Acta Physica Sinica, 2017, 66(11): 118201.doi:10.7498/aps.66.118201
[7]	Jia Ming-Zhen, Wang Hong-Yan, Chen Yuan-Zheng, Ma Cun-Liang, Wang Hui.First-principles study of electronic structures and electrochemical properties for Al, Fe and Mg doped Li2MnSiO4. Acta Physica Sinica, 2015, 64(8): 087101.doi:10.7498/aps.64.087101
[8]	Zhu Xue-Wen, Xu Li-Chun, Liu Rui-Ping, Yang Zhi, Li Xiu-Yan.N-F co-doped in titaninum dioxide nanotube of the anatase (101) surface: a first-principles study. Acta Physica Sinica, 2015, 64(14): 147103.doi:10.7498/aps.64.147103
[9]	Xu Jing, Liang Jia-Qing, Li Hong-Ping, Li Chang-Sheng, Liu Xiao-Juan, Meng Jian.First-principles study on the electronic structure of Ti-doped NbSe2. Acta Physica Sinica, 2015, 64(20): 207101.doi:10.7498/aps.64.207101
[10]	Zhang Li-Yong, Fang Liang, Peng Xiang-Yang.Tuning the electronic property of monolayer MoS2 adsorbed on metal Au substrate: a first-principles study. Acta Physica Sinica, 2015, 64(18): 187101.doi:10.7498/aps.64.187101
[11]	Tan Xing-Yi, Wang Jia-Heng, Zhu Yi-Yi, Zuo An-You, Jin Ke-Xin.First-principles calculations of phosphorene doped with carbon, oxygen and sulfur. Acta Physica Sinica, 2014, 63(20): 207301.doi:10.7498/aps.63.207301
[12]	Liao Jian, Xie Zhao-Qi, Yuan Jian-Mei, Huang Yan-Ping, Mao Yu-Liang.First-principles study of 3d transition metal Co doped core-shell silicon nanowires. Acta Physica Sinica, 2014, 63(16): 163101.doi:10.7498/aps.63.163101
[13]	Lei Tian-Min, Wu Sheng-Bao, Zhang Yu-Ming, Guo Hui, Chen De-Lin, Zhang Zhi-Yong.Effects of La, Ce and Nd doping on the electronic structure of monolayer MoS2. Acta Physica Sinica, 2014, 63(6): 067301.doi:10.7498/aps.63.067301
[14]	Zhou Ping, Wang Xin-Qiang, Zhou Mu, Xia Chuan-Hui, Shi Ling-Na, Hu Cheng-Hua.First-principles study of pressure induced phase transition, electronic structure and elastic properties of CdS. Acta Physica Sinica, 2013, 62(8): 087104.doi:10.7498/aps.62.087104
[15]	Li Hong-Lin, Zhang Zhong, Lü Ying-Bo, Huang Jin-Zhao, Zhang Ying, Liu Ru-Xi.First principles study on the electronic and optical properties of ZnO doped with rare earth. Acta Physica Sinica, 2013, 62(4): 047101.doi:10.7498/aps.62.047101
[16]	Wu Mu-Sheng, Xu Bo, Liu Gang, Ouyang Chu-Ying.The effect of strain on band structure of single-layer MoS2: an ab initio study. Acta Physica Sinica, 2012, 61(22): 227102.doi:10.7498/aps.61.227102
[17]	Wang Ying-Long, Wang Xiu-Li, Liang Wei-Hua, Guo Jian-Xin, Ding Xue-Cheng, Chu Li-Zhi, Deng Ze-Chao, Fu Guang-Sheng.First principles study of electronic and optical properties of Er-doped silicon nanoparticles with different densities. Acta Physica Sinica, 2011, 60(12): 127302.doi:10.7498/aps.60.127302
[18]	Liang Wei-Hua, Ding Xue-Cheng, Chu Li-Zhi, Deng Ze-Chao, Guo Jian-Xin, Wu Zhuan-Hua, Wang Ying-Long.First-principles study of electronic and optical properties of Ni-doped silicon nanowires. Acta Physica Sinica, 2010, 59(11): 8071-8077.doi:10.7498/aps.59.8071
[19]	Guo Jian-Yun, Zheng Guang, He Kai-Hua, Chen Jing-Zhong.First-principles study on electronic structure and optical properties of Al and Mg doped GaN. Acta Physica Sinica, 2008, 57(6): 3740-3746.doi:10.7498/aps.57.3740
[20]	Pan Zhi-Jun, Zhang Lan-Ting, Wu Jian-Sheng.A first-principle study of electronic and geometrical structures of semiconducting β-FeSi2 with doping. Acta Physica Sinica, 2005, 54(11): 5308-5313.doi:10.7498/aps.54.5308

Catalog

Vol. 62, Issue 3 - 2013-02-05

Metrics

Abstract views:8881
PDF Downloads:3292
Cited By:0

Search

Article

留言板

Abstract

Authors and contacts

References

Cited By

Catalog

Metrics

Authors

Referees

About Journal

About

Search

Article

留言板

Abstract

Authors and contacts

References

Cited By

Catalog

Metrics

Publishing process

Authors

Referees

About Journal

About