Ab-initio Study of Doping versus Adsorption in Monolayer MoS2

被引：0

作者：

Rastogi, Priyank ^{[1
]}

Kumar, Sanjay ^{[1
]}

Bhowmick, Somnath ^{[2
]}

Agarwal, Amit ^{[3
]}

Chauhan, Yogesh Singh ^{[1
]}

机构：

[1] Indian Inst Technol Kanpur, Dept Elect Engn, Kanpur, Uttar Pradesh, India

[2] Indian Inst Technol Kanpur, Dept Mat Sci & Engn, Kanpur, Uttar Pradesh, India

[3] Indian Inst Technol Kanpur, Dept Phys, Kanpur, Uttar Pradesh, India

来源：

2014 IEEE 2ND INTERNATIONAL CONFERENCE ON EMERGING ELECTRONICS (ICEE) | 2014年

关键词：

DFT; LDA; TMD; 2D layers;

D O I：

暂无

中图分类号：

TM [电工技术]; TN [电子技术、通信技术];

学科分类号：

0808 ; 0809 ;

摘要：

To modulate the conductivity of channel as well as for controlling threshold voltage of the device doping is required. Sometimes this doping can be unintentional via adsorption of impurities. We have found by ab-initio density functional theory calculations that K and Nb atoms change the system into n-type, and Br changes into p-type if adsorbed on monolayer of MoS2. Similarly Cl, V and P introduce mid-gap states/trap levels in the band gap for adsorption. In case of substitutional doping, it is found that P and Nb make monolayer MoS2 p-type if these elements replace the S atom and the Mo atom, and Cl makes it degenerate n-type if it replaces the S atom in monolayer MoS2.

引用

页数：5

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