Title :
Ab-initio study of doping versus adsorption in monolayer M0S2
Author :
Rastogi, Priyank ; Kumar, Sanjay ; Bhowmick, Somnath ; Agarwal, Amit ; Chauhan, Yogesh Singh
Author_Institution :
Dept. of Electr. Eng., Indian Inst. of Technol. Kanpur, Kanpur, India
Abstract :
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.
Keywords :
ab initio calculations; adsorption; bromine; density functional theory; electrical conductivity; energy gap; impurities; molybdenum compounds; monolayers; niobium; potassium; semiconductor doping; Br; K; MoS2; Nb; ab-initio density functional theory calculation; band gap; device doping; doping versus adsorption; electrical conductivity; impurity adsorption; mid-gap states; monolayers; n-type materials; p-type materials; substitutional doping; trap levels; Adsorption; Atomic layer deposition; Doping; Logic gates; Niobium; Photonic band gap; 2D layers; DFT; LDA; TMD;
Conference_Titel :
Emerging Electronics (ICEE), 2014 IEEE 2nd International Conference on
Print_ISBN :
978-1-4673-6527-7
DOI :
10.1109/ICEmElec.2014.7151215
