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Физика и техника полупроводников, 2014, том 48, выпуск 11, страницы 1447–1457
(Mi phts7736)
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Эта публикация цитируется в 47 научных статьях (всего в 47 статьях)
Электронные свойства полупроводников
A DFT study of BeX (X = S, Se, Te) semiconductor: modified Becke Johnson (mBJ) potential
D. P. Raiab, M. P. Ghimirec, R. K. Thapab a Beijing Computational Science Research Center,
Beijing 100084, People’s Republic of China
b Dept. of Physics, Mizoram University, Aizawl, India-796004
c MANA, National Institute for Material Sciences,
Tsukuba, Japan
Аннотация:
The electronic, optical and elastic properties of BeX were performed within full potential liberalized augmented plane wave method based on density functional theory (DFT). Generalized gradient approximation (GGA) and modified Becke Johnson (TB-mBJ) potential were used for exchange correlation. The mBJ gives improved band gap as compare to GGA and in close agreement with the experimental results. The present band gaps of BeS, BeSe and BeTe calculated within mBJ are 4.40, 4.0 and 2.40 eV respectively.
Поступила в редакцию: 25.02.2014 Принята в печать: 11.03.2014
Образец цитирования:
D. P. Rai, M. P. Ghimire, R. K. Thapa, “A DFT study of BeX (X = S, Se, Te) semiconductor: modified Becke Johnson (mBJ) potential”, Физика и техника полупроводников, 48:11 (2014), 1447–1457; Semiconductors, 48:11 (2014), 1411–1422
Образцы ссылок на эту страницу:
https://www.mathnet.ru/rus/phts7736 https://www.mathnet.ru/rus/phts/v48/i11/p1447
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