Electronic structure of Ag8GeS6

Electronic structure of Ag8GeS6

For the first time, the energy band structure, total and partial densities of states of Ag8GeS6 crystal were calculated using the ab initio density functional method in LDA and LDA+U approximations. Argyrodite is direct-gap semiconductor with the calculated band gap width Egd = 1.46 eV in the LDA+U...

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Bibliographic Details
Main Authors: D.I. Bletskan, I.P. Studenyak, V.V. Vakulchak, A.V. Lukach
Format: Article
Language:English
Published: National Academy of Sciences of Ukraine. Institute of Semi conductor physics. 2017-04-01
Series:Semiconductor Physics, Quantum Electronics & Optoelectronics
Subjects:
argyrodite
electronic structure
density of states
density functional theory
spatial distribution of valence charge
chemical bond
Online Access:http://journal-spqeo.org.ua/n1_2017/P019-025abstr.html

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http://journal-spqeo.org.ua/n1_2017/P019-025abstr.html

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