First-principles study on electronic and optical properties of Zn-substituted CuGaSe2
The effects of Zn atoms on the electronic and optical properties of CuGaSe2 have been investigated by the first-principles calculations. In this work, we discuss three possible substitution ways for Cu and Ga atoms of CuGaSe2 substituted by Zn atoms. First, we estimate the formation energies of Zn-s...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2021-01-01
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| Series: | Results in Physics |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211379720321847 |