First principles study on Zn doped MgO using Hubbard U correction
First principles calculations within framework of the density functional theory (DFT) have been carried out to investigate structural, electronic and optical properties of zinc doped magnesium oxide (ZnxMg1-xO) with different zinc concentration (x = 0, 0.125 and 0.25). The crystal structure used in...
| Published in: | Materials Research Express |
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| Main Author: | |
| Format: | Article |
| Language: | English |
| Published: |
Institute of Physics Publishing
2019
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| Online Access: | https://www.scopus.com/inward/record.uri?eid=2-s2.0-85070323926&doi=10.1088%2f2053-1591%2fab1200&partnerID=40&md5=c4c11045ed4d9f88497502f16354f8ee |