ELECTRONIC STRUCTURES AND MAGNETISM IN Cu-DOPED ZnO MONOLAYER
2013 ◽
Vol 27
(28)
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pp. 1350204
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Keyword(s):
In this paper, the electronic structures and magnetic properties of the Cu -doped ZnO monolayer are investigated by means of first-principles methods based on density functional theory. Numerical results show that the Cu dopant can induce the half-metallic ferromagnets in the ZnO monolayer due to the strong p–d coupling. In addition, the semiconductor band gap is also decreased when Zn atom is substituted by Cu atom in the ZnO monolayer. Moreover, the formation energy calculations also indicate that it is energy favorable and relatively easier to incorporate Cu atom into the ZnO monolayer under Zn -rich experimental conditions.
2013 ◽
Vol 721
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pp. 308-311
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2014 ◽
Vol 665
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pp. 124-127
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2017 ◽
Vol 19
(5)
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pp. 3679-3687
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2016 ◽
Vol 5
(4)
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2014 ◽
Vol 1015
◽
pp. 377-380
2016 ◽
Vol 43
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pp. 23-28
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Keyword(s):
2017 ◽
Vol 19
(23)
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pp. 15021-15029
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2017 ◽
Vol 31
(03)
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pp. 1750017
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2018 ◽
Vol 32
(14)
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pp. 1850178
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