First Principles Calculations of the Formation Energy of the Neutral Vacancy in Germanium
2007 ◽
Vol 131-133
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pp. 241-246
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Keyword(s):
Density functional theory (DFT) with local density approximation has been used to calculate the formation energy (EF) of the neutral vacancy in germanium single crystal. It was shown that careful checking of convergence with respect to the number of k-points is necessary when calculating the formation energy of the intrinsic point defects in Ge. The formation energy of the single neutral vacancy was estimated at 2.35 eV which is in excellent agreement with published experimental data.
2016 ◽
Vol 30
(21)
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pp. 1650147
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2007 ◽
Vol 21
(05)
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pp. 249-259
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2016 ◽
Vol 13
(10)
◽
pp. 6974-6977
2011 ◽
Vol 172-174
◽
pp. 985-989
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2015 ◽
Vol 14
(04)
◽
pp. 1550024
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2014 ◽
Vol 577
◽
pp. 102-107
2021 ◽
2010 ◽
Vol 24
(14)
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pp. 2205-2210