Exploring correlation effects and volume collapse during electride dimensionality change in Ca2N

Physical Chemistry Chemical Physics(2023)

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摘要
Correlation effects on the interstitial electronic states of Ca2N electride make a significant contribution to the metal-semiconductor transition and the resulting volume collapse, as the dimensionality of the space housing excess electrons reducess.
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关键词
electride dimensionality change,correlation effects,volume collapse
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