DFT results for 216-atom cell containing B impurity

Acceptor impurities in semiconductors bind a hole from the valence band at low temperatures; at higher temperatures, the hole becomes mobile and contributes to the the...半导体中的受主杂质（Acceptor impurities）在低温条件下会从价带（valence band）中束缚一个空穴（hole）；当温度升高时，该空穴将获得迁移能力，并对……作出贡献。