面心立方(FCC)及六方最密(HCP)結(jié)構(gòu)金屬中的差排結(jié)構(gòu)將有較詳細(xì)的描述.Dislocation structures in FCC and HCP metals are described in some detail.本文用贗勢(shì)方法計(jì)算了鉛的面心立方結(jié)構(gòu)和金剛石結(jié)構(gòu)的晶體總能,討論了兩種結(jié)構(gòu)在高壓下的穩(wěn)定性.Using pseudopotential method, we calculated the crystal energy...