Electronic charge density in PbTe

作者: Y.W. Tsang , Marvin L. Cohen

DOI: 10.1016/0038-1098(72)90210-4

关键词: Condensed matter physicsEffective nuclear chargeCore chargeValence (chemistry)Charge densityAtomic physicsPartial chargeBrillouin zoneMaterials scienceElectronic charge densityIonic potential

摘要: Abstract The electronic charge density for PbTe is computed as a function of position in the unit cell and displayed on two different planes. A rough estimate about each atom made. top valence bottom conduction bands are given L point Brillouin zone. influence L-point distribution temperature dependence fundamental gap discussed.

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