Empirical linear combination of atomic orbitals(LCAO)calculations are performed to investigate the electronic structure of Sb_(2)Se_(3),Sb_(2)Te_(3),In_(2)Se_(3) and In_(2)Te_(3).The bands of bonding p states are over...Empirical linear combination of atomic orbitals(LCAO)calculations are performed to investigate the electronic structure of Sb_(2)Se_(3),Sb_(2)Te_(3),In_(2)Se_(3) and In_(2)Te_(3).The bands of bonding p states are overlapped with the bands of lone pair states in these materials.The absorption edges of these materials correspond to indirect gap,and the calculation agrees with experimental values.展开更多
文摘Empirical linear combination of atomic orbitals(LCAO)calculations are performed to investigate the electronic structure of Sb_(2)Se_(3),Sb_(2)Te_(3),In_(2)Se_(3) and In_(2)Te_(3).The bands of bonding p states are overlapped with the bands of lone pair states in these materials.The absorption edges of these materials correspond to indirect gap,and the calculation agrees with experimental values.
