Study on Electronic States of Ferromagnetic Co-based Layered Ca 2 Co 2 O 5 Oxide [铁磁态Co基层状氧化物Ca 2 Co 2 O 5 电子状态的研究]

作者：Zhang F.-P.; Du L.-Z.; Li H.; Wang C.-Y.; Qi L.; Zhang K.-S.; Tian Z.-M.; Zhang J.-X.; Hao W.-L.

来源：Journal of Synthetic Crystals, 2018, 47(11): 2322-2328.

• Electronic structure
• Ferromagnetic
• Layered oxide

The electronic states of the ferroelectric representing Ca 2 Co 2 O 5 layered oxide was studied by the plane wave as well as the pseodopotential method. The results show that the Ca 2 Co 2 O 5 layered oxide has metallic type band structure with five sub-bands; the band structure is anisotropic with more bands near Fermi level, and the bands near Fermi level exhibits belt-like distribution. The band structure of the spin up electrons is semiconductor type with indirect band gap of 0.37 eV, however the band structure of the spin down electrons is metallic. The d state electrons contribute to density of states most, the p state electrons contribute to density of state less and the s state electrons contribute to density of state the least. The electrons of Ca contribute to density of state near Fermi level the least. The d state electrons of Co contribute to density of states very much within the two sub-layers, it is important for the system electric properties. There are strong interactions between Co and O within the system. The Ca-Co-O layer contributes to the system density of state more than that of the Co-O layer.

• 单位
  合肥工业大学; 石家庄铁道大学; 河南大学