Electronic structure and chemical bonds in intergrowth phases of MNb4O6, where M = Ba, K

Investigations into electronic structure and chemical bonds in intergrowth phases of MNb4O6, where M = Ba, K, were performed. Correlation with electronic structure of niobium monoxide was conducted. It is shown that main changes of electronic structure when passing from NbO to MNb4O6 are determined by break of chemical bonds between oxygen atoms from NbO2 planes and niobium atoms from Nb2O layers and by formation of strong covalent bonds between niobium atoms from Nb2O plane and oxygen atoms from MO layers