Abstract
Within the framework of the theory of local electronic density functional, the band structure, the density of states, and the electronic density of MNO2 (M: Na, K, Rb, Cs, Tl, and Ag) nitrites are calculated by the pseudopotential method in the basis of numerical sp 3 d 5 atomic pseudo-orbitals. The series dependence of the electronic structure parameters is examined, the role of metals in the energy band formation is established, and conclusions on the character of chemical bonds in these compounds are drawn.
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Zhuravlev, Y.N., Poplavnoi, A.S. Electronic Structure of Nitrites of Metals. Russian Physics Journal 44, 1283–1288 (2001). https://doi.org/10.1023/A:1015739929048
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DOI: https://doi.org/10.1023/A:1015739929048