Electronic structure and chemical bond in carbides crystallizing in the Fe-W-C system |
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Authors: | A V Ilyasov A A Ryzhkin V V Ilyasov |
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Institution: | (1) Don State Technical University, Rostov-on-Don, Russia |
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Abstract: | The electronic energy structure of MC, M6C, and M12C carbide systems and iron martensite in the absence of spin polarization was studied by the local coherent potential method using the cluster version of the MT approximation in terms of multiple scattering theory. The local partial density of the electronic states of atoms in crystals was calculated and their electronic structures were compared. The peculiarities of chemical bonding in crystals are discussed. |
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Keywords: | electronic energy structure chemical bonding |
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