Charge transfer effects on the Fermi sur
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S. Nazir; Z.Y. Zhu; U. Schwingenschlögl
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Article
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2011
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John Wiley and Sons
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English
⚖ 295 KB
👁 1 views
Ab-initio calculations within density functional theory are performed to obtain a more systematic understanding of the electronic structure of iron pnictides. As a prototypical compound we study Ba0.5K0.5Fe2As2 and analyze the changes of its electronic structure when the interaction between the Fe2A