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Non-local exchange and correlation effects on the fermi surface of lithium

✍ Scribed by M. Rasolt; S.B. Nickerson; S.H. Vosko

Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
290 KB
Volume
16
Category
Article
ISSN
0038-1098

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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