Properties of KCo2As2 and alloys with Fe and Ru: density functional calculations

Journal Article · Thu Jan 01 00:00:00 EST 2009 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.79.174520· OSTI ID:968288

Singh, David J ^[1]

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1. ORNL

Electronic-structure calculations are presented for KCo{sub 2}As{sub 2} and alloys with KFe{sub 2}As{sub 2} and KRu{sub 2}As{sub 2}. These materials show electronic structures characteristic of coherent alloys with a similar Fermi surface structure to that of the Fe-based superconductors when the d-electron count is near 6 per transition metal. However, they are less magnetic than the corresponding Fe compounds. These results are discussed in relation to superconductivity.

• Research Organization: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
• Sponsoring Organization: USDOE
• DOE Contract Number: DE-AC05-00OR22725
• OSTI ID: 968288
• Journal Information: Physical Review B, Vol. 79, Issue 17; ISSN 1098-0121
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ELECTRONIC STRUCTURE
FERMI LEVEL
DENSITY FUNCTIONAL METHOD
SUPERCONDUCTIVITY
COBALT ARSENIDES
POTASSIUM COMPOUNDS
ARSENIDES
IRON ARSENIDES
RUTHENIUM ARSENIDES
MAGNETIC PROPERTIES