4.5 Article

Theoretical investigations of LaOFePn (Pn = P, As and Sb)

Journal

PHYSICA B-CONDENSED MATTER
Volume 404, Issue 19, Pages 3242-3245

Publisher

ELSEVIER
DOI: 10.1016/j.physb.2009.07.099

Keywords

Superconductivity; Density functional theory

Funding

  1. National Science Foundation of China [10774148]
  2. Major State Basic Research Project of China (973) [2007CB925004]
  3. Chinese Academy of Sciences
  4. CASHIPS

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The electronic and magnetic properties of LaOFePn (Pn = P, As and Sb) have been investigated by employing first-principles density functional theory. The results show that LaOFeSb has similar properties with LaOFeAs and LaOFeP In this kind of Fe-based layer superconductivity, the arrangement of Fe spins is determined by the superexchange and direct exchange collectively. (C) 2009 Elsevier B.V. All rights reserved.

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