Magnetic excitation and thermodynamics of BaFe2As2

✍ Scribed by Y. Wang; S. L. Shang; L. Q. Chen; Z. K. Liu

• Book ID: 104577035
• Publisher: John Wiley and Sons
• Year: 2010
• Tongue: English
• Weight: 406 KB
• Volume: 111
• Category: Article
• ISSN: 0020-7608
• DOI: 10.1002/qua.22865

✦ Synopsis

Abstract

Magnetic excitation of the iron‐based superconductor parent compound BaFe~2~As~2~ at finite temperature are addressed with a first‐principles formulation of the Helmholtz energy, which can account for the finite temperature mixture of many magnetic configurations. We find that it is the spin exchange coupling in the interplane c direction that dictates the spin density wave ordering. We have also quantitatively predicted the pressure dependence of the spin density wave ordering temperature, the Schottky anomaly, and the temperature dependence of thermal populations of several low‐energy spin configurations, all in agreement with available experimental data. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011