Charge-density study on layered oxyarsenides (LaO)MAs (M = Mn, Fe, Ni, Zn). (7th November 2017)

• Record Type: Journal Article
• Authors: Takase, Kouichi; Hiramoto, Shozo; Fukushima, Tetsuya; Sato, Kazunori; Moriyoshi, Chikako; Kuroiwa, Yoshihiro
• Is Part Of: Applied physics express. Volume 10:Number 12(2017)
• Publication Date: 2017-11-07
• Subjects: Physics -- Periodicals; Technology -- Periodicals; 621.05
• DOI: 10.7567/APEX.10.123001
• Languages: English
• ISSNs: 1882-0778

Abstract

Abstract: Using synchrotron X-ray powder diffraction, we investigate the charge-density distributions of the layered oxypnictides (LaO)MnAs, (LaO)FeAs, (LaO)NiAs, and (LaO)ZnAs, which are an antiferromagnetic semiconductor, a parent material of an iron-based superconductor, a low-temperature superconductor, and a non-magnetic semiconductor, respectively. For the metallic samples, clear charge densities are observed in both the transition-metal pnictide layers and the rare-earth-oxide layers. However, in the semiconducting samples, there is no finite charge density between the transition-metal element and As. These differences in charge density reflect differences in physical properties. First-principles calculations using density functional theory reproduce the experimental results reasonably well.