Magnetic structure and electromagnetic properties of LnCrAsO with a ZrCuSiAs-type structure (Ln = La, Ce, Pr, and Nd)

Sang Won Park, Hiroshi Mizoguchi, Katsuaki Kodama, Shin Ichi Shamoto, Toshiya Otomo, Satoru Matsuishi, Toshio Kamiya, Hideo Hosono

研究成果: Article同行評審

24 引文 斯高帕斯(Scopus)

摘要

We report the synthesis, structure, and electromagnetic properties of Cr-based layered oxyarsenides LnCrAsO (Ln = La, Ce, Pr, and Nd) with a ZrCuSiAs-type structure. All LnCrAsO samples showed metallic electronic conduction. Electron doping in LaCrAsO by Mn-substitution for the Cr sites gave rise to a metal-insulator transition. Analysis of powder neutron diffraction data revealed that LaCrAsO had G-type antiferromagnetic (AFM) ordering, i.e., a checkerboard-type AFM ordering in the CrAs plane and antiparallel spin coupling between the adjacent CrAs planes, at 300 K with a large spin moment of 1.57 μB along the c axis. The magnetic susceptibility of LaCrAsO was very small (on the order of 10-3 emu/mol) and showed a broad hump at ∼550 K. First-principles density functional theory calculations of LaCrAsO explained its crystal structure and metallic nature well, but could not replicate the antiparallel spin coupling between the CrAs layers. The electronic structure of LaCrAsO is discussed with regard to those of related compounds LaFeAsO and LaMnAsO.

原文English
頁(從 - 到)13363-13368
頁數6
期刊Inorganic Chemistry
52
發行號23
DOIs
出版狀態Published - 2013 12月 2

All Science Journal Classification (ASJC) codes

  • 物理與理論化學
  • 無機化學

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