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

Research output: Contribution to journalArticlepeer-review

19 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)13363-13368
Number of pages6
JournalInorganic Chemistry
Volume52
Issue number23
DOIs
Publication statusPublished - 2013 Dec 2

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

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