Magnetic Structure and Electromagnetic Properties of LnCrAsO with a ZrCuSiAs-type Structure (Ln = La, Ce, Pr, and Nd)
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- 作者：Sang-Won Park ; Hiroshi Mizoguchi ; Katsuaki Kodama ; Shin-ichi Shamoto ; Toshiya Otomo ; Satoru Matsuishi ; Toshio Kamiya ; Hideo Hosono
- 刊名：Inorganic Chemistry
- 出版年：2013
- 出版时间：December 2, 2013
- 年：2013
- 卷：52
- 期：23
- 页码：13363-13368
- 全文大小：369K
- 年卷期：v.52,no.23(December 2, 2013)
- ISSN：1520-510X
文摘
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鈥搃nsulator 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 渭B along the c axis. The magnetic susceptibility of LaCrAsO was very small (on the order of 10鈥? 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.