2010/10/02 by Xun-Wang Yan, Zhong-Yi Lu, Yan, Xun-Wang +2
Business, Management and Accounting · Materials Science · Physics and Astronomy · #FOS: Physical sciences #Intellectual Capital and Performance Analysis #Iron-based superconductors research #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.1010.0342
4 pages, 5 figures, and 1 table
arxiv created 2010/10/02 · openalex publication_date 2010/10/02 · arxiv updated 2010/10/05 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
We first analyze why the iron pnictides with high Tc superconductivity so far are As-based, by the Hund's rule correlation picture, then examine the P-based and Sb-based cases, respectively. Consequently, we propose that CaClFeP with ZrCuSiAs-type structure is an As-free high Tc iron-pnictide. The subsequent density functional theory calculations show that the ground state of CaClFeP is of a collinearly antiferromagnetic order on Fe moments with structural distortion, resulting from the interplay between the strong nearest and next-nearest neighbor antiferromagnetic superexchange interactions bridged by P atoms, similar as the As-based pnictides. The other P-based pnictides are either nonmagnetic or magnetic but with weak exchange interactions. The Sb-based pnictides unlikely show high Tc superconductivity because of the existence of robust ferromagnetic order.