2005/12/08 by B. I. Min, J. H. Shim, Min, B. I. +10
Materials Science · Physics and Astronomy · #FOS: Physical sciences #Iron-based superconductors research #Materials Science (cond-mat.mtrl-sci) #Physics of Superconductivity and Magnetism #Rare-earth and actinide compounds #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.cond-mat/0512168
4 pages, 4figures
arxiv created 2005/12/08 · openalex publication_date 2005/12/08 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
The origin of the stabilized simple-cubic (SC) structure in Po is explored by using the first principle band calculations. We have found that the prime origin is the inherent strong spin-orbit (SO) interaction in Po, which suppresses the Peierls-like structural instability as usually occurs in p-bonded systems. Based on the systematic analysis of electronic structures, charge densities, Fermi surfaces, and susceptibilities of Se, Te, and Po, we have proved that the stable crystal structure in VIA elements is determined by the competition between the SO splitting and the crystal field splitting induced by the low-symmetry structural transition. The trigonal structure is stabilized in Se and Te by the larger crystal field splitting than the SO splitting, whereas in Po the SC structure is stabilized by the large SO splitting.