Unusual electronic state of Sn in AgSnSe2

Y. Naijo, K. Hada, T. Furukawa, T. Itou, T. Ueno, K. Kobayashi, I. I. Mazin, H. O. Jeschke, J. Akimitsu

研究成果: Article査読

1 被引用数 (Scopus)

抄録

AgSnSe2, by formal electron count, should have Sn in a highly unusual 3+ valence state and was therefore suggested to be a valence-skipping compound with potential for negative-U centers and local electron pairing. It has been proposed that the latter may be the mechanism beyond seemingly conventional superconductivity in this compound. We report NMR measurements and first-principles calculations that agree with each other perfectly, and both indicate that valence skipping does not take place and the highly unusual Sn3+ state is realized instead, likely because of geometrical constraint prohibiting a breathing distortion that could screen the on-site Coulomb repulsion.

本文言語English
論文番号075134
ジャーナルPhysical Review B
101
7
DOI
出版ステータスPublished - 2020 2 15
外部発表はい

ASJC Scopus subject areas

  • 電子材料、光学材料、および磁性材料
  • 凝縮系物理学

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