Ferromagnetic Peierls insulator state in AMg4Mn6 O15 (A= K,Rb,Cs)

T. Yamaguchi, Koudai Sugimoto, Y. Ohta, Y. Tanaka, H. Sato

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Abstract

Using the density-functional-theory-based electronic structure calculations, we study the electronic state of recently discovered mixed-valent manganese oxides AMg4Mn6O15(A=K,Rb,Cs), which are fully spin-polarized ferromagnetic insulators with a cubic crystal structure. We show that the system may be described as a three-dimensional arrangement of the one-dimensional chains of a 2p orbital of O and a 3d orbital of Mn running along the three axes of the cubic lattice. We thereby argue that in the ground state the chains are fully spin polarized due to the double-exchange mechanism and are distorted by the Peierls mechanism to make the system insulating.

Original languageEnglish
Article number161103
JournalPhysical Review B
Volume97
Issue number16
DOIs
Publication statusPublished - 2018 Apr 5
Externally publishedYes

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ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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