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

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

Research output: Contribution to journalArticle

1 Citation (Scopus)

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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Manganese oxide
Electronic states
Crystal lattices
Ground state
Electronic structure
Density functional theory
Crystal structure
insulators
orbitals
manganese oxides
cubic lattices
density functional theory
electronic structure
crystal structure
ground state
electronics
manganese oxide

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Ferromagnetic Peierls insulator state in AMg4Mn6 O15 (A= K,Rb,Cs). / Yamaguchi, T.; Sugimoto, Koudai; Ohta, Y.; Tanaka, Y.; Sato, H.

In: Physical Review B, Vol. 97, No. 16, 161103, 05.04.2018.

Research output: Contribution to journalArticle

Yamaguchi, T. ; Sugimoto, Koudai ; Ohta, Y. ; Tanaka, Y. ; Sato, H. / Ferromagnetic Peierls insulator state in AMg4Mn6 O15 (A= K,Rb,Cs). In: Physical Review B. 2018 ; Vol. 97, No. 16.
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