TY - JOUR
T1 - Ferromagnetic Peierls insulator state in AMg4Mn6 O15 (A= K,Rb,Cs)
AU - Yamaguchi, T.
AU - Sugimoto, K.
AU - Ohta, Y.
AU - Tanaka, Y.
AU - Sato, H.
N1 - Funding Information:
This Rapid Communication was supported, in part, by a Grant-in-Aid for Scientific Research (Grant No. 17K05530) from JSPS of Japan.
Publisher Copyright:
© 2018 American Physical Society.
PY - 2018/4/5
Y1 - 2018/4/5
N2 - 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.
AB - 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.
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U2 - 10.1103/PhysRevB.97.161103
DO - 10.1103/PhysRevB.97.161103
M3 - Article
AN - SCOPUS:85045142237
SN - 2469-9950
VL - 97
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
IS - 16
M1 - 161103
ER -