TY - JOUR
T1 - Direct observation of charge transfer in double-perovskite-like [formula presented]
AU - Kato, K.
AU - Moritomo, Y.
AU - Takata, M.
AU - Sakata, M.
AU - Umekawa, M.
AU - Hamada, N.
AU - Ohkoshi, S.
AU - Tokoro, H.
AU - Hashimoto, K.
PY - 2003
Y1 - 2003
N2 - The charge density distribution has been determined for a transition metal cyanide, [Formula presented], by means of the maximum entropy–Rietveld method combined with the highly angularly resolved synchrotron radiation x-ray powder diffraction at SPring-8 BL02B2. We directly observed a charge transfer from the Mn site to the Fe site in the low-temperature phase. On the basis of a local density approximation calculation, we discuss the origin for the anisotropic bonding electron distribution around the [Formula presented] ion in the low-temperature phase.
AB - The charge density distribution has been determined for a transition metal cyanide, [Formula presented], by means of the maximum entropy–Rietveld method combined with the highly angularly resolved synchrotron radiation x-ray powder diffraction at SPring-8 BL02B2. We directly observed a charge transfer from the Mn site to the Fe site in the low-temperature phase. On the basis of a local density approximation calculation, we discuss the origin for the anisotropic bonding electron distribution around the [Formula presented] ion in the low-temperature phase.
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U2 - 10.1103/PhysRevLett.91.255502
DO - 10.1103/PhysRevLett.91.255502
M3 - Article
AN - SCOPUS:85038281084
SN - 0031-9007
VL - 91
JO - Physical Review Letters
JF - Physical Review Letters
IS - 25
ER -