Extended charge-transfer state of RbMn[Fe(CN) 6]

Kenichi Kato, Yutaka Moritomo, Hiroshi Tanaka, Hiroko Tokoro, Shin Ichi Ohkoshi, Masaki Takata

Research output: Contribution to journalArticlepeer-review

8 Citations (Scopus)


Based on the maximum entropy method (MEM) charge density, we have visualized the electrostatic potential of a charge-transfer compound, RbMn[Fe(CN) 6], which shows the charge-transfer transition from the nominal Mn 2+-Fe 3+ configuration to the Mn 3+-Fe 2+ one below 220 K. In the low-temperature phase, the transferred electron spreads over the hexacyanoferrate ([Fe(CN) 6]) via the strong Fet 2g-CNπ* hybridization. Such an extended charge-transfer state is responsible for the relatively strong ferromagnetic coupling between the neighbouring Mn 3+ spins.

Original languageEnglish
Article number123602
JournalJournal of the Physical Society of Japan
Issue number12
Publication statusPublished - 2007 Dec


  • Charge-transfer transition
  • Electrostatic potential
  • MEM charge density


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