Unusual Superexchange Pathways in anNiS2Triangular Lattice with Negative Charge-Transfer Energy
نویسندگان
چکیده
منابع مشابه
Lattice and superexchange effects in doped CMRmanganites
We report on the influence of the lattice degrees of freedom on charge, orbital and spin correlations in colossal magnetoresistance (CMR) manganites. For the weakly doped compounds we demonstrate that the electron-phonon coupling promotes the trapping of charge carriers, the disappearance of the orbital polaron pattern and the breakdown of ferromagnetism at the CMR transition. The role of diffe...
متن کاملUnusual valence, negative charge-transfer gaps and self-doping in transition-metal compounds
In this paper I discuss the electronic structure and properties of a specific, rather unconventional class of transition metal (TM) compounds, e.g. TM oxides, which formally have unusually high values of the oxidation state, or valence, of TM. In contrast to the typical situation, in this case the charge-transfer gap (excitation energy for the transfer of electrons from the ligands to the TM) i...
متن کاملPhotoinduced electron transfer across molecular bridges: electron- and hole-transfer superexchange pathways.
Photoinduced electron transfer plays key roles in many areas of chemistry. Superexchange is an effective model to rationalize photoinduced electron transfer, particularly when molecular bridges between donor and acceptor subunits are present. In this tutorial review we discuss, within a superexchange framework, the complex role played by the bridge, with an emphasis on differences between therm...
متن کاملDexter energy transfer pathways.
Energy transfer with an associated spin change of the donor and acceptor, Dexter energy transfer, is critically important in solar energy harvesting assemblies, damage protection schemes of photobiology, and organometallic opto-electronic materials. Dexter transfer between chemically linked donors and acceptors is bridge mediated, presenting an enticing analogy with bridge-mediated electron and...
متن کاملInvestigating the resonance energy and charge transfer in the clonidine and c60-clonidine-fullerene carriers with quantum chemistry calculations
Clonidine has two aromatic rings in which halogens are attached to one ring in this study, both in drug state and in fullerene nanostructure, and by changing the type of halogen at the * HF / 6-31G level and in The gas phase was first optimized and then the NBO calculations were performed. The results obtained in N61, N63 and N5, N3 indicate the highest rhizanese energy and load transfer that, ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2007
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.99.037203