Reversible mechanism for spin crossover in transition-metal cyanides
نویسندگان
چکیده
منابع مشابه
Reversible mechanism for spin crossover in transition-metal cyanides
We report the mechanisms for reversible and repeatable spin transition in a Prussian blue analog crystal, KCo[Fe(CN)6], derived from first-principles calculations. The forward and reverse transitions are initiated by metal-to-metal charge transfer, followed by the d-electron rearrangement at the Co center. Further, these transitions are strongly correlated with bond lengths within the crystal l...
متن کاملSpin–Orbital Physics in Transition Metal Oxides
We present the main features of the spin-orbital superexchange which describes the magnetic and optical properties of Mott insulators with orbital degrees of freedom. In contrast to the SU(2) symmetry of spin superexchange, the orbital part of the superexchange obeys the lower cubic symmetry of the lattice and is intrinsically frustrated. This intrinsic frustration and spin-orbital entanglement...
متن کاملSpin, Orbital, and Spin-Orbital Polarons in Transition Metal Oxides
I give a brief overview of a polaron formation in three distinct transition metal oxides: (i) spin polaron when a hole is added to the antiferromagnetic (AF) ordered plane in La2CuO4, (ii) orbital polaron when a hole is added to the alternating orbital (AO) ordered plane in LaMnO3, and (iii) spin-orbital polaron when a hole is added to the AF and AO ordered plane in LaVO3. Comparison of the dis...
متن کاملAnomalous thermodynamic properties in ferropericlase throughout its spin crossover transition
Z. Wu (吴忠庆 ,1 J. F. Justo,1,2 C. R. S. da Silva,3 S. de Gironcoli,4,5 and R. M. Wentzcovitch1,3 1Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota 55455, USA 2Escola Politécnica, Universidade de São Paulo, CP 61548, CEP 05424-970 São Paulo, SP, Brazil 3Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 5545...
متن کاملA Spin Crossover Transition in a Mn(II) Chain Compound
Three new compounds have been synthesized and characterized with Fe(II), Co(II) and Mn(II), the polynitrile anionic ligand 1,1,3,3-tetracyano-2-(3-hydroxypropoxy)-propenide (tcnopr3OH ́) and the co-ligand 4,41-bipyridine (4,41-bpy). The Fe(II) compound, formulated as [FeII(tcnoprOH)2(H2O)2(4,41-bpy)2] (1), contains monomeric complexes where the Fe(II) ion is coordinated to two trans polynitrile ...
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 B
سال: 2012
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.85.054431