منابع مشابه
Hexaaquacopper(II) dinitrate: absence of Jahn–Teller distortion. Corrigendum
The published crystal structure in the paper by Zibaseresht & Hartshorn (2006) is almost certainly that of the nickel complex and not the copper complex as originally identified. Refinement of the copper occupancy was consistent with the presence of a lighter transition metal ion in the structure, and residuals improved significantly when the complex was refined as the nickel or cobalt salts. U...
متن کاملOrigin of Jahn-Teller distortion and orbital order in LaMnO3.
The origin of the cooperative Jahn-Teller distortion and orbital order in LaMnO3 is central to the physics of the manganites. The question is complicated by the simultaneous presence of tetragonal and GdFeO3-type distortions and the strong Hund's rule coupling between e{g} and t{2g} electrons. To clarify the situation we calculate the transition temperature for the Kugel-Khomskii superexchange ...
متن کاملJahn-Teller distortion in polyoligomeric silsesquioxane (POSS) cations.
We investigated the symmetry breaking mechanism in cubic octa-tert-butyl silsesquioxane and octachloro silsesquioxane monocations (Si8O12(C(CH3)3)8(+) and Si8O12Cl8(+)) using density functional theory (DFT) and group theory. Under Oh symmetry, these ions possess (2)T2g and (2)Eg electronic states and undergo different symmetry breaking mechanisms. The ground states of Si8O12(C(CH3)3)8(+) and Si...
متن کاملJahn-Teller distortion driven magnetic polarons in magnetite
The first known magnetic mineral, magnetite, has unusual properties, which have fascinated mankind for centuries; it undergoes the Verwey transition around 120 K with an abrupt change in structure and electrical conductivity. The mechanism of the Verwey transition, however, remains contentious. Here we use resonant inelastic X-ray scattering over a wide temperature range across the Verwey trans...
متن کاملOrbital ordering and Jahn-Teller distortion in Perovskite ruthenate SrRuO3.
Local density approximation plus on-site Coulomb interaction U band structure calculations reveal that SrRuO3 exhibits a half-metallic ground state with an integer spin moment of 2.0 microB/SrRuO3. An associated tilting 4dt2g orbital ordering on a Ru sublattice is observed under the on-site Coulomb interaction U in the presence of lattice distortion. This finding unravels the on-site Coulomb co...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2004
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.70.024415