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We have described properties of LiCoO_2 within the Quantum Atomistic Solid State (QUASST) theory taking into account very strong electron correlations, predominantly of the intra-atomic origin, spin-orbit coupling and the detailed local…

强关联电子 · 物理学 2008-10-08 R. J. Radwanski , Z. Ropka

Oxygen isotope substitution is performed in the perovskite cobalt oxide (Pr$_{0.7}$Sm$_{0.3}$)$_{0.7}$Ca$_{0.3}$CoO${_3}$ which shows a sharp spin state transition from the intermediate spin (IS) state to the low spin (LS) state at a…

强关联电子 · 物理学 2009-11-11 G. Y. Wang , T. Wu , X. G. Luo , W. Wang , X. H. Chen

Spin-state transitions are the hallmark of rare-earth cobaltates. In order to understand them, it is essential to identify all relevant parameters which shift the energy balance between spin states, and determine their trends. We find that…

强关联电子 · 物理学 2012-11-15 Guoren Zhang , Evgeny Gorelov , Erik Koch , Eva Pavarini

Puzzling properties of sodium cobaltates Na${}_x$CoO${}_2$ become an issue of numerous recent theoretical and experimental investigations because of very high thermopower and intricate phase diagram of this material. Experiments indicated…

材料科学 · 物理学 2015-06-04 Y. Lysogorskiy , O. Nedopekin , S. Krivenko , D. Tayurskii , B. Minisini

We formulate and study a spin-orbital model for a family of cubic double perovskites with $d^1$ ions occupying a frustrated fcc sublattice. A variational approach and a complimentary analytical analysis reveal a rich variety of phases…

强关联电子 · 物理学 2017-05-31 Judit Romhányi , Leon Balents , George Jackeli

Here we have experimentally demonstrated spin-correlation-driven ferroelectric quantum criticality in a prototype quantum spin-liquid system, Ba3CuSb2O9, a quantum phenomenon rarely observed. The dielectric constant follows a clear T2…

强关联电子 · 物理学 2026-04-01 Sayan Ghosh , Gourab Roy , Ekta Kushwaha , Mohit Kumar , Tathamay Basu

Research on nickel-based superconductors has progressed from infinite-layer LaNiO$_2$ to finite-layer La$_{6}$Ni$_{5}$O$_{12}$, and most recently to the Ruddlesden-Popper phase La$_3$Ni$_2$O$_7$, which was found to exhibits onset of…

The properties and mechanism of the magnetic phase transition of the perovskite-type Ti oxides, which is driven by the Ti-O-Ti bond angle distortion, are studied theoretically by using the effective spin and pseudospin Hamiltonian with…

强关联电子 · 物理学 2007-05-23 Masahito Mochizuki , Masatoshi Imada

A positive muon spin rotation and relaxation ($\mu^+$SR) experiment on [Ca$_2$CoO$_3$]$_{0.62}$[CoO$_2$], ({\sl i.e.}, Ca$_3$Co$_4$O$_9$, a layered thermoelectric cobaltite) indicates the existence of two magnetic transitions at $\sim$ 100…

强关联电子 · 物理学 2009-11-10 J. Sugiyama , J. H. Brewer , E. J. Ansaldo , H. Itahara , K. Dohmae , Y. Seno , C. Xia , T. Tani

Rapidly developing science and technology demand new materials with versatile and promising properties for practical applications. In this context, pseudo-octahedral iron(II) spin crossover (SCO) complexes are particularly appealing - not…

Recent studies exposed many remarkable properties of layered cobaltates NaxCoO2. Surprisingly, many-body effects have been found to increase at sodium-rich compositions of NaxCoO2 where one expects a simple, nearly free motion of the dilute…

强关联电子 · 物理学 2015-05-13 J. Chaloupka , G. Khaliullin

Electronic state and the Verwey transition in magnetite (Fe_3O_4) are studied using a spinless three-band Hubbard model for 3d electrons on the B sites with the Hartree-Fock approximation and the exact diagonalisation method.…

强关联电子 · 物理学 2009-11-13 Hisashi Uzu , Arata Tanaka

Using density functional theory plus Hubbard $U$ calculations, we show that the ground state of (Mg,Fe)(Si,Fe)O$_3$ perovskite, a major mineral phase in the Earth's lower mantle, has high-spin ferric iron ($S=5/2$) at both the dodecahedral…

地球物理 · 物理学 2015-05-27 Han Hsu , Peter Blaha , Matteo Cococcioni , Renata M. Wentzcovitch

Entanglement of spin and orbital degrees of freedom drives the formation of novel quantum and topological physical states. Discovering new spin-orbit entangled ground states and emergent phases of matter requires both experimentally probing…

A new nanoscale ordered perovskite cobaltite, which consists of 90 degree ordered domains of the layered-112 LaBaCo2O6 has been evidenced by high resolution- transmission electron microscopy. This new form, like the disordered…

材料科学 · 物理学 2011-11-10 Asish K. Kundu , E. -L. Rautama , Ph. Boullay , V. Caignaert , V. Pralong , B. Raveau

We report the structural, magnetic and thermodynamic properties of the double perovskite compound La2CuIrO6 from X-ray, neutron diffraction, neutron depolarization, dc magnetization, ac susceptibility, specific heat, muon-spin-relaxation…

We demonstrate efficient intrinsic spin-to-charge current conversion in a two-dimensional electron gas using an all-epitaxial single-crystal heterostructure of LaSrMnO3/ LaAlO3 (LAO)/ SrTiO3 (STO), which can suppress spin scattering and…

The antiferromagnetic - ferromagnetic phase transition in YBaCo2O5.50 and YBaCo2O5.44 cobaltites with different types of oxygen-ion ordering in the [YO0.5/0.44] layers has been studied by neutron powder diffraction. Using the magnetic…

材料科学 · 物理学 2007-05-23 D. D. Khalyavin , D. N. Argyriou , U. Amann , A. A. Yaremchenko , V. V. Kharton

Using soft-x-ray absorption spectroscopy at the Co-$L_{2,3}$ and O-$K$ edges, we demonstrate that the Co$^{3+}$ ions with the CoO$_{5}$ pyramidal coordination in the layered Sr$_2$CoO$_3$Cl compound are unambiguously in the high spin state.…

The synthesis and physical properties of the double perovskite (DP) compound Ba2CdReO6 with the 5d1 electronic configuration are reported. Three successive phases originating from a spin-orbit-entangled Jeff = 3/2 state, confirmed by the…

强关联电子 · 物理学 2021-04-06 Daigorou Hirai , Zenji Hiroi