排序方式: 共有22条查询结果,搜索用时 15 毫秒
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N. N. Kovaleva K. I. Kugel Z. Potůček O. E. Kusmartseva N. S. Goryachev Z. Bryknar E. I. Demikhov V. A. Trepakov A. Dejneka F. V. Kusmartsev A. M. Stoneham 《Journal of Experimental and Theoretical Physics》2016,122(5):890-901
In magnetic compounds with Jahn–Teller (JT) ions (such as Mn3+ or Cu2+), the ordering of the electron or hole orbitals is associated with cooperative lattice distortions. There the role of JT effect, although widely recognized, is still elusive in the ground state properties. Here we discovered that, in these materials, there exist excitations whose energy spectrum is described in terms of the total angular momentum eigenstates and is quantized as in quantum rotors found in JT centers. We observed features originating from these excitations in the optical spectra of a model compound LaMnO3 using ellipsometry technique. They appear clearly as narrow sidebands accompanying the electron transition between the JT split orbitals at neighboring Mn3+ ions, displaying anomalous temperature behavior around the Néel temperature TN ≈ 140 K. We present these results together with new experimental data on photoluminescence found in LaMnO3, which lend additional support to the ellipsometry implying the electronic-vibrational origin of the quantum rotor orbital excitations. We note that the discovered orbital excitations of quantum rotors may play an important role in many unusual properties observed in these materials upon doping, such as high-temperature superconductivity and colossal magnetoresistance. 相似文献
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Kozlenko DP Kusmartseva AF Lukin EV Keen DA Marshall WG de Vries MA Kamenev KV 《Physical review letters》2012,108(18):187207
The structural and magnetic properties of deuterated herbertsmithite have been studied by means of neutron powder diffraction and magnetic susceptibility measurements in a wide range of temperatures and pressures. The experimental data demonstrate that a phase transition from the quantum-disordered spin-liquid phase to the long-range ordered antiferromagnetic phase with the Néel temperature T(N)=6 K is induced at P=2.5 GPa. The observed decrease of T(N) upon compression correlates with the anomalies in pressure behavior of Cu-O bond length and Cu-O-Cu bond angles. The reasons for the observed spin-freezing transition are discussed within the framework of the available theoretical models and the recent observation of the field-induced spin freezing. 相似文献
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Márcio AF Belo-Filho Franklina MB Toledo Bernardo Almada-Lobo 《The Journal of the Operational Research Society》2014,65(11):1735-1747
Setup operations are significant in some production environments. It is mandatory that their production plans consider some features, as setup state conservation across periods through setup carryover and crossover. The modelling of setup crossover allows more flexible decisions and is essential for problems with long setup times. This paper proposes two models for the capacitated lot-sizing problem with backlogging and setup carryover and crossover. The first is in line with other models from the literature, whereas the second considers a disaggregated setup variable, which tracks the starting and completion times of the setup operation. This innovative approach permits a more compact formulation. Computational results show that the proposed models have outperformed other state-of-the-art formulation. 相似文献
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Stability and convergence of the spectral Lagrange-Galerkin method for mixed periodic/non-periodic convection-dominated diffusion problems 总被引:1,自引:0,他引:1
We present a convergence analysis of the spectral Lagrange-Galerkinmethod for mixed periodic/non-periodic convection-diffusionproblems. The scheme is unconditionally stable, independentof the diffusion coefficient, even in the case when numericalquadrature is used. The theoretical predictions are illustratedby a series of numerical experiments. For the periodic case,our results present a significant improvement on those givenby Süli & Ware (1991) SIAM J. Numer.Anal.28, 423-445). 相似文献
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Dr. Peter J. Byrne Dr. Patricia J. Richardson Dr. John Chang Dr. Anna F. Kusmartseva Dr. David R. Allan Dr. Anita C. Jones Dr. Konstantin V. Kamenev Prof. Peter A. Tasker Prof. Simon Parsons 《Chemistry (Weinheim an der Bergstrasse, Germany)》2012,18(25):7738-7748
The crystal structures of bis(3‐fluoro‐salicylaldoximato)nickel(II) and bis(3‐methoxy‐salicylaldoximato)nickel(II) have been determined at room temperature between ambient pressure and approximately 6 GPa. The principal effect of pressure is to reduce intermolecular contact distances. In the fluoro system molecules are stacked, and the Ni???Ni distance decreases from 3.19 Å at ambient pressure to 2.82 Å at 5.4 GPa. These data are similar to those observed in bis(dimethylglyoximato)nickel(II) over a similar pressure range, though contrary to that system, and in spite of their structural similarity, the salicyloximato does not become conducting at high pressure. Ni–ligand distances also shorten, on average by 0.017 and 0.011 Å for the fluoro and methoxy complexes, respectively. Bond compression is small if the bond in question is directed towards an interstitial void. A band at 620 nm, which occurs in the visible spectrum of each derivative, can be assigned to a transition to an antibonding molecular orbital based on the metal 3d(x2?y2) orbital. Time‐dependent density functional theory calculations show that the energy of this orbital is sensitive to pressure, increasing in energy as the Ni–ligand distances are compressed, and consequently increasing the energy of the transition. The resulting blueshift of the UV‐visible band leads to piezochromism, and crystals of both complexes, which are green at ambient pressure, become red at 5 GPa. 相似文献
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Byrne PJ Richardson PJ Chang J Kusmartseva AF Allan DR Jones AC Kamenev KV Tasker PA Parsons S 《Chemistry (Weinheim an der Bergstrasse, Germany)》2012,18(25):7738-7748
The crystal structures of bis(3-fluoro-salicylaldoximato)nickel(II) and bis(3-methoxy-salicylaldoximato)nickel(II) have been determined at room temperature between ambient pressure and approximately 6?GPa. The principal effect of pressure is to reduce intermolecular contact distances. In the fluoro system molecules are stacked, and the Ni???Ni distance decreases from 3.19?? at ambient pressure to 2.82?? at 5.4?GPa. These data are similar to those observed in bis(dimethylglyoximato)nickel(II) over a similar pressure range, though contrary to that system, and in spite of their structural similarity, the salicyloximato does not become conducting at high pressure. Ni-ligand distances also shorten, on average by 0.017 and 0.011?? for the fluoro and methoxy complexes, respectively. Bond compression is small if the bond in question is directed towards an interstitial void. A band at 620?nm, which occurs in the visible spectrum of each derivative, can be assigned to a transition to an antibonding molecular orbital based on the metal 3d(x(2)-y(2)) orbital. Time-dependent density functional theory calculations show that the energy of this orbital is sensitive to pressure, increasing in energy as the Ni-ligand distances are compressed, and consequently increasing the energy of the transition. The resulting blueshift of the UV-visible band leads to piezochromism, and crystals of both complexes, which are green at ambient pressure, become red at 5?GPa. 相似文献