Related papers: Continuous first order orbital order-disorder tran…
Below its Jahn--Teller transition temperature, $T_\mathrm{JT}$, NaNiO$_2$ has a monoclinic layered structure consisting of alternating layers of edge-sharing NaO$_6$ and Jahn-Teller-distorted NiO$_6$ octahedra. Above $T_\mathrm{JT}$ where…
Using a Monte Carlo method, we study the finite-temperature phase transition in the two-dimensional classical Heisenberg model on a triangular lattice with or without easy-plane anisotropy. The model takes account of competing interactions:…
The structural, electrical transport and magnetic properties of perovskite oxides La1-xTexMnO3 have been investigated and thus the magnetic phase diagram of La1-xTexMnO3 compounds as a function of temperature and the doping level x has been…
We report the temperature-dependent synchrotron based X-ray diffraction analysis of NASICON type Na$_3$FeCr(PO$_4$)$_3$ sample, which undergoes a symmetry-lowering structural transition from a monoclinic ($C2/c$) phase with long-range…
The classification of structural phase transitions as displacive or order-disorder in character is usually based on spectroscopic data above the transition. We use single crystal x-ray diffraction to investigate structural correlations in…
We report the results of a systematic investigation of the phase diagram of the iron-based superconductor, Ba1-xKxFe2As2, from x = 0 to x = 1.0 using high resolution neutron and x-ray diffraction and magnetization measurements. The…
The co-existence of band Jahn-Teller (BJT) effect with superconductivity (SC) is studied for correlated systems, with orbitally degenerate bands using a simple model. The Hubbard model for a doubly degenerate orbital with the on-site…
The role of orbital ordering on metal-insulator transition of transition-metal oxides is investigated by the cluster self-consistent field approach in the strong correlation regime. A clear dependence of the insulating gap on the orbital…
We detect the persistence of the solidification and order-disorder first-order transition lines in the phase diagram of nanocrystalline Bi$_{2}$Sr$_{2}$CaCu$_{2}$O$_{8}$ vortex matter down to a system size of less than hundred vortices. The…
Evolution of the average and local crystal structure of Ca-doped LaMnO$_{3}$ has been studied across the metal to insulator (MI) and the orthorhombic to rhombohedral (OR) structural phase transitions over a broad temperature range for two…
We investigate the dynamics of a first order transition when the order parameter field undergoes resonant oscillations, driven by a periodically varying parameter of the free energy. This parameter could be a background oscillating field as…
Disorder induced by chemical inhomogeneity and Jahn-Teller (JT) distortions is often observed in mixed valence perovskite manganites. The main reasons for the evolution of this disorder are connected with the cationic size differences and…
We study a finite-temperature phase transition in the two-dimensional classical Heisenberg model on a triangular lattice with a ferromagnetic nearest-neighbor interaction $J_1$ and an antiferromagnetic third-nearest-neighbor interaction…
Three high-spin phases recently discovered in the spin-crossover system Mn(taa) are identified through analysis by a combination of first-principles calculations and Monte Carlo simulation as a low-temperature Jahn-Teller ordered (solid)…
The lacunar spinel GaNb$_4$Se$_8$ is a tetrahedral cluster Mott insulator where spin-orbit coupling on molecular orbitals and Jahn-Teller energy scales are competitive. GaNb$_4$Se$_8$ undergoes a structural and anti-polar ordering…
The Mott insulating perovskite KCuF3 is considered the archetype of an orbitally-ordered system. By using the LDA+dynamical mean-field theory (DMFT) method, we investigate the mechanism for orbital-ordering (OO) in this material. We show…
Structural features of the charge/orbital ordering (CO/OO) in single-layered manganites Pr1-xCa1+xMnO4 have been investigated systematically by transmission electron microscopy. Analyses of electron diffraction patterns as well as…
In doped CuGeO3 systems, such as (Cu1-xZnx)GeO3 and Cu(Ge1-xSix)O3, the spin-Peierls (SP) ordering (T<Tsp) coexists with the antiferromagnetic (AF) phase (T<TN<Tsp). Tsp decreases while TN increases with increasing x in low doping region.…
The first order magneto-structural transition ($T_t\simeq95$ K) and magnetocaloric effect in MnNiGe$_{0.9}$Ga$_{0.1}$ are studied via powder x-ray diffraction and magnetization measurements. Temperature dependent x-ray diffraction…
Using ab initio thermodynamics we compile a phase diagram for the surface of Fe3O4(001) as a function of temperature and oxygen pressures. A hitherto ignored polar termination with octahedral iron and oxygen forming a wave-like structure…