相关论文: Two universality classes for the displacive phase …
Layers of perovskites, found in 3D materials, 2D heterostructures, and nanotubes, often distort from high symmetry to facilitate dipole polarisation that is exploitable in many applications. Using density-functional theory calculations,…
Based on density functional theory calculations including a Coulomb repulsion parameter $U$, we explore the topological properties of (La$X$O$_3$)$_2$/(LaAlO$_3$)$_4$(111) with $X=$ $4d$ and $5d$ cations. The metastable ferromagnetic phases…
Oxides with perovskite-based structures have been known as essential materials for fascinating phenomena such as high-temperature and unconventional superconductivity. Discoveries of these oxide superconductors have driven the science…
In a recent paper [Phys. Rev. E \textbf{92}, 012123 (2015)] a modified $d$-dimensional $\Phi^4$ model was investigated which differs from the standard one in that the $\Phi^4$ term was replaced by a nonlocal one with a potential…
The detailed analysis of the global structure of the renormalization-group (RG) flow diagram for a model with isotropic and cubic interactions is carried out in the framework of the massive field theory directly in three dimensions (3D)…
Layered ruthenates are prototype materials with strong structure-property correlations. We report the structural and physical properties of double-layered perovskite Sr3(Ru1-xMnx)2O7 single crystals with 0<=x<=0.7. Single crystal x-ray…
The model developed for LaMnO$_3$ addresses the spin-orbital order by superexchange and Jahn-Teller orbital interactions in the cubic (perovskite) symmetry up to now whereas real crystal structure is strongly deformed. We identify and…
We study dimerization transitions in a frustrated spin-3 chain with next-nearest neighbor and three-site interactions. We show that two independent coupling constants of the model are sufficient to fine-tune the system to the critical point…
Monte Carlo simulations and finite-size scaling analysis have been carried out to study the critical behavior and universality for the isotropic-nematic phase transition in a system of long straight rigid rods of length $k$ ($k$-mers) on…
Recent optical conductivity $\sigma(\omega)$ experiments have revealed an anomalous spectral distribution in the ferromagnetic phase of the perovskite system $La_{1-x}Sr_xMnO_3$. Using finite temperature diagonalization techniques we…
SrTiO$_3$ is a model perovskite compound with unique properties and technological relevance. At 105 K it undergoes a transition from a cubic to a tetragonal phase with characteristic antiferrodistortive rotations of the TiO$_6$ octahedra.…
Hexagonal perovskites with face-sharing octahedral connectivity are an underexplored class of materials. We propose quantitative design principles for stabilizing face-sharing ABX3 hexagonal perovskites based on a comparative analysis of…
Ternary cubic perovskite compounds of the form A_(1/3)A'_(1/3)A''_(1/3)BO_3 and AB_(1/3)B'_(1/3)B''_(1/3)O_3, in which the differentiated cations form an alternating series of monolayers, are studied using first-principles methods. Such…
We investigate the high-pressure phase transitions in BiFeO3 by single crystal and powder x-ray diffraction, as well as single crystal Raman spectroscopy. Six phase transitions are reported in the 0-60 GPa range. At low pressures, up to 15…
Using extensive Monte Carlo simulations, we test the hypothesis that the density of corresponding topological defects has an universal value at the temperature of a continuous phase transition. We consider several simple two-dimensional…
In the series of 3d1 t2g perovskites, SrVO3--CaVO3--LaTiO3--YTiO3 the transition-metal d electron becomes increasingly localized and undergoes a Mott transition between CaVO3 and LaTiO3. By defining a low-energy Hubbard Hamiltonian in the…
We study the triangular lattice bilayer Heisenberg model with antiferromagnetic interplane coupling $J_\perp$ and nearest neighbour intraplane coupling $J= \lambda J_\perp$, which can be ferro- or antiferromagnetic, by expansions in…
We study the phase space structure and the orbital diffusion from the vicinity of the vertical Lyapunov periodic orbits around the unstable Lagrangian points L1,2 in a 3D barred galaxy model. By perturbing the initial conditions of these…
In this paper, we revisit the high-pressure behavior of BaZrO3 by a combination of first-principle calculations, Raman spectroscopy, and x-ray diffraction under high pressure. We confirm experimentally the cubic-to-tetragonal transition at…
We derive a new renormalization group to calculate a non-trivial critical exponent of the divergent correlation length which gives a universality classification of essential singularities in infinite-order phase transitions. This method…