Related papers: Ordering kinetics in an fcc A_3B binary alloy mode…
The weakly interacting S=1/2 dimers system Sr3Cr2O8 has been investigated by powder neutron diffraction and inelastic neutron scattering. Our data reveal a structural phase transition below room temperature corresponding to an…
Machine learning algorithms thrive on large data sets of good quality. Here we show that they can also excel in a typical research setting with little data of limited quality, through an interplay of insights coming from machine, and human…
The phase diagram and sound velocities of the Fe-Si binary alloy, crucial for understanding the Earth's core, are determined at inner core boundary pressure with \textit{ab-initio} accuracy through deep-learning-aided hybrid Monte Carlo…
When exploring new magnetic materials, the effect of alloying plays a crucial role for numerous properties. By altering the alloy composition, it is possible to tailor, e.g., the Curie temperature ($T_\text{C}$). In this work, $T_\text{C}$…
We study the finite temperature phase diagram of the Heisenberg-Kitaev model on a three dimensional hyperhoneycomb lattice. Using semiclassical analysis and classical Monte-Carlo simulations, we investigate quantum and thermal…
One of issues arising in materials science is a behavior of non-equilibrium point defects in the atomic lattice, which defines the rates of chemical reactions and relaxation processes as well as affects the physical properties of solids. It…
Using the self-consistent field approximation, the static concentration waves approach and the Onsager-type kinetics equations, the descriptions of both the statistical thermodynamics and the kinetics of an atomic ordering of D019 phase are…
The orientational ordering transition is investigated in the quantum generalization of the anisotropic-planar-rotor model in the low temperature regime. The phase diagram of the model is first analyzed within the mean-field approximation.…
Alkali superoxides differ from conventional transition metal magnets, exhibit magnetism from partially occupied oxygen molecular $\pi^*$-orbitals. Among them, CsO$_2$ stands out for its potential to exhibit novel quantum collective…
We investigate theoretically charge ordered states on the anisotropic triangular lattice characteristic of the theta-(BEDT-TTF)_2 X materials. Using exact diagonalization studies, we establish that the charge order (CO) pattern corresponds…
We study the three-dimensional generalized six-state clock model at values of the energy parameters, at which the system is considered to have the same behavior as the stacked triangular antiferromagnetic Ising model and the three-state…
Using powder neutron diffraction we have discovered an unusual magnetic order-order transition in the Ising spin chain compound Ca3Co2O6. On lowering the temperature an antiferromagnetic phase with propagation vector k=(0.5,-0.5,1) emerges…
This study employed hybrid Monte Carlo Molecular Dynamics simulations to investigate the short-range ordering behavior of Ni-based superalloys doped with boron or carbon. The simulations revealed that both boron and carbon dissociated from…
Coarsening dynamics, the canonical theory of phase ordering following a quench across a symmetry breaking phase transition, is thought to be driven by the annihilation of topological defects. Here we show that this understanding is…
High energy x-ray diffraction is used to investigate the bulk oxygen ordering properties of YBa_2Cu_3O_{6+x}. Superstructures of Cu-O chains aligned along the b axis and ordered with periodicity ma, along the a axis have been observed. For…
We propose a finite temperature Landau theory that describes competing orders and interlayer tunneling in cuprate superconductors as an important extension to a corresponding theory at zero temperature [Nature {\bf 428}, 53 (2004)], where…
At low temperatures, some lattice spin models with simple ferromagnetic or antiferromagnetic interactions (for example nearest-neighbour interaction being isotropic in spin space on a bipartite three-dimensional lattice) produce…
We have studied the antiferromagnetic order -- disorder transition occurring at $T=0$ in a 2-layer quantum Heisenberg antiferromagnet as the inter-plane coupling is increased. Quantum Monte Carlo results for the staggered structure factor…
We study the effect of quenched disorder in the thermodynamic magnitudes entailed in the first-order vortex phase transition of the extremely layered Bi$_{2}$Sr$_{2}$CaCu$_{2}$O$_{8 + \delta}$ compound. We track the temperature-evolution of…
Proton ordering in water ice is a paradigmatic order-disorder transition in a locally constrained system. The ice rules require exactly two hydrogens close to each oxygen, restricting the disorder to an exponentially large yet strongly…