Related papers: Lattice Instabilities Along the Transformation fro…
By introducing appropriate lattice parameters for a bi-lattice smoothly connecting the hexagonal close-packed (hcp) with the cuboidal structures, namely the body-centered (bcc) and the face centered cubic (fcc) lattices, we were able to map…
A smooth path of rearrangement from the body-centered cubic (bcc) to the face-centered cubic (fcc) lattice is obtained by introducing a single parameter to cuboidal lattice vectors. As a result, we obtain analytical expressions in terms of…
This work provides a rigorous analysis of Bain-type cuboidal lattice transformations, which connect the face-centered cubic (fcc), mean-centered cubic (mcc), body-centered cubic (bcc) and axially centered cubic (acc) lattices. Our study…
The Burgers distortion is a two-stage transition between body centered cubic (BCC) and hexagonal close-packed (HCP) structures. Refractory metal elements from the Sc and Ti columns of the periodic table (BCC/HCP elements) form BCC…
Many structural transformations involve a group-nonsubgroup relationship between the initial and transformed phases, and hence are beyond the purview of conventional Landau theory. We utilize a systematic and robust methodology to describe…
This work generalizes our previous works on fcc-bcc martensitic transformations to the larger family of transformations in the fcc-bcc-hcp system and to fcc-fcc mechanical twinning. The analytical expressions of the atomic displacements and…
Under pressure cesium undergoes a transition from a high-pressure fcc phase (Cs-II) to a collapsed fcc phase (Cs-III) near 4.2GPa. At 4.4GPa there follows a transition to the tetragonal Cs-IV phase. In order to investigate the lattice…
The Riesz potential $f_s(r)=r^{-s}$ is known to be an important building block of many interactions, including Lennard-Jones type potentials $f_{n,m}^{\rm{LJ}}(r):=a r^{-n}-b r^{-m}$, $n>m$ that are widely used in Molecular Simulations. In…
We present a lattice determination of the hadronic susceptibilities that, thanks to unitarity and analyticity, constrain the form factors entering the semileptonic $b\rightarrow c$ transitions. We evaluate the transverse and longitudinal…
The Lennard-Jones potential is perhaps one of the most widely-used models for the interaction of uncharged particles, such as noble gas solids. The phase diagram of the classical LJ solid is known to exhibit transitions between hcp and fcc…
We obtain a phase diagram of the spin imbalanced Hubbard model on the Lieb lattice, which is known to feature a flat band in its single-particle spectrum. Using the BCS mean-field theory for multiband systems, we find a variety of…
Using fully minimized fundamental measure functionals, we investigate free energies, vacancy concentrations and density distributions for bcc, fcc and hcp hard-sphere crystals. Results are complemented by an approach due to Stillinger which…
We have computed the local electric field in a body-centered tetragonal (BCT) lattice of point dipoles via the Ewald-Kornfeld formulation, in an attempt to examine the effects of a structure transformation on the local field strength. For…
The ground-state of two-dimensional (2D) systems of classical particles interacting pairwisely by the generalized Lennard-Jones potential is studied. Taking the surface area per particle $A$ as a free parameter and restricting oneself to…
The determination of phase behavior and, in particular, the nature of phase transitions in two-dimensional systems is often clouded by finite size effects and by access to the appropriate thermodynamic regime. We address these issues using…
Phase transitions in systems described by Bose-Fermi-Hubbard model on a lattice with two nonequivalent sublattices are investigated in this work. The case of hard-core bosons is considered and pseudospin formalism is used. Phase diagrams…
We use the Gutzwiller Density Functional Theory to calculate ground-state properties and bandstructures of iron in its body-centered-cubic (bcc) and hexagonal-close-packed (hcp) phases. For a Hubbard interaction $U=9\, {\rm eV}$ and…
We analyse the ground-state quantum phase diagram of hardcore Bosons interacting with repulsive dipolar potentials. The bosons dynamics is described by the extended-Bose-Hubbard Hamiltonian on a two-dimensional lattice. The ground state…
Phase transitions are commonly held to occur only in the thermodynamical limit of large number of system components. Here we exemplify at the hand of the exactly solvable Jaynes-Cummings (JC) model and its generalization to finite…
We use a transfer-matrix method to study the disorder-induced metal-insulator transition. We take isotropic nearest- neighbor hopping and an onsite potential with uniformly distributed disorder. Following previous work done on the simple…