Related papers: First principles evaluation of phase stability in …
$\alpha$-Sn is an elemental topological material, whose topological phases can be tuned by strain and magnetic field. Such tunability offers a substantial potential for topological electronics. However, InSb substrates, commonly used to…
By combining different ideas, a general and efficient protocol to deal with discontinuous phase transitions at low temperatures is proposed. For small $T$'s, it is possible to derive a generic analytic expression for appropriate order…
We study the mean-field static solution of the Blume-Emery-Griffiths-Capel model with quenched disorder, an Ising-spin lattice gas with quenched random magnetic interaction. The thermodynamics is worked out in the Full Replica Symmetry…
Tin-chalcogenides SnX (X = Te, Se and S) have been arousing research interest due to their thermoelectric physical properties. The two-dimensional (2D) counterparts, which are expected to enhance the property, nevertheless, have not been…
The emerging interest in tin-halide perovskites demands a robust understanding of the fundamental properties of these materials starting from the earliest steps of their synthesis. In a first-principles work based on time-dependent…
An effective Hamiltonian for the ferroelectric transition in $PbTiO_3$ is constructed from first-principles density-functional-theory total-energy and linear-response calculations through the use of a localized, symmetrized basis set of…
The structural, electronic and the bonding properties of the Sn-BEA are investigated by using the periodic density functional theory. Each of the 9 different T-sites in the BEA were substituted by the Sn atom and all the 9 geometries were…
A new method that characterizes thermal properties during a first-order phase transition is described. The technique consists in exciting the sample by a series of constant frequency thermal pulses which one in every N pulses (N is a small…
The structural, electronic, elastic and optical properties of tetragonal (P4mm) phase of Pb0.5Sn0.5TiO3 (PSTO) and Pb0.5Sn0.5Ti0.5(Zr0.5)O3 (PSTZO) are examined by first-principles calculations based on the density functional theory (DFT)…
We address the possibility of realizing Bose-Einstein condensation as a first-order phase transition by admixture of particles of different species. To this aim we perform a comprehensive analysis of phase diagrams of two-component mixtures…
On the basis of Bethe ansatz solution of two-component bosons with SU(2) symmetry and $\delta$-function interaction in one dimension, we study the thermodynamics of the system at finite temperature by using the strategy of thermodynamic…
Recently, the two dimensional (2D) materials have become a potential candidates for various technological applications in spintronics and optoelectronics. In the present study, the structural, electronic, and phase stability of 2D layered…
The dynamics of first order phase transitions are studied in the context of (3+1)-dimensional scalar field theories. Particular attention is paid to the question of quantifying the strength of the transition, and how `weak' and `strong'…
Experimental nuclear level densities at excitation energies below the neutron threshold follow closely a constant-temperature shape. This dependence is unexpected and poorly understood. In this work, a fundamental explanation of the…
We analyze the thermodynamics of spherically symmetric thin-shell solutions to Einstein's equations, including solutions with negative interior mass. We show the inclusion of such solutions is essential for the thermodynamic consistency of…
The overall solid-to-solid phase transformation kinetics under non-isothermal conditions has been modeled by means of a differential equation method. The method requires provisions for expressions of the fraction of the transformed phase in…
CsSnI3 is a promising eco-friendly solution for energy harvesting technologies. It exists at room temperature in either a black perovskite polymorph or a yellow 1D double-chain, which irreversibly deteriorates in the air. In this work, we…
We develop a unified view of topological phase transitions (TPTs) in solids by revising the classical band theory with the inclusion of topology. Re-evaluating the band evolution from an "atomic crystal" [a normal insulator (NI)] to a solid…
We investigate stability issues for steady states of the spherically symmetric Einstein-Vlasov system numerically in Schwarzschild, maximal areal, and Eddington-Finkelstein coordinates. Across all coordinate systems we confirm the…
We analyze the possible transition patterns exhibited by an effective non-relativistic field model describing interacting binary homogeneous dilute Bose gases whose overall potential is repulsive. We evaluate the temperature dependence of…