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In this paper we have systematically studied the electronic instability of pressured black phosphorous (BP) under strong magnetic field. We first present an effective model Hamiltonian for pressured BP near the Lifshitz point. We show that…
Electronic phases that lie outside the equilibrium ground state offer a route to explore competing configurations in correlated materials. In 1T-TaS2, ultrafast excitation accesses a metallic hidden phase that is distinct from the…
Pressure-induced superconductivity and structural phase transitions in phosphorous (P) are studied by resistivity measurements under pressures up to 170 GPa and fully $ab-initio$ crystal structure and superconductivity calculations up to…
The $\delta f$ particle-in-cell algorithm has been a useful tool in studying the physics of plasmas, particularly turbulent magnetized plasmas in the context of gyrokinetics. The reduction in noise due to not having to resolve the full…
A systematic modification of the entropy trajectory $S_m(T)$ is observed at very low temperature in magnetically frustrated systems as a consequence of the constraint $S_m\geq 0$ imposed by the third law of thermodynamics. The lack of…
Understanding the partitioning of turbulent energy between ions and electrons in weakly collisional plasmas is crucial for the accurate interpretation of observations and modelling of various astrophysical phenomena. Many such plasmas are…
The entanglement entropy of the $\nu = 1/3$ and $\nu = 5/2$ quantum Hall states in the presence of short range random disorder has been calculated by direct diagonalization. A microscopic model of electron-electron interaction is used,…
By combining the local density approximation (LDA) with dynamical mean field theory (DMFT), we report a systematic analysis of the spectral properties of $\delta$-plutonium with varying $5f$ occupancy. The LDA Hamiltonian is extracted from…
The thermodynamic stabilities of various phases of the nitrides of the platinum metal elements are systematically studied using density functional theory. It is shown that for the nitrides of Rh, Pd, Ir and Pt two new crystal structures, in…
Extensive body of work has shown that for the model of a non-interacting electron in a random potential there is a quantum critical point for dimensions greater than two---a metal-insulator transition. This model also plays an important…
We build a comprehensive methodology for the fast computation of entropy across both solid and liquid phases. The proposed method utilizes a single trajectory of molecular dynamics (MD) to facilitate the calculation of entropy, which is…
We present a numerical study of a quantum phase transition from a spin-polarized to a topologically ordered phase in a system of spin-1/2 particles on a torus. We demonstrate that this non-symmetry-breaking topological quantum phase…
The discovery of quasicrystals phases and approximants in Al(rich)-Mn system has revived the interest for complex aluminides containing transition-metal atoms. On one hand, it is now accepted that the Hume-Rothery stabilization plays a…
In the present paper which is a sequel to [N.B. Volkov and A.M. Iskoldsky The dynamics of vortex structures and states of current: 1;[1]], the dynamics of non-equilibrium phase transitions and states of current in electrophysical systems…
Plutonium dioxide is of high technological importance in nuclear fuel cycle and is particularly crucial in long-term storage of Pu-based radioactive waste. Using first-principles density-functional theory, in this paper we systematically…
The electronic structure of Samarium (Sm) was calculated using the density functional theory combined with the single-site dynamical mean-field theory. In this work, we investigated the electronic properties of {\alpha}, \b{eta} and…
The results of electronic structure calculations for a variety of palladium hydrides are presented. The calculations are based on density functional theory and used different local and semilocal approximations. The thermodynamic stability…
Interplay of Coulomb interaction energy, free ion entropy, and conformational elasticity is a fascinating aspect in polyelectrolytes (PEs). We develop a theory for complexation of two oppositely charged PEs, a process known to be the…
To quickly screen for single-phased multi-principal-element materials, a so-called entropy forming ability (EFA) parameter is sometimes used as a descriptor. The higher the EFA, the higher is the propensity to form a single-phase structure,…
A static self-gravitating electrically charged spherical thin shell embedded in a (3+1)-dimensional spacetime is used to study the thermodynamic and entropic properties of the corresponding spacetime. Inside the shell, the spacetime is…