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When electrons in a solid are excited with light, they can alter the free energy landscape and access phases of matter that are beyond reach in thermal equilibrium. This accessibility becomes of vast importance in the presence of phase…

To understand the pressure-induced changes in the electronic structure and the electron-phonon interaction in yttrium, we have studied hexagonal close-packed (hcp) yttrium, stable at ambient pressure and double hexagonal close-packed (dhcp)…

Among the stationary configurations of the Hamiltonian of a classical O$(n)$ lattice spin model, a class can be identified which is in one-to-one correspondence with all the the configurations of an Ising model defined on the same lattice…

The stress caused by vortices in tetragonal superconductors contributes to the intervortex interaction which depends on vortex orientation within the crystal, on elastic moduli, and is attractive within certain angular regions even in…

A theory for conduction electron scattering by inhomogeneous crystal lattice strains is developed, based on the differential geometric treatment of deformations in solids. The resulting fully covariant Schr\"odinger equation shows that the…

The effects of doping on a one-dimensional wire in a charge density wave state are studied using the density-matrix renormalization group method. We show that for a finite number of extra electrons the ground state becomes conducting but…

We present a thorough analysis of the electron density distribution (shape) of two electrons, confined in the three-dimensional harmonic oscillator potential, as a function of the perpendicular magnetic field.Explicit algebraic expressions…

We study the uniformly weighted ensemble of force balanced configurations on a triangular network of nontensile contact forces. For periodic boundary conditions corresponding to isotropic compressive stress, we find that the probability…

Density functional theory can be extended to excited states by means of a unified variational approach for passive state ensembles. This extension overcomes the restriction of the typical density functional approach to ground states, and…

Ab initio density functional theory has been used to analyze flexural modes, elastic constants, and atomic corrugations on single and bi-layer graphene. Frequencies of flexural modes are sensitive to compressive stress; its variation under…

Several new classes of compounds can be modeled in first approximation by electrons on the triangular lattice that interact through on-site repulsion $U$ as well as nearest-neighbor repulsion $V$. This extended Hubbard model on a triangular…

Elastic effects due to lattice strain modify the local equilibrium condition at the solid-solid interface compared to the classical dendritic growth. Both, the thermal and the elastic fields are eliminated by the Green's function techniques…

The extended Hubbard Hamiltonian is a widely accepted model for uncovering the effects of strong correlations on the phase diagram of low-dimensional systems, and a variety of theoretical techniques have been applied to it. In this paper…

Directional solidification of lamellar eutectic structures submitted to uniaxial stress is investigated. In the spirit of an approximation first used by Jackson and Hunt, we calculate the stress tensor for a two-dimensional crystal with…

Understanding the non-equilibrium behavior of stainless steel under extreme electronic excitation remains a critical challenge for laser processing and radiation science. We employ a hybrid framework integrating density-functional tight…

Electron-like carriers in bismuth are described by the Dirac Hamiltonian, with a band mass becoming a thousandth of the bare electron mass along one crystalline axis. The existence of three anisotropic valleys offers electrons an additional…

Stochastic density functional theory is applied to analyze the conductivity of strong two species electrolytes at arbitrary field strengths. The corresponding stochastic equations for the density of the electrolyte species are solved by…

We formulate a general theory of the dielectric response of a lattice with a structural transition and a polarization instability due to a soft-optic mode coupled to low energy electronic excitations by the electromagnetic fields. the…

The possibility of an inhomogeneous charge density wave phase is investigated in a system of two coupled electron and hole monolayers separated by a hexagonal boron nitride insulating layer. The charge density wave state is induced through…

Mechanical and elastic properties of materials are among the most fundamental quantities for many engineering and industrial applications. Here, we present a formulation that is efficient and accurate for calculating the elastic and bending…