Related papers: Relative energetics and structural properties of z…
We examine the dipole approximated Pauli-Fierz Hamiltonians of the nonrelativistic QED. We assume that the Coulomb potential of the nuclei together with the Coulomb interaction between the electrons can be approximated by harmonic…
Gamma - Iron Oxide prepared by sol -gel process was used to produce nanocomposites with polyaniline of varying aniline concentrations. TEM shows the presence of chain like structure for lower polyaniline concentration. The room temperature…
The model-potential approach previously developed by the authors to study positron interactions with molecules is used to calculate the positron binding energy for $n$-alkanes (C$_n$H$_{2n+2}$) and the corresponding cycloalkanes…
Layered systems shows anisotropic transport properties. The interlayer conductivity show a general temperature dependence for a wide class of materials. This can be understood if conduction occurs in two different channels activated at…
A new approach for calculations of Dzyaloshinskii-Moriya interactions in molecules and crystals is proposed. It is based on the exact perturbation expansion of total energy of weak ferromagnets in the canting angle with the only assumption…
We derive electronic tight-binding Hamiltonians for strained graphene, hexagonal boron nitride and transition metal dichalcogenides based on Wannier transformation of {\it ab initio} density functional theory calculations. Our microscopic…
Following a relativistic heavy ion collision, the quark-gluon plasma produced eventually undergoes a chiral phase transition. We assume that during this phase transition one can describe the dynamics of the system by the linear $\sigma$…
The interaction between a Rydberg electron and a neutral atom situated inside its extended orbit is described via contact interactions for each atom-electron scattering channel. In ultracold environments, these interactions lead to…
Electrons commonly couple through Fr\"ohlich interactions with longitudinal optical phonons to form polarons. However, trions possess a finite angular momentum and should therefore couple instead to rotational optical phonons. This creates…
Diamond is studied by path integral molecular dynamics simulations of the atomic nuclei in combination with a tight-binding Hamiltonian to describe its electronic structure and total energy. This approach allows us to quantify the influence…
The magnetic and thermodynamic properties of spin-1/2 Heisenberg diamond chains are investigated in three different cases: (a) J1, J2, J3>0 (frustrated); (b) J1, J3<0, J2>0 (frustrated); and (c) J1, J2>0, J3<0 (non-frustrated). The density…
Variational methods are used to calculate structural and thermodynamical properties of a titrating polyelectrolyte in a discrete representation. The Coulomb interactions are emulated by harmonic repulsive forces, the force constants being…
The skyrmion number density, $q\equiv\vec{n}\cdot\left(\partial_x\vec{n}\times\partial_y\vec{n}\right)/(4\pi)$, is one of the key quantities that characterizes the topological properties of a magnetic skyrmion. In this work, we propose a…
We consider the six-vertex model in an L-shaped domain of the square lattice, with domain wall boundary conditions. For free-fermion vertex weights the partition function can be expressed in terms of some Hankel determinant, or equivalently…
We present a new method to study the properties of heavy quarks at finite temperature. It combines non-relativistic QCD with an improved gluonic action on anisotropic lattices. The efficiency of the approach is demonstrated by the first…
Tight-binding Hamiltonians with single and multiple orbitals exhibit an intriguing array of magnetic phase transitions. In most cases the spin ordered phases are insulating, while the disordered phases may be either metallic or insulating.…
The stability of ferromagnetism at the surface at finite temperatures is investigated within the strongly correlated Hubbard model on a semi-infinite lattice. Due to the reduced surface coordination number the effective Coulomb correlation…
The temperature dependence of the transport properties of the metallic phase of a frustrated Hubbard model on the hypercubic lattice at half-filling are calculated. Dynamical mean-field theory, which maps the Hubbard model onto a single…
Modifications of baryon properties due to the restoration of the chiral symmetry in an external hot and dense baryon medium are investigated in an effective chiral quark-meson theory. The nucleon arises as a soliton of the Gell-Mann -…
Phonon quasi-particles have been monumental in microscopically understanding thermodynamics and transport properties in condensed matter for decades. Phonons have one-to-one correspondence with harmonic eigenstates and their energies are…