Related papers: Spin-Orbit Coupling in an f-electron Tight-Binding…
We present a relativistic spin-fermion model for the cuprates, in which both the charge and spin degrees of freedom are treated dynamically. The spin-charge coupling parameter is associated with the doping fraction. The model is able to…
In computational chemistry of molecular materials, strong static correlation effects appear when electronic states, often involving the ground state, become quasi-degenerate, as occurs, for example, in bond-breaking processes. Such…
We present a controlled method for computing the exchange coupling in strongly correlated one-dimensional electron systems. It is based on the asymptotically exact relation between the exchange constant and the pair-correlation function of…
We present a general form of the effective spin-chain model for strongly interacting atomic gases with an arbitrary spin in the one-dimensional(1D) traps. In particular, for high-spin systems the atoms can collide in multiple scattering…
A structural model of hydrogenated amorphous silicon containing an isolated dangling bond is used to investigate the effects of electron interactions on the electronic level splittings, localization of charge and spin, and fluctuations in…
We investigate the one-dimensional Hubbard model with an additional bond-charge interaction, recently considered in the description of compounds that exhibit strong 1D features above the temperature of ordered phases. The partition function…
Studying optical properties of organic materials is important due to the rapid development of organic light-emitting diodes, solar cells, and photon detectors. Here for the first time we have performed tight-binding calculations for singlet…
Spin-orbit coupling plays an increasingly important role in the modern condensed matter physics. For instance, it gives birth to topological insulators and topological superconductors. Quantum simulation of spin-orbit coupling using…
We investigate the role played by the electron spin and the spin-orbit interaction on the exceptional electronphonon coupling at the Tl/Si(111) surface. Our first-principles calculations demonstrate that the particular spin pattern of this…
Magnetic properties of stechiometric YTiO3 has been calculated within the single-ion-based paradigm taking into account the low-symmetry crystal field and the intra-atomic spin-orbit coupling of the Ti3+ ion. Despite of the very simplified…
The superconducting order parameter of strontium ruthenate is the center of a lasting puzzle calling for theoretical studies that include the seldom-considered effects of spin-orbit coupling and the frequency-dependence of the order…
Electrically addressing spin systems is predicted to be a key component in developing scalable semiconductor-based quantum processing architectures, to enable fast spin qubit manipulation and long-distance entanglement via microwave…
Kitaev interactions underlying a quantum spin liquid have been long sought, but experimental data from which their strengths can be determined directly is still lacking. Here, by carrying out inelastic neutron scattering measurements on…
In the empirical tight-binding approach we study the electronic states in spherical SiGe nanocrystals embedded in SiO2 matrix. The energy and valley structure is obtained as a function of Ge composition and nanocrystal size. The…
Empirical tight binding(ETB) methods are widely used in atomistic device simulations. Traditional ways of generating the ETB parameters rely on direct fitting to bulk experiments or theoretical electronic bands. However, ETB calculations…
Ferromagnetic couplings in spin clusters are shown to be strongly enhanced compared to those for an ordered impurity arrangement, even for the same spin separation and hole doping. The consequent energy-enhancement of the cluster-localized…
We have performed full-relativistic density functional theory calculations to study the geometry and binding energy of different isomers of free platinum clusters Pt$_{n}$ ($n=4-6$) within the spin multiplicities from singlet to nonet. The…
We obtain an effective parametrization of the bulk electronic structure of InP within the Tight Binding scheme. Using these parameters, we calculate the electronic structure of InP clusters with the size ranging upto 7.5 nm. The calculated…
We present first-principles multiband spin susceptibility calculations within the random-phase approximation for four isostructural superconducting PuCoIn$_5$, PuCoGa$_5$, PuRhGa$_5$, and nonsuperconducting UCoGa$_5$ actinides. The results…
Ultracold atomic gases provide a novel platform with which to study spin-orbit coupling, a mechanism that plays a central role in the nuclear shell model, atomic fine structure and two-dimensional electron gases. This paper introduces a…