相关论文: On the Ground State of the U-Mo System

The ground-state phase diagram of the asymmetric Hubbard model is studied in one and two dimensions by a well-controlled numerical method. The method allows to calculate directly the probabilities of particular phases in the approximate…

As a continuation of [14], we study new pattern formations of ground states $(u_1,u_2)$ for two-component Bose-Einstein condensates (BEC) with homogeneous trapping potentials in $R^2$, where the intraspecies interaction $(-a,-b)$ and the…

Using an efficient cluster approach, we study the physics of two-dimensional lattice bosons in a strong magnetic field in the regime where the tunneling is much weaker than the on-site interaction strength. We study both dilute, hard core…

The phase-field method has become in recent years the method of choice for simulating microstructural pattern formation during solidification. One of its main advantages is that time-dependent three-dimensional simulations become feasible.…

The ground-state phase properties of a two-dimensional Bose system with dipole-dipole interactions is studied by means of quantum Monte Carlo techniques. Limitations of mean-field theory in a two-dimensional geometry are discussed. A…

We present a new approach to the evaluation of the on-site repulsion energy U for use in the LDA+U method of Anisimov and collaborators. Our objectives are to make the method more firmly based, to concentrate primarily on ground state…

Using first-principles evolutionary simulations, we have systematically investigated phase stability in the Hf-O system at pressure up to 120 GPa. New compounds Hf5O2, Hf3O2, HfO and HfO3 are discovered to be thermodynamically stable at…

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…

In the present work, we investigate the applicability of the LSDA+$U$ method in understanding the electronic and magnetic properties of a geometrically frustrated ZnV$_2$O$_4$ compound, where the delicate balance of electrons, lattice,…

With the motivation of searching for new superconductors in the Mg-B system, we performed ab initio evolutionary searches for all the stable compounds in this binary system in the pressure range of 0-200 GPa. We found previously unknown,…

Within this work, we develop a phase-field description for simulating fractures in incompressible materials. Standard formulations are subject to volume-locking when the solid is (nearly) incompressible. We propose an approach that builds…

The electronic structure of the ground and some excited states of neutral atoms with the nuclear charge numbers $1\leq Z \leq 10$ and their single positive ions are investigated by means of our 2D mesh Hartree-Fock method for strong…

As a sequel to previous work, we extend the study of the ground state configuration of the $D=3$, Wilson-Fisher conformal $O(4)$ model. In this work, we prove that for generic ratios of two charge densities, $\rho_1/\rho_2$, the…

A simple string model inspired by the strong-coupling regime of Quantum ChromoDynamics is used as a potential for studying the spectrum of multiquark systems with two quarks and two antiquarks, with a careful treatment of the four-body…

In order to elucidate the quantum ground state structure of non-relativistic condensates, we explicitly construct the ground state wave function for multiple species of bosons, describing either superconductivity or superfluidity. Since…

The persistence of $\alpha+\alpha+t$ cluster configuration in the ground state of $^{11}$B is discussed. The $\alpha$ particles emitted from excited states of $^{12}$C could be utilized for cancer treatment, where the cluster states are…

Ground-state properties of a few spin-$1/2$ ultra-cold fermions confined in a one-dimensional trap are studied by the exact diagonalization method. In contrast to previous studies, it is not assumed that the projection of a spin of…

Computational modeling of faulting processes is an essential tool for understanding earthquake mechanics but remains challenging due to the structural and material complexities of fault zones. The phase-field method has recently enabled…

A repulsive Hubbard model with both spin-asymmetric hopping (${t_\uparrow\neq t_\downarrow}$) and a staggered potential (of strength $\Delta$) is studied in one dimension. The model is a compound of the mass-imbalanced (${t_\uparrow\neq…

We study theoretically and experimentally the emergence of supersolid properties in a dipolar Bose-Einstein condensate. The theory reveals a ground state phase diagram with three distinct regimes - a regular Bose-Einstein condensate,…