相关论文: Structures of group-15 elemental solids from an ef…
Lattices with a basis can host crystallographic defects which share the same topological charge (e.g.~the Burgers vector $\vec b$ of a dislocation) but differ in their microscopic structure of the core. We demonstrate that in insulators…
We construct a simple model for electrons in a three-dimensional crystal where a combination of short-range hopping and spin-orbit coupling results in nearly flat bands characterized by a non-trivial Z2 topological index. The flat band is…
By means of a multi-scale first-principles approach, a description of the local electronic structure of two-dimensional and narrow phosphorene sheets with various types of modifications is presented. First, a rational argument based on the…
A space-periodic ground state is shown to exist for lattices of smeared ions in $\R^3$ coupled to the Schr\"odinger and scalar fields. The elementary cell is necessarily neutral. The 1D, 2D and 3D lattices in $\R^3$ are considered, and a…
Ground-state properties of fermionic mixtures confined in a one-dimensional optical lattice are studied numerically within the spinless Falicov-Kimball model with a harmonic trap. A number of remarkable results are found. (i) At low…
We examine a class of Hamiltonians characterized by interatomic, interorbital even-odd parity hybridization as a model for a family of topological insulators without the need for spin-orbit coupling. Non-trivial properties of these…
We classify the ground states and topological defects of a rotating two-component condensate when varying several parameters: the intracomponent coupling strengths, the intercomponent coupling strength and the particle numbers.No…
We discuss the ground state properties of a spin 1/2 magnetic ion with threefold $t_{2g}$ orbital degeneracy on a highly frustrated pyrochlore lattice, like Ti$^{3+}$ ion in B-spinel MgTi$_2$O$_4$. We formulate an effective spin-orbital…
Noncollinear and noncoplanar spin textures in solids manifest themselves not only in their peculiar magnetism but also in unusual electronic and transport properties. We here report our theoretical studies of a noncoplanar order on a simple…
We study the ground state properties of the interacting spinless fermions in the $p_{x,y}$-orbital bands in the two dimensional honeycomb optical lattice, which exhibit different novel features from those in the $p_z$-orbital system of…
Delamination is a critical mode of failure that occurs between plies in a composite laminate. The cohesive element, developed based on the cohesive zone model, is widely used for modeling delamination. However, standard cohesive elements…
This paper proposes an isogeometric boundary element method (IGBEM) to solve the electromagnetic scattering problems for three-dimensional doubly-periodic multi-layered structures. The main concerns are the constructions of (i) an open…
In quantum magnetism spin dimers are typically associated with spin-singlet states. To date, $triplet$ $dimerization$ has not been observed in any 3D or quasi-2D material. With this in mind we here discuss the electronic structure of the…
We investigate the emergence of rigid polycrystalline structures from atomistic particle systems. The atomic interaction is governed by a suitably normalized pair interaction energy, where the `sticky disk' interaction potential models the…
Twist-engineering of topological phases in two-dimensional materials offers a powerful route to modulate electronic structure beyond conventional strain or chemical control. In particular, group 15 (pnictogens) monolayers such as bismuthene…
We propose a simple model of charge and/or magnetic order formation in systems containing both localized and itinerant electrons coupled by the on-site, spin-dependent interaction that represents Coulomb repulsion and Hund's rule (a…
Special arrangements of atoms with more than one atom per unit cell, including honeycomb or kagome (woven bamboo mat) lattices, can host propagating excitations with non-trivial topology as defined by their evolution along closed paths in…
At the triple point of a repulsive screened Coulomb system, a face-centered-cubic (fcc) crystal, a body-centered-cubic (bcc) crystal and a fluid phase coexist. At their intersection, these three phases form a liquid groove, the triple…
We perform a theoretical study of a non-collinear Ising ferrimagnetic spin chain inspired by the compound Co(hfac)2NITPhOMe. The basic building block of its structure contains one Cobalt ion and one organic radical each with a spin 1/2. The…
The theoretical need to study the properties of the Fe-based high-T_c superconductors with reliable many-body techniques requires us to determine the minimum number of orbital degrees of freedom that will capture the physics of these…