相关论文: A two-dimensional hexagonal sheet of TiO$_2$
We investigate the two-dimensional Hubbard model on the triangular lattice with anisotropic hopping integrals at half filling. By means of a self-energy functional approach, we discuss how stable the non-magnetic state is against…
Layered two-dimensional (2D) materials exhibit unique properties, expanding opportunities in material design. We investigate MX$_2$ transition metal dichalcogenides (TMDCs) (M = Mo, W; X = S, Se, Te) in homo- and heterobilayers with…
We study the ground-state phase diagram of the quantum $J_1-J_2$ model on the honeycomb lattice by means of an entangled-plaquette variational ansatz. Values of energy and relevant order parameters are computed in the range $0\le…
In this paper, we study Bose-Hubbard models on the square and honeycomb lattices with complex hopping amplitudes, which are feasible by recent experiments of cold atomic gases in optical lattices. To clarify phase diagrams, we use an…
The marriage between a two-dimensional layered material (2DLM) and a complex transition metal oxide (TMO) results in a variety of physical and chemical phenomena that would not have been achieved in either material alone. Interesting recent…
Two dimensional (2D) layered materials have recently gained renewed interest due to their exotic electronic properties along with high specific surface area. The prospects of exploiting these properties in sensing, catalysis, energy…
Two-dimensional artificial magnetic honeycomb lattice is at the forefront of research on unconventional magnetic materials. Among the many emergent magnetic phases that are predicted to arise as a function of temperature, the low…
Rutile RuO$_2$ has attracted great interest recently, as its magnetic ground state remains controversial. Experimental studies have reported either nonmagnetic or altermagnetic (AM) ground states in different crystalline samples of RuO$_2$,…
We revisit the phase diagram of BaTiO$_3$ under biaxial strain using a first principles-based effective Hamiltonian approach. We show that, in addition to the tetragonal ($c$), quasi-rhombohedral ($r$), and quasi-orthorhombic ($aa$)…
Comparison is made of the electronic structure of the little-studied layered transition metal oxide LiNbO$_2$ with that of Na$_x$CoO$_2$, which has attracted tremendous interest since superconductivity was discovered in its hydrate.…
The ability in experiments to control the relative twist angle between successive layers in two-dimensional (2D) materials offers a new approach to manipulating their electronic properties; we refer to this approach as "twistronics". A…
We employ a plaquette basis-generated by coupling the four spins in a $2\times2$ lattice to a well-defined total angular momentum-for the study of Heisenberg ladders with antiferromagnetic coupling. Matrix elements of the Hamiltonian in…
Using a fast and accurate neural network potential we are able to systematically explore the energy landscape of large unit cells of bulk magnesium oxide with the minima hopping method. The potential is trained with a focus on the…
The ground-state of two-dimensional (2D) systems of classical particles interacting pairwisely by the generalized Lennard-Jones potential is studied. Taking the surface area per particle $A$ as a free parameter and restricting oneself to…
Using first-principal density functional theory (DFT) we explained the importance of pseudopotential for decribing the electronic and vibrational properties of rutile TiO2 (R-TiO2). Calculations were performed using the generalized gradient…
Exploring new two-dimensional (2D) van der Waals (vdW) systems is at the forefront of materials physics. Here, through molecular beam epitaxy on graphene-covered SiC(0001), we report successful growth of AlSb in the double-layer honeycomb…
We predict the existence of new two dimensional silicon carbide nanostructure employing ab initio density-functional theory calculations. These structures are composed of tetragonal and hexagonal rings with C-C and Si-C bonds arranged in a…
We explicitly show that the differences, with respect to the appearance of topological phases, between the traditional Haldane model, which utilises a honeycomb lattice structure, to that of the Haldane model imbued onto a brick-wall…
We study the ground-state properties of ultracold bosonic atoms in a state-dependent graphene-like honeycomb optical lattice, where the degeneracy between the two triangular sublattices A and B can be lifted. We discuss the various…
The Kitaev model predicts that quantum spin liquids (QSLs) will form at low temperatures under certain special conditions, and materials hosting the QSL state are frequently sought. The layered honeycomb lattice material {\alpha}-RuCl3 has…