相关论文: Topological Phases in Oxide Heterostructures with …
Topological phases have attracted much interest in recent years. While there are a number of three-dimensional materials exhibiting topological properties, there are relatively few two-dimensional examples aside from the well-known quantum…
We used the Hartree-Fock approximation to classify the electronic phases that might occur in a transition metal nanowire. The important features of this situation are orbital degeneracy (or near-degeneracy) and interactions favoring locally…
We estimate the prediction sensitivity with respect to Hartree-Fock exchange in approximate density functionals for representative Fe(II) and Fe(III) octahedral complexes. Based on the observation that the range of parameters spanned by the…
Twisted bilayer transition metal dichalcogenides have emerged as important model systems for the investigation of correlated electron physics because their interaction strength, carrier concentration, band structure, and inversion symmetry…
Topological crystalline insulators (TCI) possess electronic states protected by crystal symmetries, rather than time-reversal symmetry. We show that the transition metal oxides with heavy transition metals are able to support nontrivial…
The possibility to engineer the coupling of spin and valley physics is explored in ferroelectric oxide heterostructures with eg electronic configuration. We show that the polar structural distortion induces the appearance of spin-valley…
A topological superconductor features at its boundaries and vortices Majorana fermions, which are potentially applicable for topological quantum computations. The scarcity of the known experimentally verified physical systems with…
We theoretically study a multi-band Hubbard model of pyrochlore oxides of the form A$_2$B$_2$O$_7$, where B is a heavy transition metal ion with strong spin-orbit coupling, in a thin film geometry orientated along the [111] direction. Along…
We theoretically investigate the influence of internal and external strain on topological phases in (LaNiO$_3$)$_2$/(LaAlO$_3$)$_N$ heterostructures grown along the [111] direction. At the Hartree-Fock level, topological phases originate…
Transition-metal oxides have been a central subject of condensed matter physics for decades. In addition to novel electronic states driven by the influence of strong correlation, relativistic spin-orbit coupling effects have recently…
Time-dependent Hartree-Fock theory is used to describe density oscillations of symmetry-unrestricted two-dimensional nanostructures. In the small amplitude limit the results reproduce those obtained within a perturbative approach such as…
A microscopic mean-field description of heavy ions fusion is performed in the framework of the Time-Dependent Hartree-Fock (TDHF) theory using a Skyrme interaction with the SLy4d parametrization. A good agreement with experiments is…
Topological phases are characterised by a topological invariant that remains unchanged by deformations in the Hamiltonian. Materials exhibiting topological phases include topological insulators, superconductors exhibiting strong spin-orbit…
Oxide heterointerfaces constitute a rich platform for realizing novel functionalities in condensed matter. A key aspect is the strong link between structural and electronic properties, which can be modified by interfacing materials with…
We highlight recent advances in the theory, materials fabrication, and experimental characterization of strongly correlated and topological states in [111] oriented transition metal oxide thin films and heterostructures, which are…
We use the Hartree-Fock method to study an interacting one-dimensional electron system on a finite wire, partially depleted at the center by a smooth potential barrier. A uniform one-Tesla Zeeman field is applied throughout the system. We…
We demonstrate that the charge distributions in Hubbard-model representations of transition metal oxide heterojucntions can be described by a Thomas-Fermi theory in which the energy is approximated as the sum of the electrostatic energy and…
Topotactic transition is a structural phase change in a matrix crystal lattice mediated by the ordered loss/gain and rearrangement of atoms, leading to unusual coordination environments and metal atoms with rare valent states. As early as…
We investigate the interplay between the strong correlation and the spin-orbital coupling in the Kane-Mele-Hubbard model and obtain the qualitative phase diagram via the variational cluster approach. We identify, through an increase of the…
Perovskite structure is one of the five symmetry families suitable for exhibiting topological insulator phase. However, none of the halides and oxides stabilizing in this structure exhibit the same. Through density functional calculations…