Related papers: Third-generation muffin-tin orbitals
Over the last two decades, the new branch of spintronics, i.e., semiconductor spintronics, has gained more attention because it integrates the characteristics of conventional semiconductors, such as optical bandgap and charge carriers,…
The Mathieu twisted twining genera, i.e. the analogues of Norton's generalised Moonshine functions, are constructed for the elliptic genus of K3. It is shown that they satisfy the expected consistency conditions, and that their behaviour…
Epitaxial thin films of multiferroic perovskite BiMnO3 were synthesized on SrTiO3 substrates, and orbital ordering and magnetic properties of the thin films were investigated. The ordering of the Mn^{3+} e_g orbitals at a wave vector (1/4…
Contrary to previous studies that classify Na2IrO3 as a realization of the Heisenberg-Kitaev model with dominant spin-orbit coupling, we show that this system represents a highly unusual case in which the electronic structure is dominated…
The interplay of spin and orbital degrees of freedom offers a versatile playground for the realization of a variety of correlated phases of matter. However, the types of spin-orbital interactions are often limited and challenging to tune.…
Motivated by recent experiments demonstrating the creation of atomically sharp interfaces between hexagonal sapphire and cubic SrTiO$_3$ with finite twist, we here develop and study a general electronic band theory for this novel class of…
Wannier tight-binding models are effective models constructed from first-principles calculations. As such, they bridge a gap between the accuracy of first-principles calculations and the computational simplicity of effective models. In this…
A simple theoretical method for deducing the effective bond-orbital model (EBOM) of III-nitride wurtzite (WZ) semiconductors is presented. In this model, the interaction parameters for zinc-blende (ZB) structures are used as an initial…
Advances in material fabrication techniques and growth methods have opened up a new chapter for twistronics, in the form of twisted freestanding three-dimensional material membranes. Through first-principles calculations based on density…
A twist between two systems offers the possibility to drastically change the underlying physical properties. To that end, we study the bandstructure of twisted moir\'e potentials in detail. At sets of commensurate twisting angles, the low…
Topological qubits based on $SU(N)$-symmetric valence-bond solid models are constructed. A logical topological qubit is the ground subspace with two-fold degeneracy, which is due to the spontaneous breaking of a global parity symmetry. A…
We collect evidences on existence of microscopic solitons, and their determining role in electronic processes of quasi-1D conductors. The ferroelectric charge ordering gives access to several types of solitons in conductivity and…
For a class of 2D hybrid organic-inorganic perovskite semiconductors based on $\pi$-conjugated organic cations, we predict quantitatively how varying the organic and inorganic component allows control over the nature, energy and…
Topological phases, such as Chern insulators, are defined in terms of additive indices that are stable against the addition of trivial degrees of freedom. Such topology presents an obstruction to any Wannier representation, namely, the…
Conventional two-dimensional electron gases are realized by engineering the interfaces between semiconducting compounds. In 2004, Ohtomo and Hwang discovered that an electron gas can be also realized at the interface between large gap…
Topological insulator (TI) represents an unconventional quantum phase of matter with insulating bulk bandgap and metallic surface states. Recent theoretical calculations and photoemission spectroscopy measurements show that Group V-VI…
Magnetic topological insulators (MTIs) offer a combination of topologically nontrivial characteristics and magnetic order and show promise in terms of potentially interesting physical phenomena such as the quantum anomalous Hall (QAH)…
From the order-N electronic-structure formulation, a Hamiltonian is derived, of which lowest eigen state is the generalized or composite-band Wannier state. This Hamiltonian maps the locality of the Wannier state to that of a virtual…
The emergence of topologically non-trivial flat bands in moir\'e materials provides an opportunity to explore the interplay between topological physics and correlation effects, leading to the recent experimental realization of interacting…
Topological phases play a crucial role in the fundamental physics of light-matter interaction and emerging applications of quantum technologies. However, the topological band theory of waveguide QED systems is known to break down, because…