相关论文: Third-generation muffin-tin orbitals
Berry curvature physics and quantum geometric effects have been instrumental in advancing topological condensed matter physics in recent decades. Although Landau level-based flat bands and conventional 3D solids have been pivotal in…
The combination of magnetism and topology in magnetic topological insulators (MTIs) has led to unprecedented advancements of time reversal symmetry-breaking topological quantum physics in the past decade. Compared with the uniform films,…
Motivated by recent results of $N$th order muffin-tin orbital (NMTO) implementation of the density functional theory (DFT), we re-examine low-temperature ground-state properties of the anti-ferromagnetic insulating phase of vanadium…
We consider $\mathbb{R}^3$ as a homogeneous manifold for the action of the motion group given by rotations and translations. For an arbitrary $\tau\in \widehat{SO(3)}$, let $E_\tau$ be the homogeneous vector bundle over $\mathbb{R}^3$…
Using $t_{2g}$ Wannier-functions, a low-energy Hamiltonian is derived for orthorhombic $3d^{1}$ transition-metal oxides. Electronic correlations are treated with a new implementation of dynamical mean-field theory for non-cubic systems.…
Recent realizations of exotic topological states in condensed matter and cold atoms have advanced the exploration for topological characteristics, such as invariant topological orders and band inversion. Here we construct a 1D optical…
Molecular orbital (MO) is one of the most fundamental concepts for molecules, relating to all branches of chemistry, while scanning tunneling microscopy (STM) has been widely recognized for its potential to measure the spatial distribution…
We investigate the twist-$3$ transverse-momentum-dependent parton distribution functions (TMDs) of the pion with basis light-front quantization. The twist-3 TMDs are not independent and can be decomposed into twist-$2$ and genuine twist-$3$…
The recent discovery of higher-order topological insulators (TIs) has opened new possibilities in the search for novel topological materials and metamaterials. Second-order TIs have been implemented in two-dimensional (2D) systems…
Quantum computing is arguably one of the most revolutionary and disruptive technologies of this century. Due to the ever-increasing number of potential applications as well as the continuing rise in complexity, the development, simulation,…
We have examined a method of direct extraction of accurate tight-binding parameters from an ab-initio band-structure calculation. The linear muffin-tin potential method, in its full-potential implementation, has been used to provide the…
Multi-soliton pulses are potential candidates for fiber optical transmission where the information is modulated and recovered in the so-called nonlinear Fourier domain. While this is an elegant technique to account for the channel…
We investigate the band structure of chromium nitride using the $N$th-order muffin-tin orbitals (NMTO) based downfolding technique. We obtain downfolded Cr $d$ bands including both $e_{g}$ and $t_{2g}$ states and the hopping integrals of…
Multi-soliton pulses are potential candidates for fiber optical transmission where the information is modulated and recovered in the so-called nonlinear Fourier domain. While this is an elegant technique to account for the channel…
The problem of construction of the Wannier functions (WFs) in a restricted Hilbert space of eigenstates of the one-electron Hamiltonian $\hat{H}$ (forming the so-called low-energy part of the spectrum) can be formulated in several different…
We present a three-band tight-binding (TB) model for describing the low-energy physics in monolayers of group-VIB transition metal dichalcogenides $MX_2$ ($M$=Mo, W; $X$=S, Se, Te). As the conduction and valence band edges are predominantly…
Qubits are the fundamental units in quantum computing, but they are also pivotal for advancements in quantum communication and sensing. Currently, there are a variety of platforms for qubits, including cold atoms, superconducting circuits,…
Modular categories are a well-known source of quantum 3-manifold invariants. In this paper we study structures on modular categories which allow to define refinements of quantum 3-manifold invariants involving cohomology classes or…
Topological magnetic lattices offer a fertile ground for exploring fundamental physics and developing novel spintronic devices. However, current research is predominantly confined to single-Q topologies hosting uniform type of…
Non-Abelian topological order (TO) enables topologically protected quantum computation with its anyonic quasiparticles. Recently, TO with $S_3$ gauge symmetry was identified as a sweet spot -- simple enough to emerge from finite-depth…