相关论文: A phonon irreducible representations calculator
We have developed a Mathematica program package SpaceGroupIrep which is a database and tool set for irreducible representations (IRs) of space group in BC convention, i.e. the convention used in the famous book "The mathematical theory of…
Topological insulators, first observed in electronic systems, have inspired many analogues in photonic and phononic crystals in which remarkable one-way propagation edge states are supported by topologically nontrivial bandgaps. Such…
We present IrRep - a Python code that calculates the symmetry eigenvalues of electronic Bloch states in crystalline solids and the irreducible representations under which they transform. As input it receives bandstructures computed with…
We present an open-source program irvsp, to compute irreducible representations of electronic states for all 230 space groups with an interface to the Vienna ab-initio Simulation Package. This code is fed with plane-wave-based wavefunctions…
We present graphic results with high-levels of abstraction to desribe the basic principles and rules of thumb for acoustic or phononic band-gap engineering. We use these rules for developing an improved machien mount for damping acoustic…
This work provides the community with an easily executable open-source Python package designed to automize the evaluation of Interfacial Phonons (InterPhon). Its strategy of arbitrarily defining the interfacial region and periodicity…
We introduce a program named KPROJ that unfolds the electronic and phononic band structure of materials modeled by supercells. The program is based on the $\textit{k}$-projection method, which projects the wavefunction of the supercell onto…
While "Dirac cone" dispersions can only be meaningfully defined in two dimensional (2D) systems, the notion of a Dirac point can be extended to three dimensional (3D) classical wave systems. We show that a simple cubic photonic crystal…
In this paper we present a Graphical Processing Unit accelerated mixed variational formulation for fast phononic band-structure calculation of arbitrarily complex unit cells and report speed gains of a hundred fold over unoptimized serial…
Bloch wavefunctions in solids form a representation of crystalline symmetries. Recent studies revealed that symmetry representations in band structure can be used to diagnose the topological properties of weakly interacting materials. In…
We revisit the problem that relevant parts of bandstructures for a given cell choice can reflect exact or approximate higher symmetries of subsystems in the cell and can therefore be significantly simplified by an unfolding procedure that…
The simulation of fermionic relativistic physics, e.g., Dirac and Weyl physics, has led to the discovery of many unprecedented phenomena in photonics, of which the optical-frequency realization is, however, still challenging. Here,…
In its most general formulation a quantum kinematical system is described by a Heisenberg group; the "configuration space" in this case corresponds to a maximal isotropic subgroup. We study irreducible models for Heisenberg groups based on…
Unconventional chiral particles have recently been predicted to appear in certain three dimensional (3D) crystal structures containing three- or more-fold linear band degeneracy points (BDPs). These BDPs carry topological charges, but are…
Two-dimensional ternary locally resonant phononic crystals used to consist of cylindrical scatterers with uniform coatings in their exterior. An alternative coating scheme with a comblike profile is proposed and investigated in this letter.…
A point group is a set of spatial symmetry operations in molecular systems and is an indispensable tool for analyzing molecular orbitals and spectroscopy experiments in chemistry. Several quantum algorithms to exploit this symmetry have…
We present an algorithm for the determination of the local symmetry group for arbitrary k-points in 3D Brillouin zones. First, we test our implementation against tabulated results available for standard high-symmetry points (given by…
We provide a new tableau model from which one can easily deduce the characters of finite-dimensional irreducible polynomial representations of the special orthogonal group $SO_n(\mathbb{C})$. This model originates from the representation…
The PyProcar Python package plots the band structure and the Fermi surface as a function of site and/or s,p,d,f - projected wavefunctions obtained for each $k$-point in the Brillouin zone and band in an electronic structure calculation.…
A method is developed to construct irreducible representations(irreps) of the quantum supergroup $U_q(C(n+1))$ in a systematic fashion. It is shown that every finite dimensional irrep of this quantum supergroup at generic $q$ is a…