tbpy package

Module

class tbpy.tb_model(dim_k, dim_r, lat=None, orb=None, per=None, nspin=1)

Bases: object

Get the band struct with tight-binding model

Parameters

dim_kint

Dimension of reciprocal space, which specifies how many directions are considered to be periodic.

dim_rint

Dimension of real space, which specifies how many real space vectors are needed to get the coordinates of sites.

latarray of floats

Lattice vectors in Cartesian coordinates, eg,[[1.0,0.0],[0.0,1.0]] in 2D situation.

orbarray of floats

Orbtial coordinates (sites coordinates in unit cell) in reduced coordinates.

perlist of ints

Indices which specifies which lattice vectors considered to be periodic. By defalt, all directions are periodic.

nspinint

Number of spin components for each orbitals. If nspin is 1, then the model is spinless, if nspin is 2, then it is spinful. By defalt, this parameter is 1.

Attributes

_dim_k

_dim_r

_lat

_orb

_per

_nspin

_norbint

The number of orbitals

_nstaint

Number of states for each k-point, which equals orb*nspin.

_onsite_enarray of floats

Onsite energy for each orbital, by defalt, it is zero.

_onsite_en_specarray of bools

An array of bools to specify

_hoppinglist

_hopping_specbool

Methods

set_onsite(onsite_en[, ind_i, mode])

Define on-site energy for tight-biding models.

display
get_nsta
k_path
set_hop
solve_all
solve_one

display(self)

get_nsta(self)

k_path(self, hspts, nk, report=True)

set_hop(self, hop_amp, ind_i, ind_j, ind_R=None, mode='set')

classmethod set_onsite(onsite_en, ind_i=None, mode='set')

Define on-site energy for tight-biding models.

Parameters

onsite_enarray of floats

A list of energy for each orbitals.

ind_iint

Index of obtial whose on-site energy you wish to change.

modestring

Specify the way you wish to change on-site energy.

• “set” Defalt value.

solve_all(self, k_list=None, eig_vectors=False)

solve_one(self, k_point=None, eig_vectors=False)