pybinding 石墨烯模型续

最新推荐文章于 2024-08-28 07:35:17 发布

wwxy261

最新推荐文章于 2024-08-28 07:35:17 发布

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分类专栏：算法

本文链接：https://blog.csdn.net/wwxy1995/article/details/102791740

版权

import pybinding as pb
import numpy as np
import matplotlib.pyplot as plt
from math import sqrt, pi
pb.pltutils.use_style()

定义模型

def monolayer_graphene():
    a = 0.24595   # [nm] unit cell length
    a_cc = 0.142  # [nm] carbon-carbon distance
    t = 1      # [eV] nearest neighbour hopping

    lat = pb.Lattice(a1=[6, 0],
                     a2=[0, -sqrt(3)])
            
                     
    lat.add_sublattices(('A', [0, 0]),
                        ('B', [0.5, sqrt(3)/2]),
                        ('C', [1.5, sqrt(3)/2]),
                        ('D', [2,           0]),
                        ('A1',[0,           -sqrt(3)]),
                        ('B1',[0.5, -sqrt(3)/2]),
                        ('C1',[1.5, -sqrt(3)/2]),
                        ('D1', [2,           -sqrt