石墨烯色散关系:力常数模型 5NNFC
for l = 1:k_numk = k_list(l,:);D = zeros(6, 6);DAAs = zeros(3,3);DBBs = zeros(3,3);DBAs = zeros(3,3);DABs = zeros(3,3);for jj = 1:
for l = 1:k_numk = k_list(l,:);D = zeros(6, 6);DAAs = zeros(3,3);DBBs = zeros(3,3);DBAs = zeros(3,3);DABs = zeros(3,3);for jj = 1:
第一性原理方法(first-principles method 或 ab initio method)是指一种用于数值求解薛定谔方程的方法。晶格动力学方法(lattice dynamics),是指通过原子间力常数(IFCs)计算声子色散关系和弛豫时间的方法。玻