%%下面分别计算了石墨烯C-C的最近邻,次近邻和三近邻的相位和,分别用sumNN,sum2NN和sum3NN表示。
%结果显示最近邻和三近邻相位都抵消了,次近邻没有抵消为-3
%sumNN=0
%sum2NN=-3
%sum3NN=0
%%下面是计算细节
%%%%最近邻
clear alls
%%%%%%%%晶格矢量 正格矢量
a1=[2.4682260730186987 ; 0.0000000000000000 ; 0.0000000000000000];
a2=[-1.2341130365093496 ; 2.1375473857986873 ; 0.0000000000000000];
a3=[ 0.0000000000000006 ; 0.0000000000000011 ; 10.0000000000000018];
% C1=[0.0000018561517373 ;-0.0000018561604471 ; 0.5000000000000000];
% C2=[0.6666681678482611 ; 0.3333318611604476 ; 0.5000000000000000];
V=dot(a1,cross(a2,a3));% %%%晶胞体积
b1=2*pi*cross(a2,a3)/V; %%%%倒格矢量
b2=2*pi*cross(a3,a1)/V;
b3=2*pi*cross(a1,a2)/V;
%%%%%%%%%%%%%%%%%%%%%降维度
a1=a1(1:2);
a2=a2(1:2);
% C1=C1(1:2);
% C2=C2(1:2);
b1=b1(1:2);
b2=b2(1:2);
b3=b3(1:2);
%%%%%%%%%%%%%%%%%
%%%%%%%%%%%%%%%%%%%%%%%%%
K=(1/3)*(b1+b2); %%K点
R0=[0;0];
R1=-a1;
R2=-(a1+a2);
%%最近邻相位和sumNN
sumNN=exp(1i*dot(R0,K))+exp(1i*dot(R1,K))+exp(1i*dot(R2,K))
%%%%%%%%%%%%%%次近邻
clear alls
%%%%%%%%%%%%%%%最近邻
%%%%%%%%晶格矢量 正格矢量
a1=[2.4682260730186987 ; 0.0000000000000000 ; 0.0000000000000000];
a2=[-1.2341130365093496 ; 2.1375473857986873 ; 0.0000000000000000];
a3=[ 0.0000000000000006 ; 0.0000000000000011 ; 10.0000000000000018];
% C1=[0.0000018561517373 ;-0.0000018561604471 ; 0.5000000000000000];
% C2=[0.6666681678482611 ; 0.3333318611604476 ; 0.5000000000000000];
V=dot(a1,cross(a2,a3));% %%%晶胞体积
b1=2*pi*cross(a2,a3)/V; %%%%倒格矢量
b2=2*pi*cross(a3,a1)/V;
b3=2*pi*cross(a1,a2)/V;
%%%%%%%%%%%%%%%%%%%%%降维度
a1=a1(1:2);
a2=a2(1:2);
% C1=C1(1:2);
% C2=C2(1:2);
b1=b1(1:2);
b2=b2(1:2);
b3=b3(1:2);
%%%%%%%%%%%%%%%%%
%%%%%%%%%%%%%%%%%%%%%%%%%重叠
K=(1/3)*(b1+b2); %%K点
%%%%%%%%%%%%%%%%%%%%%%%%%%%%次近邻
R1=a1;
R2=a1+a2;
R3=a2;
R4=-a1;
R5=-(a1+a2);
R6=-a2;
%%%%次近邻相位和sum2NN
sum2NN=exp(1i*dot(R1,K))+exp(1i*dot(R2,K))+exp(1i*dot(R3,K))+exp(1i*dot(R4,K))...
+exp(1i*dot(R5,K))+exp(1i*dot(R6,K))
%%%%三近邻
clear alls
%%%%%%%%晶格矢量 正格矢量
a1=[2.4682260730186987 ; 0.0000000000000000 ; 0.0000000000000000];
a2=[-1.2341130365093496 ; 2.1375473857986873 ; 0.0000000000000000];
a3=[ 0.0000000000000006 ; 0.0000000000000011 ; 10.0000000000000018];
% C1=[0.0000018561517373 ;-0.0000018561604471 ; 0.5000000000000000];
% C2=[0.6666681678482611 ; 0.3333318611604476 ; 0.5000000000000000];
V=dot(a1,cross(a2,a3));% %%%晶胞体积
b1=2*pi*cross(a2,a3)/V; %%%%倒格矢量
b2=2*pi*cross(a3,a1)/V;
b3=2*pi*cross(a1,a2)/V;
%%%%%%%%%%%%%%%%%%%%%降维度
a1=a1(1:2);
a2=a2(1:2);
% C1=C1(1:2);
% C2=C2(1:2);
b1=b1(1:2);
b2=b2(1:2);
b3=b3(1:2);
%%%%%%%%%%%%%%%%%
%%%%%%%%%%%%%%%%%%%%%%%%%
K=(1/3)*(b1+b2); %%K点
R0=a2;
R1=-(a2+2*a1);
R2=-a2;
%%次近邻相位和sum3NN
sum3NN=exp(1i*dot(R0,K))+exp(1i*dot(R1,K))+exp(1i*dot(R2,K))