Can you please help with the following code to generate a energy level diagram?

Question

Kalyan Jyoti Kalita 2020-7-19

0
链接

此问题的直接链接

https://ww2.mathworks.cn/matlabcentral/answers/567306-can-you-please-help-with-the-following-code-to-generate-a-energy-level-diagram

回答： Chidvi Modala 2020-8-10

Hello everyone, I run the following code and generated the attached image. But unfortunately the horizontal bar (horizontal allignment) is missing for most of the cases. How to fix the code?

clc
clear all
close all
fig = figure('color','white','position',[40 300 700 475]);
hold on;
xlim([0 9]);
ylim([-8.5 -2.5]);
set(gca,'ydir','normal');
set(gca,'ytick',-8.5:0.5:-2.5);
ylabelString = get(gca,'yticklabel');
ylabelString{1} = 'HOMO';
ylabelString{end} = 'LUMO';
set(gca,'linewidth',3);
set(gca,'yticklabel',ylabelString);
ylabel('Energy (eV)');
set(gca,'xtick',[]);
set(gca,'xcolor',[1 1 1]);
set(gca,'fontweight','bold');
set(gca,'fontsize',12);
% each energy transition
itransition = 0;
energy1 = -8.00;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy1-0.25,num2str(energy1,'%.2f'), ...
    'horizontalalignment','center','fontsize',12,'fontweight','bold');
text(itransition+0.75,energy1-0.5,'I', ...
    'horizontalalignment','center','fontsize',12,'fontweight','bold');
energy2 = -4.43;
plot([itransition+0.5 itransition+1],[energy2 energy2],'k','Linewidth',5);
text(itransition+0.75,energy2+0.25,num2str(energy2,'%.2f'), ...
    'horizontalalignment','center', ...
    'fontsize',12,'fontweight','bold');
h = text(itransition+0.75,(energy1+energy2)/2,'E_g=3.57', ...
    'horizontalalignment','center', ...
    'fontsize',12,'fontweight','bold');
set(h,'Rotation',90);
itransition = 1;
energy1 = -7.60;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy1-0.25,num2str(energy1,'%.2f'), ...
    'horizontalalignment','center','fontsize',12,'fontweight','bold');
text(itransition+0.75,energy1-0.5,'II', ...
    'horizontalalignment','center','fontsize',12,'fontweight','bold');
energy2 = -3.96;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy2+0.25,num2str(energy2,'%.2f'), ...
    'horizontalalignment','center', ...
    'fontsize',12,'fontweight','bold');
h = text(itransition+0.75,(energy1+energy2)/2,'E_g=3.64', ...
    'horizontalalignment','center', ...
    'fontsize',12,'fontweight','bold');
set(h,'Rotation',90);
itransition = 2;
energy1 = -7.35;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy1-0.25,num2str(energy1,'%.2f'), ...
    'horizontalalignment','center','fontsize',12,'fontweight','bold');
text(itransition+0.75,energy1-0.5,'III', ...
    'horizontalalignment','center','fontsize',12,'fontweight','bold');
energy2 = -3.78;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy2+0.25,num2str(energy2,'%.2f'), ...
    'horizontalalignment','center', ...
    'fontsize',12,'fontweight','bold');
h = text(itransition+0.75,(energy1+energy2)/2,'E_g=3.57', ...
    'horizontalalignment','center', ...
    'fontsize',12,'fontweight','bold');
set(h,'Rotation',90);
itransition = 3;
energy1 = -7.30;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy1-0.25,num2str(energy1,'%.2f'), ...
    'horizontalalignment','center','fontsize',12,'fontweight','bold');
text(itransition+0.75,energy1-0.5,'IV', ...
    'horizontalalignment','center','fontsize',12,'fontweight','bold');
energy2 = -3.74;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy2+0.25,num2str(energy2,'%.2f'), ...
    'horizontalalignment','center', ...
    'fontsize',12,'fontweight','bold');
h = text(itransition+0.75,(energy1+energy2)/2,'E_g=3.56', ...
    'horizontalalignment','center', ...
    'fontsize',12,'fontweight','bold');
set(h,'Rotation',90);
itransition = 4;
energy1 = -7.28;
plot([itransition+0.5 itransition+1],[energy1 energy1],'r','Linewidth',5);
text(itransition+0.75,energy1-0.25,num2str(energy1,'%.2f'), ...
    'horizontalalignment','center','fontsize',12,'fontweight','bold');
text(itransition+0.75,energy1-0.5,'V', ...
    'horizontalalignment','center','fontsize',12,'fontweight','bold');
energy2 = -3.72;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy2+0.25,num2str(energy2,'%.2f'), ...
    'horizontalalignment','center', ...
    'fontsize',12,'fontweight','bold');
h = text(itransition+0.75,(energy1+energy2)/2,'E_g=3.56', ...
    'horizontalalignment','center', ...
    'fontsize',12,'fontweight','bold');
set(h,'Rotation',90);
itransition = 5;
energy1 = -7.28;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy1-0.25,num2str(energy1,'%.2f'), ...
    'horizontalalignment','center','fontsize',12,'fontweight','bold');
text(itransition+0.75,energy1-0.5,'VI', ...
    'horizontalalignment','center','fontsize',12,'fontweight','bold');
energy2 = -3.72;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy2+0.25,num2str(energy2,'%.2f'), ...
    'horizontalalignment','center', ...
    'fontsize',12,'fontweight','bold');
h = text(itransition+0.75,(energy1+energy2)/2,'E_g=3.56', ...
    'horizontalalignment','center', ...
    'fontsize',12,'fontweight','bold');
set(h,'Rotation',90);
itransition = 6;
energy1 = -7.27;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy1-0.25,num2str(energy1,'%.2f'), ...
    'horizontalalignment','center','fontsize',12,'fontweight','bold');
text(itransition+0.75,energy1-0.5,'VII', ...
    'horizontalalignment','center','fontsize',12,'fontweight','bold');
energy2 = -3.71;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy2+0.25,num2str(energy2,'%.2f'), ...
    'horizontalalignment','center', ...
    'fontsize',12,'fontweight','bold');
h = text(itransition+0.75,(energy1+energy2)/2,'E_g=3.56', ...
    'horizontalalignment','center', ...
    'fontsize',12,'fontweight','bold');
set(h,'Rotation',90);
itransition = 7;
energy1 = -7.27;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy1-0.25,num2str(energy1,'%.2f'), ...
    'horizontalalignment','center','fontsize',12,'fontweight','bold');
text(itransition+0.75,energy1-0.5,'VIII', ...
    'horizontalalignment','center','fontsize',12,'fontweight','bold');
energy2 = -3.70;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy2+0.25,num2str(energy2,'%.2f'), ...
    'horizontalalignment','center', ...
    'fontsize',12,'fontweight','bold');
h = text(itransition+0.75,(energy1+energy2)/2,'E_g=3.57', ...
    'horizontalalignment','center', ...
    'fontsize',12,'fontweight','bold');
set(h,'Rotation',90);
itransition = 8;
energy1 = -7.43;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy1-0.25,num2str(energy1,'%.2f'), ...
    'horizontalalignment','center','fontsize',12,'fontweight','bold');
text(itransition+0.75,energy1-0.5,'IX', ...
    'horizontalalignment','center','fontsize',12,'fontweight','bold');
energy2 = -3.87;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy2+0.25,num2str(energy2,'%.2f'), ...
    'horizontalalignment','center', ...
    'fontsize',12,'fontweight','bold');
h = text(itransition+0.75,(energy1+energy2)/2,'E_g=3.56', ...
    'horizontalalignment','center', ...
    'fontsize',12,'fontweight','bold');
set(h,'Rotation',90);

0 个评论
显示 -2更早的评论隐藏 -2更早的评论

请先登录，再进行评论。

请先登录，再回答此问题。

Answer 1

Chidvi Modala 2020-8-10

0
链接

此回答的直接链接

https://ww2.mathworks.cn/matlabcentral/answers/567306-can-you-please-help-with-the-following-code-to-generate-a-energy-level-diagram#answer_477430

在 MATLAB Online 中打开

The horizontal bar is missing for few cases because you are ploting the energy1 values instead of energy2 values for few cases. For itransition 1 to 8, you can replace

plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);

with

plot([itransition+0.5 itransition+1],[energy2 energy2],'k','Linewidth',5);

while plotting energy2 values. And also for better readability of values, you can reduce the Linewidth.