Can you please help with the following code to generate a energy level diagram?
10 views (last 30 days)
Show older comments
Kalyan Jyoti Kalita
on 19 Jul 2020
Answered: Chidvi Modala
on 10 Aug 2020
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 Comments
Accepted Answer
Chidvi Modala
on 10 Aug 2020
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.
0 Comments
More Answers (0)
See Also
Categories
Find more on Feature Detection and Extraction in Help Center and File Exchange
Community Treasure Hunt
Find the treasures in MATLAB Central and discover how the community can help you!
Start Hunting!