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Yatendra Singh Chauhan, MT20MVD014, Nano Assignment1

This document describes modeling the 1D Schrodinger equation in MATLAB to find the probability and energy of an electron confined in infinite and finite potential wells. It includes: 1) Setting up the potential wells and Hamiltonian matrix 2) Calculating the wave functions and energy levels 3) Plotting the first three wave functions and potential for each case 4) Analyzing the energy differences between states for an infinite well The document provides code to model an electron in an infinite well and finite double well, and calculates the corresponding wave functions and energy levels.

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Rutvik Patel
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67 views8 pages

Yatendra Singh Chauhan, MT20MVD014, Nano Assignment1

This document describes modeling the 1D Schrodinger equation in MATLAB to find the probability and energy of an electron confined in infinite and finite potential wells. It includes: 1) Setting up the potential wells and Hamiltonian matrix 2) Calculating the wave functions and energy levels 3) Plotting the first three wave functions and potential for each case 4) Analyzing the energy differences between states for an infinite well The document provides code to model an electron in an infinite well and finite double well, and calculates the corresponding wave functions and energy levels.

Uploaded by

Rutvik Patel
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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ASSIGNMENT 01

YATENDRA SINGH CHAUHAN


NANOELECTRONICS
MT20MVD014
Aim: Solving 1D Schrodinger equation using FDM to find probability of
electron for the following cases i) Infinite potential well (Fig 1) ii) Finite
potential well (Fig 2) iii) Two finite potential wells bringing together. 1D
Schrodinger equation is −ℏ2 2𝑚 𝜕2𝜓 𝜕𝑥2 + 𝑉𝜓 =𝐸𝜓 Where V is the Potential,
E is energy of Electron. Modelling can be done through MATLAB/ Scilab o r
C/C++ or any programming language.
FINITE POTENTIAL WELL:

%% units
global m nm kg sec J eV mass_e h_bar
m = 1;
kg = 1;
sec = 1;
J = 1;
nm = 1E-9 *(m);
eV = 1.60218E-19 *(J);
mass_e = 9.10938E-31 *(kg);
h_bar = (6.62607E-34)/(2*pi) *(J*sec);
%% Initializing simulation parameters
dz = 0.1 *(nm);
z_interval = 12 *(nm);
Higher_Voltage = 0.2 *(eV);
lower_Voltage = 0.00 *(eV);
%% allocating the variables and functions
z = (-z_interval*2/12:dz:z_interval*10/12);
% defining the two finite potential quantum well
V = zeros(size(z));
V(z<=0) = Higher_Voltage;
V(z>0 & z<8*(nm) ) = lower_Voltage;
V(z>=8*(nm)) = Higher_Voltage;
% plot of potential well
figure(1),
plot(z/nm, V/eV,'linewidth',2)
legend('V(z)','Location','southeast')
xlim([min(z/nm),max(z/nm)]), ylim([min(-0.5*V/eV),max(1.2*V/eV)])
xlabel('z
[nm]','fontweight','bold','fontsize',16),ylabel('V(eV)','fontweight','bold','fontsize',16);
% constructing the Hamiltonian matrix
H0 = diag((h_bar^2/(mass_e*dz^2)) + V);
H1 = diag(ones(1,length(z)-1)*(- h_bar^2/(2*mass_e*dz^2)),1);
H2 = diag(ones(1,length(z)-1)*(- h_bar^2/(2*mass_e*dz^2)),-1);
H = H0+H1+H2;
%% Calculating field propagation
[fn,En] = eig(H);
%% plot of wave function at first three energy states
figure(2), plot(z/nm, V/eV,'linewidth',2)
xlim([min(z/nm),max(z/nm)]),
xlabel('z
[nm]','fontweight','bold','fontsize',16),ylabel('V(eV)','fontweight','bold','fontsize',16)
figure(2),
plotModes = 4;
hold on,plot (z/nm,[fn(:,1),fn(:,2),fn(:,3),fn(:,4)],'linewidth',2);
legend('V(z)','Ground state energy','first excited state energy','second excited state
energy','Location','northeast')
xlim([min(z/nm), max(z/nm)]);
FINITE POTENTIAL WELL WAVEFUNCTION:
ENERGY:

Q.1) Plot the first three wave functions and probability of electron confined in
the infinite well of L=8nm. Analyze the Energy difference between the ground
state and first excited state (E1− E0), first and second excited states(E2−E1)
by varying
INFINITE POTENTIAL WELL:

%% units
global m nm kg sec J eV mass_e h_bar
m = 1;
kg = 1;
sec = 1;
J = 1;
nm = 1E-9 *(m);
eV = 1.60218E-19 *(J);
mass_e = 9.10938E-31 *(kg);
h_bar = (6.62607E-34)/(2*pi) *(J*sec);
%% Initializing simulation parameters
dz = 0.1 *(nm);
z_interval = 12 *(nm);
Higher_Voltage = 1000 *(eV);
lower_Voltage = 0.00 *(eV);
%% allocating the variables and functions
z = (-z_interval*2/12:dz:z_interval*10/12);
% defining the two finite potential quantum well
V = zeros(size(z));
V(z<=0) = Higher_Voltage;
V(z>0 & z<8*(nm) ) = lower_Voltage;
V(z>=8*(nm)) = Higher_Voltage;
% plot of potential well
figure(1),
plot(z/nm, V/eV,'linewidth',2)
legend('V(z)','Location','southeast')
xlim([min(z/nm),max(z/nm)]), ylim([min(-0.5*V/eV),max(1.2*V/eV)])
xlabel('z
[nm]','fontweight','bold','fontsize',16),ylabel('V(eV)','fontweight','bold','fontsize',16);
% constructing the Hamiltonian matrix
H0 = diag((h_bar^2/(mass_e*dz^2)) + V);
H1 = diag(ones(1,length(z)-1)*(- h_bar^2/(2*mass_e*dz^2)),1);
H2 = diag(ones(1,length(z)-1)*(- h_bar^2/(2*mass_e*dz^2)),-1);
H = H0+H1+H2;
%% Calculating field propagation
[fn,En] = eig(H);
%% plot of wave function at first three energy states
figure(2), plot(z/nm, V/eV,'linewidth',2)
xlim([min(z/nm),max(z/nm)]),
xlabel('z
[nm]','fontweight','bold','fontsize',16),ylabel('V(eV)','fontweight','bold','fontsize',16)
figure(2),
plotModes = 4;
hold on,plot (z/nm,[fn(:,1),fn(:,2),fn(:,3),fn(:,4)],'linewidth',2);
legend('V(z)','Ground state energy','first excited state energy','second excited state
energy','Location','northeast')
xlim([min(z/nm), max(z/nm)])
WAVE FUNCTION:

ENERGY:
CONCULSION:

In This assignment, we learnt about the Modelling of schrodinger Equation in 1D in matlab for
finding Wave functions and energy of infinite potential well and finite potential well.

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