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Shahjalal University of Science and Technology: Department of Electrical & Electronic Engineering Assignment

The document is an assignment submitted by Nafis Mustakim to their lecturer Md. Asaduz Zaman Mamun at Shahjalal University of Science and Technology. The assignment involves using finite difference methods to numerically solve Schrodinger's wave equation for different potential wells, including infinite potential wells, linear potential wells, and notch potential wells. Code is provided in Matlab to solve the equations and plot the probability density functions. Results show the probability of finding electrons in different energy states for each type of potential well.

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41 views12 pages

Shahjalal University of Science and Technology: Department of Electrical & Electronic Engineering Assignment

The document is an assignment submitted by Nafis Mustakim to their lecturer Md. Asaduz Zaman Mamun at Shahjalal University of Science and Technology. The assignment involves using finite difference methods to numerically solve Schrodinger's wave equation for different potential wells, including infinite potential wells, linear potential wells, and notch potential wells. Code is provided in Matlab to solve the equations and plot the probability density functions. Results show the probability of finding electrons in different energy states for each type of potential well.

Uploaded by

nTech World
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd
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Shahjalal University of Science and Technology

Department of Electrical & Electronic Engineering

Assignment

Course Title: Electrical Properties of Materials

Course Code: EEE 327

Topic: Numerical Solution of schrodinger’s wave equation


with finite difference method

Date of submission: 25.03.2018

Submitted by, Submitted to,


Nafis Mustakim Md. Asaduz Zaman Mamun
2015338012 Lecturer
Dept. of EEE,
SUST.
OBJECTIVE:
1. Use Finite Difference Method to solve schrodinger’s wave equation numerically for the
following conditions :
 Infinite potential well
 Linear potential well
 Notch potential

All numerical simulations are solved using Matlab.

Infinite potential well :


Potential well is given bellow:

Schrodinger’s wave equation for the given infinite potential well is solved by the mean of finite
difference method.
Result:

Discussion:
 For ground state it is more probable to find the electron in the mid region
 For first excited state the red curve shows the probability density function. It is
evident that it is not likely to find the electron in the mid region
 Second excited state curve (yellow) shows the probability density function of the
electron in the second excited state
Linear potential well:
The linear potential well is plotted with the help of Matlab. We need to solve schrodinger’s
wave equation in this region.
Result:

Discussion:
It is evident from the graph that probability to find the electron in the region with potential
energy is more unlikely.
Notch potential:

Schrodinger’s wave equation for the given notch potential is solved by the mean of finite
difference method.
Result:

Discussion:
The probability of finding the electron is rare in the potential region.
Codes:
Infinite well:
clc

clear all

close all

hbar= (9.93*10^-34); % assigning value of hbar

mass = (9.11*10^-31); %mass of electron

step_size = 5;

data_points = 1000;

KE = zeros(data_points); %KE is kinetic energy

KE(1,1)=2;

for n=2:data_points %hamiltonian matrix

KE (n,n) = 2;

KE(n,n-1)= -1;

KE(n-1,n)=-1;

end

k=(hbar^2)/(2*mass*step_size^2);

Kinetic_Energy = KE*k; %final kinetic energy of wave equation

Potential_Energy = zeros(data_points);

for i=1:200

Potential_Energy (i,i)= .005;

end

for i=data_points-200:data_points

Potential_Energy (i,i)= .005;

end

hamiltonian = Kinetic_Energy + Potential_Energy;

[eigenvectors,eigenvalues] = eig(hamiltonian);

x= linspace(0,step_size*data_points,data_points);
ground = eigenvectors(:,1)+ eigenvalues(1,1)*ones(data_points,1);%sum of eigenvalue and eigenvectors give wave
fuction

ground_state= ground .* ground ;% calculation of probability density function

first = eigenvectors(:,2)+ eigenvalues (2,2)*ones(data_points,1);

first_state = first .* first;

second = eigenvectors(:,3)+ eigenvalues (3,3)*ones(data_points,1);

second_state = second .* second ;

area(x,diag (Potential_Energy)) %plote of position vs potential

hold on

plot(x,ground_state,'g','LineWidth',2)

hold on

plot(x,first_state,'r','LineWidth',2)

hold on

plot(x,second_state,'y','LineWidth',2)

legend('Potential Energy', 'Ground State', 'First Excited State', 'Second Excited State')

title('Numerical solution of schrodinger wave equation')

xlabel('Position in nm')

ylabel('Probabilty density function')

Linear potential well:


clc

clear all

close all

hbar= (9.93*10^-34); % assigning value of hbar

mass = (9.11*10^-31); %mass of electron

step_size = .005;

data_points = 50;

KE = zeros(data_points); %KE is kinetic energy

KE(1,1)= 2;

for n=2:data_points %hamiltonian matrix

KE (n,n) = 2;
KE(n,n-1)= -1;

KE(n-1,n)=-1;

end

k=(hbar^2)/(2*mass*step_size^2);

Kinetic_Energy = KE*k; %final kinetic energy of wave equation

Potential_Energy = zeros(data_points);

c=.0000001;

for i=1:data_points

Potential_Energy (i,i)= c ;

c=c+.01;

end

hamiltonian = Kinetic_Energy + Potential_Energy;

[eigenvectors,eigenvalues] = eig(hamiltonian);

x= linspace(0,step_size*data_points,data_points);

ground = eigenvectors(:,1)+ eigenvalues(1,1)*ones(data_points,1); %sum of eigenvalue and eigenvectors give wave


fuction

ground_state= ground .^2 ; % calculation of probability density function

first = eigenvectors(:,2)+ eigenvalues (2,2)*ones(data_points,1);

first_state = first.^2 ;

second = eigenvectors(:,3)+ eigenvalues (3,3)*ones(data_points,1);

second_state = second .^2 ;

area(x,diag (Potential_Energy))

hold on

plot(x,ground_state,'g','LineWidth',2)

hold on

plot(x,first_state,'r','LineWidth',2)

hold on

plot(x,second_state,'y','LineWidth',2)

legend('Potential Energy', 'Ground State', 'First Excited State', 'Second Excited State')

title('Numerical solution of schrodinger wave equation')


xlabel('Position')

ylabel('Probabilty density function')

Notch potential:
clc

clear all

close all

hbar= (9.93*10^-34); % assigning value of hbar

mass = (9.11*10^-31); %mass of electron

step_size = .05;

data_points = 500;

KE = zeros(data_points); %KE is kinetic energy

KE(1,1)= 2;

for n=2:data_points %hamiltonian matrix

KE (n,n) = 2;

KE(n,n-1)= -1;

KE(n-1,n)=-1;

end

k=(hbar^2)/(2*mass*step_size^2);

Kinetic_Energy = KE*k; %final kinetic energy of wave equation

Potential_Energy = zeros(data_points);

for i=200:data_points-200

Potential_Energy (i,i)= .01;

end

hamiltonian = Kinetic_Energy + Potential_Energy;

[eigenvectors,eigenvalues] = eig(hamiltonian);

x= linspace(0,step_size*data_points,data_points);

ground = eigenvectors(:,1)+ eigenvalues(1,1)*ones(data_points,1);%sum of eigenvalue and eigenvectors give wave


fuction

ground_state= ground .^2 ;% calculation of probability density function

first = eigenvectors(:,2)+ eigenvalues (2,2)*ones(data_points,1);


first_state = first .^2;

second = eigenvectors(:,3)+ eigenvalues (3,3)*ones(data_points,1);

second_state = second .^2 ;

area(x,diag (Potential_Energy))

hold on

plot(x,ground_state,'g','LineWidth',2)

hold on

plot(x,first_state,'r','LineWidth',2)

hold on

plot(x,second_state,'y','LineWidth',2)

legend('Potential Energy', 'Ground State', 'First Excited State', 'Second Excited State')

title('Numerical solution of schrodinger wave equation')

xlabel('Position')

ylabel('Probabilty density function')

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