Note: This software is no longer supported by the Berkeley Device Group.

Use at
your own risk.
Introduction
This software calculates the capacitance-voltage characteristics of an MOS capac
itor considering the electron/hole distributions in both inversion and accumulat
ion. These distributions are calculated by solving Schroedinger's and Poisson's
equations self-consistently with the Fermi-Dirac distribution using the physical
parameters for (100) Si. Electron and hole masses may be found in the source co
de.
User Agreement
By using this software, you agree to acknowledge the UC Berkeley Device Group wh
en disseminating or publishing the software or results derived from it.
Installation
The simulator is written in Matlab. Download these three files to your local mac
hine.
cmos.m shelec.m shhole.m
Operation
Before starting Matlab, edit cmos.m with the appropriate parameters. The user-de
fined parameters are all contained in the section labeled INPUT PARAMETERS; the
comments indicate the meaning of each parameter. It is worthwhile to note that c
hanging the number of 'voltage steps' does not significantly impact the simulati
on time. This is because the simulation converges more quickly for smaller volta
ge steps.
Start matlab and run cmos.m. (The other two files contain functions that are cal
led by cmos.m.)
While the simulation is running, it will give updates of the current bias point,
iteration number, and convergence indicator.
The simulation takes around 30 minutes, based on the processor type.
Note: The simulation input parameters Vstart and Vend refer to the potential at
the silicon surface (not the gate voltage or oxide voltage). Typical parameters
for sweeping from accumulation to inversion are given.
Note: Poly gate depletion is calculated after the quantum simulation using the e
lectric field calculated in the simulation to reduce the effective gate potentia
l. This option can be turned off.
Output File
The results are stored in plain text in a file whose name is specified as a para
meter in the program. The results can be imported into your favorite graphing pr
ogram (such as Microsoft Excel) as 'space delimited' text.
The columns in the output file are (from left to right): Si surface potential, g
ate voltage, gate capacitance, electron centroids (dc,ac), hole centroids (dc,ac
), Si surface electric field, total charge, and inversion charge.
Fitting Physical Oxide Thickness
Run the simulation repeatedly, changing doping and oxide thickness until the sim
ulated results match the measured results well. After a good fit is obtained, pa
rticularly in the accumulation regime, subtract 0.2nm from the final oxide thick
ness to compensate for the accumulation charge centroid in the gate. This value
is obtained from an independent simulation for highly-doped silicon.
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Copyright 2004 © The Regents of the University of California, All rights reserved.
Many thanks to Vivek Subramanian for web design assistance.

% cmos.m version 1.3 (MAIN PROGRAM)

%
% 1-dimensions selfconsistent Poisson equations, classical solution
% for (100) NMOS or PMOS inversion layer
%
% Originated by Hiroshi Fujioka at U.C. Berkeley, Jun 29 1996
% Revised by S. Kamohara at U.C. Berkeley, Oct 05 1996
% Revised by Ya-Chin King at U.C. Berkeley, Feb 11 1997
% Last Revised by Kevin Yang at U.C. Berkeley, Jun 01 1999
% Posted to http://www-device.eecs.berkeley.edu/~kjyang/qmcv/
%
% Units for Poisson are cgs
% Units for Shrodinger are Hartree (e=m0=h-=1, 1Hr=27.2118eV 1a.u.=0.526177A)
%
% TO RUN THIS PROGRAM PLEASE INCLUDE TWO FUNCTIONS IN THE SAME
% DIRECTORY: shelec.m ,shhole.m
%
%****************initial definition!*********************
%
clear; % Clear memory and print header
cflag=0; % 0/1 quantum/classical
imax=5000; % maximum number of newton iterations
%
%****************INPUT PARAMETERS!!!*********************
%
fid1=fopen('cvdata','w'); % Initialize output file; first arg is filename
T = 300; % temperature (K)
Ns =9E17; % Substrate doping concentration (cm^-3)
% (-/+ for n/p-type);
Tox=28E-8; % Oxide thickness (cm)
pd = 1; % consider poly depletion? 1: yes 0: no
Npoly=-2.2e20; % Poly doping (- means n-type; + means p-type)
Vfb=99; % 99 means autocalculate, else uses value
% autocalculate uses Npoly and Ns (see below)
% For metal gate, please input Vfb here
Dvc= 1e-4; % small signal voltage for capacitance
np=sign(Ns); % (do not edit this line) n-sub or p-sub
Vstart=(-1)*np*0.3; % Silicon Voltage: start (accumulation)
Vend=np*1.4; % Silicon Voltage: end (inversion)
Nvstep=20; % number of voltage steps
%
cimp0=0; % Following parameters for implant
%cimp0=3.0e17; % Gaussian implant: peak conc. (+: p-type)
%ximp0=0.02e-4; % Gaussian implant: Rp
%simp0=0.05e-4; % Gaussian implant: dRp (straggle)
%
%*********DEFINE THE RANGE FOR CALCULATION******************
%
if Nvstep>1;
Vs0=linspace(Vstart,Vend,Nvstep);
else
Vs0(1)=Vstart;
end
%
%*********calculate Vfb*****************
%
Ns=abs(Ns);
if Vfb==99
if np*Npoly<0;
Vfb=-np*0.026*log(abs(Npoly*Ns)/2.1045e20); % n+/nmos or p+/pmos
else
Vfb=np*0.026*log(abs(Npoly/Ns)); % n+/nsub or p+/psub
end
end
%
%****************CONSTANTS**********************
%
k = 8.61735E-5; % Boltzmann constant in eV/K
beta=1/k/T; % kT/q (1/eV)
hb= 6.58215e-16; % Plank's constant in eV-s
eps0 = 8.86E-14; % Permittivity of free space (F/cm)
eps1 = 11.7; % Relative permittivity of Si
eps1ox = 3.9; % Relative permittivity of Si
q0 = 1.602E-19; % electron charge (C)
au = 0.5262E-8; % atomic unit in cm
Eg = 1.12; % Bandgap of Si in eV
Nv = 1.02E19; % effective density of states of valence band
Nc = 2.8E19; % effective density of states of conduction band
ni = 1.45E10; % density of intrinsic carrier
pai= 3.14159;
m0 = 9.109534E-31; % electron mass in Kg
m1 = 0.916; % Electron effective mass in z direction for lower(3,6)
m2 = 0.19; % Electron effective mass in z direction for higher(1,4,2,5)
md1 = 0.19; % Density of state mass low energy valley (3,6)
md2 = 0.417; % Density of state mass high energy valley (1,4,2,5)
mc1 = 0.19; % Conductivity mass low energy valley (3,6)
mc2 = 0.315; % Conductivity mass high energy valley (1,4,2,5)
%
%****************NUMERICAL CONSTANTS******************
%
aregion=2000e-8; % size of classically allowed region (cm)
fregion=100e-8; % size of classically forbidden region (cm)
N1 =50; %number of mesh points in the fregion for poisson solution
N2 = 50; %number of mesh points in the aregion for poisson solution
NS =50; %number of mesh points in the aregion for Shrodinger eqn.
N=N1+N2; % total number of mesh points for the poisson solution
dx0= fregion/real(N1); % mesh size in fregion
dx1= (aregion-fregion)/real(N2-1); % mesh size in aregion
%
%**************** MESH GENERATION ****************
%
dx=zeros(N,1); % initialize spacing array
xscale=zeros(N,1); % initialize space array
dx(1:N1)=ones(N1,1).*dx0; % fregion spacing
xscale(2:N1+1)=dx0:dx0:fregion; % fregion space array
dx(N1+1:N)=ones(N2,1).*dx1; % aregion spacing
xscale(N1+1:N)=fregion:dx1:aregion; % aregion space array
%
%**************** IMPURITY PROFILE SETUP ************************
%
Nad= Ns*ones(N,1); % constant substrate doping
%
if cimp0~=0; % Gaussian implant
Nad=Nad+np*cimp0.*exp(-(xscale-ximp0).^2./(simp0^2));
end
%
%****************CALCULATED PARAMETERS****************
%
if sign(np)==1
Nep0=0.5*(Ns+sqrt(Ns*Ns+4*ni*ni)); % hole density at equilibrium
Nen0=ni*ni/Nep0; % electron density at equilibrium
else
Nen0=0.5*(Ns+sqrt(Ns*Ns+4*ni*ni)); % electron density at equilibrium
Nep0=ni*ni/Nen0; % hole density at equilibrium
end
Ef=+k*T*log(Nep0/ni); % definition of Fermi
%
fprintf('Matrix for Poisson is %g by %g square \n',N,N);
Nen= zeros(N,1);
Nep= zeros(N,1);
Ne = zeros(N,1);
Rho = zeros(N,1);
V0 = zeros(N,1);
VS = zeros(N,1);
A = zeros(N,N); % Matrix for 2nd differential operator
A(1,1)=1/dx0^2; %bondary condition Vsurface=Vs
for j=2:N-1
avgdx=(dx(j-1)+dx(j))/2;
A(j,j-1) = 1/dx(j-1)/avgdx;
A(j,j) = -(1/avgdx)*(1/dx(j-1)+1/dx(j));
A(j,j+1) = 1/dx(j)/avgdx;
end;
A(N,N)=1/dx(N-1)^2;
%
%************** BEGIN CALCULATIONS *************************
%
fprintf(fid1,'Vs Vg Cac Lndc Lnac Lpdc
Lpac Es Qtot Qinv \n');
%
%**************LOOP FOR EACH VOLTAGE STEP*************************
%
for ivl=1:Nvstep
Vss(1)=Vs0(ivl)-Dvc; % for capacitance calculation purpose (dV)
Vss(2)=Vs0(ivl);
%
%**************LOOP FOR CAPACITANCE CALCULATION*******************
%
for icc=1:2
Vs=Vss(icc);
%
%**************POISSON EQUATION SETUP*****************************
%
Rho(1)=Vs/dx0^2; %bondary condition on the surface
Rho(N)=0; %bondary condition V(N)=0
V0=A\Rho; %inital guess
deltaNe = zeros(N,1);
deltaRho = zeros(N,1);
R = zeros(N,1);
%
%***************** NEWTON LOOP **********************************
%
for i=1:imax;
%
% Hole
 if cflag>0.5 % cflag=1, Classical case
Nep=+Nep0*exp(-beta*V0);
else % Quantum
xstart=0.0; % define quantization region
xend=fregion;
VSH=+V0+Eg/2.0; % shift potential
%
% SOLVING SHRODINGER EQUATIONS
[xscaleO,E1h,E2h,E3h,Y1h,Y2h,Y3h,YY1h,YY2h,YY3h,R0]=shhole(xscale,VSH,xs
tart,xend,NS,Ef,T);
for j=1:N
if xscale(j)>=xstart & xscale(j)<=xend;
Nep(j) = interp1(xscaleO,R0,xscale(j));
else
Nep(j)=+Nep0*exp(-beta*V0(j));
end % scale if
end % scale for
end % quantum if
%
% Electron
if cflag>0.5 % cflag=1, Classical case
Nen=+ni^2./Nep;
else % Quantum
xstart=0.0;
xend=fregion;
VSH=-V0+Eg/2.0;
[xscaleO,E1e,E2e,Y1e,Y2e,YY1e,YY2e,R0]=shelec(xscale,VSH,xstart,xend,NS,
Ef,T);
for j=1:N
if xscale(j)>=xstart & xscale(j)<=xend;
Nen(j) = interp1(xscaleO,R0,xscale(j));
else
Nen(j)=+ni^2/Nep0*exp(beta*V0(j));
end % scale if
end % scale for
end % quantum if
%
Ne=-sign(np)*Nad-Nen+Nep; % Net charge density
deltaNe=-beta*Nep-beta*Nen; % gradient for NR method
Rho=-q0*Ne/eps0/eps1;
deltaRho=-q0*deltaNe/eps0/eps1;
%
%Set up the Newton Raphson matrix
NR=A;
for j=2:N-1
NR(j,j)=NR(j,j)-deltaRho(j);
end
R=-A*V0+Rho;
%
R(1)=0;
R(N)=0;
deltaV0=NR\R; % Potential in eV
V0=V0+deltaV0; % Update the V0
%
% convergence test
dsort=max(abs(deltaV0));
if(dsort<1.0e-12)
break
end
%
ivl,i,dsort % print status
end % Newton loop
%
%+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
%
% store charge density profile
if icc<1.5;
Nen1=Nen;
Nep1=Nep;
Ne1=Ne;
else
Nen2=Nen;
Nep2=Nep;
Ne2=Ne;
end
%
%+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
%
Qt(icc)=q0*trapz(xscale,Ne);
if sign(np)==1
Qinv(icc)=q0*trapz(xscale,Nen);
else
Qinv(icc)=q0*trapz(xscale,Nep);
end
%
%+++++++++++++++Volatge estimation++++++++++++++++++++++++++++++
%
Fg0(icc)=(V0(1)-V0(2))/dx(1); % surface electric field
Vox(icc)=Fg0(icc)*Tox*eps1/eps1ox; % potential in oxide
qtot(icc)=eps0*eps1*Fg0(icc); % total charge density (#/cm2)(elec+ion)
if (Vs*sign(Npoly))<=0;
Vpoly(icc)=-0.5*Qt(icc)^2/(eps0*eps1*Npoly*q0); % poly depetion
else
Vpoly(icc)=0.0; % poly acc
end
Vg(icc)=V0(1)+Vox(icc)+Vpoly(icc)*pd+Vfb; % gate voltage
%
%++++++++++++++++DC Centroid++++++++++++++++++++++++++++++++++++
%
Lndc1=trapz(xscale,xscale.*(Nen+Nad*((np-1)/2))); % subtract for pmos
Lndc2=trapz(xscale,(Nen+Nad*((np-1)/2)));
Lndc(icc)=Lndc1/Lndc2;
Lpdc1=trapz(xscale,xscale.*(Nep-Nad*((np+1)/2))); % subtract for nmos
Lpdc2=trapz(xscale,(Nep-Nad*((np+1)/2)));
Lpdc(icc)=Lpdc1/Lpdc2;
%
%+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
%
end % capacitance loop
%
%++++++++++++++++Capacitance++++++++++++++++++++++++++++++++++++
%
Cac=abs(Qt(2)-Qt(1))/(Vg(2)-Vg(1)) ;
%
%++++++++++++++++Ac Centroid++++++++++++++++++++++++++++++++++++
%
Lnac1=trapz(xscale,xscale.*(-Ne1+Ne2));
Lnac2=trapz(xscale,Nen1-Nen2);
Lnac=Lnac1/Lnac2;
 Lpac1=trapz(xscale,xscale.*(Ne1-Ne2));
Lpac2=trapz(xscale,Nep1-Nep2);
Lpac=Lpac1/Lpac2;
%
%+++++++++++++++Out put+++++++++++++++++++++++++++++++++++++++++
%
fprintf(fid1,'%10.4e %10.4e %10.4e %10.4e %10.4e %10.4e %10.4e %10.4e %10.4e %10
.4e\n',Vs,Vg(1),Cac,Lndc(1),Lnac,Lpdc(1), Lpac,Fg0(1),qtot(1),Qinv(1));
%
%+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
%
end % bias loop
%
%+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
%
fclose(fid1);
%
%+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

2ND FUNCTION FILE

function [xscale,E1,E2,Y1,Y2,YY1,YY2,R]=shelec(xscaleI,VI,xstart,xend,N,Ef,T);
%***********************************************************
% 1-dimensions Shrodinger equations
% for (100) electorn ver 1.0.0
% "input"
% xscaleI:cordinate of volatge (cm)
% VI: voltage (V)
% (xstrat,xend): analysis region (cm)
% N: analysis mesh number
% Ef: Fermi level
% T : temperature
% "output"
% xscale : new scale (cm)
% E1-2 (i):energy level of light, heavy on i-band
% YY1-2 (j,i):density of light, heavy on i-band at j-point
% R : carrirer density (cm-3)
% Written by Hiroshi Fujioka at U.C.Berkeley, Jun 29 1996
% Revised by Shiro Kamohara at U.C.Berkeley, Dec 06 1996
% Unit for Shrod is Hartree (e=m0=h-=1, 1Hr=27.2118eV 1a.u.=0.526177A)
%****************CONSTANTS*********************************************
k = 8.61735E-5; % Boltzmann constant in eV/K
hb= 1.05459E-27; % Plank's constant in ergs
eps0 = 8.86E-14; % Permittivity of free space (F/cm)
eps1 = 11.7; % Relative permittivity of Si
eps1ox = 3.9; % Relative permittivity of Si
q0 = 1.602E-19; % electron charge (C)
au = 0.5262E-8; % atomic unit in cm
Hr = 27.212; % 1 Hartree in eV
Eg = 1.12; % Bandgap of Si in eV
Nv = 1.02E19; % effective density of states of valence band
Nc = 2.8E19; % effective density of states of conduction band
m0 = 9.109534E-28; % electron mass in g
m1 = 0.916; % Electron mass in z direction for lower(3,6)
m2 = 0.19; % Electron mass in z direction for higher(1,4,2,5)
md1 = 0.19; % Density of state mass low energy valley (3,6)
md2 = 0.417; % Density of state mass high energy valley (1,4,2,5)
g1 = 2; % degeneracy for low energy valley (3,6)
g2 = 4; % degeneracy for high energy valley (1,4,2,5)
%**************** set up ****************
Ef=-Ef;
%****************scale set up ****************
xscale = linspace(xstart,xend,N).'; % New scale cm
dx0=(xend-xstart)/real(N);
dx= dx0/au; % Mesh separation in a.u.
dd=1/2/(dx^2); % (a.u.)^-2
%**************potential set up*****************************
V=zeros(N,1);
% Potential in Hr
for j=2:(N-1)
V(j) = interp1(xscaleI,VI,xscale(j))/Hr;
end
V(1)=20; %boundary condition
V(N)=20; %boundary condition
%****************CALCULATED PARAMETERS****************
Do1 = g1*md1*m0/3.1415/(hb)^2/6.24146E11; %density of state (#/eV/cm2)
Do2 = g2*md2*m0/3.1415/(hb)^2/6.24146E11; %density of state (#/eV/cm2)
%************* Schrodinger Equation ********************
H = zeros(N,N);
% light electorn
for j=2:(N-1)
H(j,j) = V(j)+2*dd/m1;
end
H(N,N)=V(N)+2*dd/m1;
H(1,1)=V(1)+2*dd/m1;
for j=2:N
H(j-1,j) = -dd/m1;
H(j,j-1) = -dd/m1;
end
[Y,D]=eig(H); % Eigen vectors(Y) and Eigen values(D)
[lambda1,key1] =sort(diag(D)); % Sort of eigen vector
Y1 = Y(:,key1);
E1=lambda1*Hr;
% heavy electorn
H = zeros(N,N);
for j=2:(N-1)
H(j,j) = V(j)+2*dd/m2;
end
H(N,N)=V(N)+2*dd/m2;
H(1,1)=V(1)+2*dd/m2;
for j=2:N
H(j-1,j) = -dd/m2;
H(j,j-1) = -dd/m2;
end
[Y,D]=eig(H); % Eigen vectors(Y) and Eigen values(D)
[lambda2,key2] =sort(diag(D)); % Sort of eigen vector
Y2 = Y(:,key2);
E2=lambda2*Hr;
%**************** Calculating electron densities ******************
%p:electron density /cm2
for j=1:N
ne1(j)=Do1*k*T*log(1+exp((Ef-E1(j))/k/T));
ne2(j)=Do2*k*T*log(1+exp((Ef-E2(j))/k/T));
end
%YY:electron density at each valley /cm3
for j=1:N
 for jj=1:N
YY1(j,jj)=(Y1(j,jj))^2*ne1(jj)/dx0; %elec. den. (low ene. valley in #/cc)
YY2(j,jj)=(Y2(j,jj))^2*ne2(jj)/dx0; %elec. den. (high ene. valley in #/cc)
end
end
%R:electron density /cm3
R = zeros (N,1);
for j=1:N
for jj=1:N
R(j) =R(j)+(YY1(j,jj)+YY2(j,jj));
end
end

FUNCTION 1 USED MY MAIN PROGRAM

function [xscale,E1,E2,E3,Y1,Y2,Y3,YY1,YY2,YY3,R]=shhole(xscaleI,VI,xstart,xend,
N,Ef,T);
%***********************************************************
% 1-dimensions Shrodinger equations
% for (100) hole ver 1.0.0
% "input"
% xscaleI:cordinate of volatge (cm)
% VI: voltage (V)
% (xstrat,xend): analysis region (cm)
% N: analysis mesh number
% Ef: Fermi level
% T : temperature
% "output"
% xscale : new scale (cm)
% E1-3 (i):energy level of light, heavy, split on i-band
% YY1-3 (j,i):density of light, heavy, split on i-band at j-point
% R : carrirer density (cm-3)
% Written by Hiroshi Fujioka at U.C.Berkeley, Jun 29 1996
% Revised by Shiro Kamohara at U.C.Berkeley, Dec 06 1996
% Unit for Shrod is Hartree (e=m0=h-=1, 1Hr=27.2118eV 1a.u.=0.526177A)
%****************CONSTANTS*********************************************
k = 8.61735E-5; % Boltzmann constant in eV/K
hb= 1.05459E-27; % Plank's constant in ergs
eps0 = 8.86E-14; % Permittivity of free space (F/cm)
eps1 = 11.7; % Relative permittivity of Si
eps1ox = 3.9; % Relative permittivity of Si
q0 = 1.602E-19; % electron charge (C)
au = 0.5262E-8; % atomic unit in cm
Hr = 27.212; % 1 Hartree in eV
Eg = 1.12; % Bandgap of Si in eV
Nc = 2.8E19; % effective density of states for conduction band
Nv = 1.02E19; % effective density of states for valence band
m0 = 9.109534E-28; % electron mass in g
m1 = 0.291; % Electron mass in z direction for heavy hole
m2 = 0.2; % Electron mass in z direction for light hole
m3 = 0.29; % Electron mass in z direction for split off
md1 = 0.645; % Density of state mass for haevy hole
md2 = 0.251; % Density of state mass for light hole
md3 = 0.29; % Density of state mass for sprit-off band
deltaE=0.044; % spin-orbit sprit energy
g1 = 1; % degeneracy for heavy hole
g2 = 1; % degeneracy for light hole
g3 = 1; % degeneracy for split off band
%****************scale set up ****************
xscale = linspace(xstart,xend,N).'; % New scale cm
dx0=(xend-xstart)/real(N);
dx= dx0/au; % Mesh separation in a.u.
dd=1/2/(dx^2); % (a.u.)^-2
%**************potential set up*****************************
V=zeros(N,1);
% Potential in Hr
for j=2:(N-1)
V(j) = interp1(xscaleI,VI,xscale(j))/Hr;
end
V(1)=20; %boundary condition
V(N)=20; %boundary condition
%****************density of state ****************
Do1 = g1*md1*m0/3.1415/(hb)^2/6.24146E11; %density of state (#/eV/cm2)
Do2 = g2*md2*m0/3.1415/(hb)^2/6.24146E11; %density of state (#/eV/cm2)
Do3 = g3*md3*m0/3.1415/(hb)^2/6.24146E11; %density of state (#/eV/cm2)
%************* Schrodinger Equation ********************
H = zeros(N,N);
% light hole
for j=2:(N-1)
H(j,j) = V(j)+2*dd/m1;
end
H(N,N)=V(N)+2*dd/m1;
H(1,1)=V(1)+2*dd/m1;
for j=2:N
H(j-1,j) = -dd/m1;
H(j,j-1) = -dd/m1;
end
[Y,D]=eig(H); % Eigen vectors(Y) and Eigen values(D)
[lambda1,key1] =sort(diag(D)); % Sort of eigen vector
Y1 = Y(:,key1);
E1=lambda1*Hr;
% heavy hole
H = zeros(N,N);
for j=2:(N-1)
H(j,j) = V(j)+2*dd/m2;
end
H(N,N)=V(N)+2*dd/m2;
H(1,1)=V(1)+2*dd/m2;
for j=2:N
H(j-1,j) = -dd/m2;
H(j,j-1) = -dd/m2;
end
[Y,D]=eig(H); % Eigen vectors(Y) and Eigen values(D)
[lambda2,key2] =sort(diag(D)); % Sort of eigen vector
Y2 = Y(:,key2);
E2=lambda2*Hr;
% split band
H = zeros(N,N);
for j=2:(N-1)
H(j,j) = V(j)+2*dd/m3;
end
H(N,N)=V(N)+2*dd/m3;
H(1,1)=V(1)+2*dd/m3;
for j=2:N
H(j-1,j) = -dd/m3;
H(j,j-1) = -dd/m3;
 end
[Y,D]=eig(H); % Eigen vectors(Y) and Eigen values(D)
[lambda3,key3] =sort(diag(D)); % Sort of eigen vector
Y3 = Y(:,key3);
E3=lambda3*Hr+deltaE; % sprit is added
%**************** Calculating hole densities ******************
%p:hole density /cm2
for j=1:N
p1(j)=Do1*k*T*log(1+exp((Ef-E1(j))/k/T)); %hole den in heavy
p2(j)=Do2*k*T*log(1+exp((Ef-E2(j))/k/T)); %hole den in light
p3(j)=Do3*k*T*log(1+exp((Ef-E3(j))/k/T)); %hole den in sprit
end
%YY:hole density at each valley /cm3
for j=1:N
for jj=1:N
YY1(j,jj)=(Y1(j,jj))^2*p1(jj)/dx0; %hole den. (heavy band in #/cc)
YY2(j,jj)=(Y2(j,jj))^2*p2(jj)/dx0; %hole den. (light band in #/cc)
YY3(j,jj)=(Y3(j,jj))^2*p3(jj)/dx0; %hole den. (sprit off band in #/cc)
end
end
%R:hole density /cm3
R=zeros(N,1);
for j=1:N
for jj=1:N
R(j) = R(j)+(YY1(j,jj)+YY2(j,jj)+YY3(j,jj));
end
end