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Simulating the Energy Spectrum of Quantum Dots J. Planelles

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PROBLEM 1. Calculate the electron energy spectrum of a 1D GaAs/AlGaAs QD as a function of the size. Hint: consider GaAs effective mass all over the structure. L GaAs AlGaAs 0.25 eV m* GaAs = 0.05 m 0

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The single-band effective mass equation: L 0.25 eV m* GaAs = 0.05 m 0 V(x) Let us use atomic units (ħ=m 0 =e=1) Lb f(0)=0BC: f(L t )=0

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Numerical integration of the differential equation: finite differences Discretization grid x1x1 x2x2 xnxn How do we approximate the derivatives at each point? i-1i+1i hh fifi f i-1 f i+1 Step of the grid f1f1 f2f2...fnfn

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1. Define discretization grid 2. Discretize the equation: FINITE DIFFERENCES METHOD i=1 i=n i=2 h 0 LtLt 3. Group coefficients of fwd/center/bwd points

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We now have a standard diagonalization problem (dim n-2): Trivial eqs: f 1 = 0, f n = 0. Matriz (n-2) x (n-2) - sparse Extreme eqs: 0 0 i=1 i=n i=2

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The result should look like this: n=1 n=2 n=3 n=4 finite wall infinite wall

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PROBLEM 1 – Additional questions a)Compare the converged energies with those of the particle-in-the-box with infinite walls for the n=1,2,3 states. b) Use the routine plotwf.m to visualize the 3 lowest eigenstates for L=15 nm, L b =10 nm. What is different from the infinite wall eigenstates?

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PROBLEM 2. Calculate the electron energy spectrum of two coupled QDs as a function of their separation S. Plot the two lowest states for S=1 nm and S=10 nm. L=10 nm GaAs AlGaAs L=10 nm GaAs AlGaAs S x

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bondingantibondingbondingantibonding The result should look like this:

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PROBLEM 3. Calculate the electron energy spectrum of N=20 coupled QDs as a function of their separation S. Plot the charge density of the n=1,2 and n=21,22 states for S=1 nm and L=5 nm.

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The result should look like this (numerical instabilities aside):

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n=1 n=2 n=21 n=22

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PROBLEM 4. Write a code to calculate the energies of an electron in a 2D cylindrical quantum ring with inner radius R in and outer radius R out, subject to an axial magnetic field B. Calculate the energies as a function of B=0-20 T for a structure with (R in,R out )=(0,30) nm –i.e. a quantum disk- and for (3,30) nm –a quantum ring-. L b =10 nm. Discuss the role of the linear and quadratic magnetic terms in each case. ρ B V(ρ,Φ) GaAs AlGaAs

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Hint 1: after integrating Φ, the Hamiltonian reads (atomic units): with M z =0, ±1, ±2... the angular momentum z-projection. 1 atomic unit of magnetic field = 235054 Tesla. GaAs AlGaAs Hint 2: describe the radial potential as where ρ=0 is the center of the ring ρ Hint 3: use the following BC f(L t )=0 (i.e. f n =0) If M z =0, then f’(0)=0 (i.e. f 1 =f 2 ) If M z ≠0, then f(0)=0 (i.e. f 1 =0) LbLb R out R in

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The results should look like this: Disk (R in =0) Ring (R in =3 nm)

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