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Wei E.I. Sha (沙威)

College of Information Science & Electronic Engineering Zhejiang University, Hangzhou 310027, P. R. China

Email: [email protected] Website: http://www.isee.zju.edu.cn/weisha Course Overview

1. Charge and Electrostatic 2. Electric Displacement and 3. Potential and Gauss Law 4. Poisson’s Equation 5. Debye (Screening) Length 6. Electrostatic Energy and 7. Boundary Conditions

Slide 2/17 Wei SHA 1. Charge and Electrostatic Field (1)

Two point charges repel each other with a (experimental results)

= QQ12 FaR 4πε r2 ε

Electric field E force on a unit charge

Qq = ==F Q FaR EaR 4πε r2 qr4πε 2

Slide 3/17 Ref: Xie, Section 2.1 & 2.2 Wei SHA 1. Charge and Electrostatic Field (2) r observation point ′ ri positon of Qi (source point) ′ A unit normal vector i rr− a = i pointed from source point to R − ′ ||rri observation point N 1 Q i Er()=  i a 1()ρ r′ πε 2 R Er()=  a dv ' 4 i=1|-rr′ | πε 2 R i 4 v' rr- ′ 1()r′ ρ →−δ ′ = ρ ()rr-'′ dv iiQ ()rri πε 3 4 v' rr- ′ for point charge

Slide 4/17 Wei SHA 1. Charge and Electrostatic Field (3)

(a) Line Charges dl Line charge P density, ρ (C/m) L dS (b) Surface Charges 2 density, ρS (C/m )

(c) Vo lu me Ch arg es Vo lu me ch arg e dv 3 density, ρV (C/m )

Slide 5/17 Wei SHA 1. Charge and Electrostatic Field (4)

What are the charges in optoelectronic devices?

Electrons, Holes, Excitons (bound e-h pair), Positive and Negative ….

Interplay of charges is essential to optoelectronics.

Slide 6/17 Wei SHA 2. Electric Displacement and Polarization Density

In a material, the presence of an electrostatic field E causes the bound charges in the material (atomic nuclei and their ) to slightly separate, inducing a local electric moment. In a linear, homogeneous, isotropic dielectric ==εε ε +=+ ε χ DE000 EPE E ε 0 permittivity (permittivity of free space) the density of the permanent and induced P electric dipole moments in the material, called the polarization density

χ susceptibility ε =+χ r 1 (dielectric constant) Slide 7/17 Ref: Xie, Section 2.4 Wei SHA 3. Potential and Gauss Law (1)

The done to move a point charge from one point to another is independent of the path taken!

Wdqd=⋅=⋅=Fl El0 ΓΓ

Electrostatic field is conservative. Is there other field is conservative?

El⋅=∇×⋅=−∇×∇Φ⋅=dd ES()0 d S Γ SS

E =−∇Φ Φ is a scalar quantity called electrostatic potential ρ ′ ρ ′′ = 1()r 1()r dv Er() aRdv ' Φ=()r  πε 2 πε ′ 4 v' rr- ′ 4-v′ rr

Slide 8/17 Ref: Xie, Section 3.1 Wei SHA 3. Potential and Gauss Law (2)

Gauss Law  DS⋅=dQ ∇⋅D = ρ S

𝑑𝐒 : area element normal to an arbitrary surface

𝐚𝐑 : a unit normal vector to the spherical surface

⋅=QQaSR⋅d =αθθ = Q2 ϕ ESddSrddπε (cos ) ( sin ) 42rr44 2 r 2 cosα dS is an elemental πε πε area on a spherical surface of radius r

Slide 9/17 Wei SHA 4. Poisson’s Equation (1)

DrE= ε () E =−∇Φ ∇⋅D = ρ free charge

Poisson equation: governing equation for electrostatic problem

∇⋅(()ε r ∇Φ ) =−ρ

Could we put permittivity out of operator?

Optoelectronic device is inhomogeneous!

ETL: transport layer HTL: hole transport layer BHJ: bulk heterojunction Red line: boundary conditions imposed

Slide 10/17 Wei SHA 4. Poisson’s Equation (2)

input input 𝜌 output output 𝛷

solution of Poisson’s equation in free space 1 Φ=()rrρ (′′ ) dv  ′ ′ 4|rr− | v πε0

Slide 11/17 Ref: Chew, Section 3.3.2 and 3.3.3 Wei SHA 4. Poisson’s Equation (3) —— Green’s function (Optional)

1 ∇⋅εδ ∇()′′ =− − ()0 g rr,() r r 𝑔 𝐫, 𝐫 = 4𝜋𝜀|𝐫 − 𝐫 | rr≠ ′ rr= ′ singular problem

∇⋅εδ ∇1 ′′′ =− − 0 dv()rr dv 4|rr− ′ | c vv′′πε0 ∇⋅ ∇ =0 ||rr− ′ 11  ∇⋅dS′ =−1  π S′ 4 R 1 −a R ⋅=−dS′ 1  π 2 S′ 4 R −1 aS⋅=−d ′ 1 π 2  R 4 R S′ Slide 12/17 Wei SHA 5. Electrostatic Energy and Capacitance (1) The work done is equal to the change in electrostatic energy (move a positive charge from one point to the other)

WQ=⋅=−∇Φ⋅=Φ−ΦEl d Q d l Q()  A B ΓΓ

1. The electrostatic energy of a positive charge Q at position r in the presence of a potential Φ =Φ UQE ()r

2. The electrostatic energy stored in a system of three and N point charges

≠ 1 QQ QQ QQ 11N Nji()Q =++12 13 23 = j U E UQEi 4πε RRR πε 012132324ij==110 Rij

Slide 13/17 Wei SHA 5. Electrostatic Energy and Capacitance (2)

The total electrostatic energy stored in a is

11 UQVCV==2 E 22 Capacitance

Energy density (energy per unit volume) of the electrostatic field 11 1 Udvdvdv=Φ=∇⋅Φ=⋅−∇Φρ DD() E   vv22 v 2 11 =⋅=⋅DEdv EE dv 22 vvε

Slide 14/17 Wei SHA 6. Debye (Screening) Length (Thomas–Fermi screening length) is a measure of a charge carrier’s net electrostatic effect and how far its electrostatic effect persists.

The Debye length of semiconductors is given ε is the dielectric constant

kB is the Boltzmann’s constant T is the kelvins temperature

Ndop is the net density of dopants

Slide 15/17 Wei SHA 7. Boundary Conditions (1)

Tangential component of E field is continuous across dielectric boundary  El⋅=d 0 Γ θθ= EE1122sin sin = EE12tt

Normal component of D field is continuous across dielectric boundary  DS⋅=d 0 S θθ= DD1122cos cos = DD12nn

Slide 16/17 Ref: Xie, Section 3.1.1 and 3.4 Wei SHA 7. Boundary Conditions (2)

Dirichlet boundary condition (Red line)

Φ= ()|r r→∞ 0 unbounded problem (reference potential)

Φ=()|r = V electrodes (optoelectronics) rre

Neumann boundary condition (Blue line)  ∂Φ()r εσ = surface charge rS∈ s ∂n (semiconductor- interface)  ∂Φ()r non-electrode (truncation) boundaries ∈ = 0 ∂n rS (floating BCs, optoelectronics)

Slide 17/17 Wei SHA