Level 5 — MasteryBand Theory & Carrier Physics

Band Theory & Carrier Physics

90 minutes60 marksprintable — key stays hidden on paper

Level: 5 — Mastery (cross-domain: math + physics + coding, build/prove) Time limit: 90 minutes Total marks: 60

Constants (use as needed): kB=1.381×1023 J/K=8.617×105 eV/Kk_B = 1.381\times10^{-23}\ \text{J/K} = 8.617\times10^{-5}\ \text{eV/K}, q=1.602×1019 Cq = 1.602\times10^{-19}\ \text{C}. For Si at 300 K300\ \text{K}: ni=1.0×1010 cm3n_i = 1.0\times10^{10}\ \text{cm}^{-3}, Eg=1.12 eVE_g = 1.12\ \text{eV}, Nc=2.8×1019 cm3N_c = 2.8\times10^{19}\ \text{cm}^{-3}, Nv=1.04×1019 cm3N_v = 1.04\times10^{19}\ \text{cm}^{-3}.


Question 1 — Fermi–Dirac, band occupancy & mass-action derivation (22 marks)

(a) Starting from the Fermi–Dirac distribution f(E)=11+e(EEF)/kBT,f(E) = \frac{1}{1 + e^{(E-E_F)/k_BT}}, prove that under the Boltzmann (non-degenerate) approximation the equilibrium electron and hole concentrations reduce to n=Nce(EcEF)/kBT,p=Nve(EFEv)/kBT,n = N_c\,e^{-(E_c-E_F)/k_BT}, \qquad p = N_v\,e^{-(E_F-E_v)/k_BT}, stating clearly the condition on (EcEF)(E_c-E_F) and (EFEv)(E_F-E_v) that justifies the approximation. (6)

(b) Hence derive the mass-action law np=ni2np = n_i^2 and show that ni=NcNv  eEg/2kBT,Eg=EcEv.n_i = \sqrt{N_cN_v}\;e^{-E_g/2k_BT}, \qquad E_g = E_c - E_v. Explain physically why npnp is independent of the doping. (5)

(c) Derive an expression for the intrinsic Fermi level EiE_i relative to the mid-gap, i.e. show Ei=Ec+Ev2+kBT2ln ⁣(NvNc),E_i = \frac{E_c+E_v}{2} + \frac{k_BT}{2}\ln\!\left(\frac{N_v}{N_c}\right), and compute the offset of EiE_i from mid-gap for Si at 300 K300\ \text{K} in meV. State toward which band EiE_i shifts. (5)

(d) A Si sample is doped with ND=1×1017 cm3N_D = 1\times10^{17}\ \text{cm}^{-3} donors (fully ionised). Compute nn, pp, and the position of EFE_F relative to EiE_i (in eV) at 300 K300\ \text{K}. Identify majority and minority carriers. (6)


Question 2 — Transport: drift, diffusion, Einstein relation (build/prove) (20 marks)

(a) Define drift current density and diffusion current density for electrons and write the total electron current density JnJ_n as one expression in terms of EE-field, nn, and dn/dxdn/dx. (4)

(b) Consider a semiconductor in thermal equilibrium (zero net current) with a non-uniform doping that produces a built-in field E(x)=dVdx\mathcal{E}(x) = -\dfrac{dV}{dx}. Using Jn=0J_n = 0 and n(x)=nie(EFEi)/kBTn(x) = n_i\,e^{(E_F - E_i)/k_BT}, prove the Einstein relation Dnμn=kBTq.\frac{D_n}{\mu_n} = \frac{k_BT}{q}. Show every step, including where the equilibrium condition (constant EFE_F) enters. (8)

(c) For Si at 300 K300\ \text{K} with μn=1350 cm2/V⋅s\mu_n = 1350\ \text{cm}^2/\text{V·s}, compute DnD_n. A linear electron concentration profile drops from n(0)=1×1016n(0)=1\times10^{16} to n(1μm)=1×1015 cm3n(1\,\mu\text{m})=1\times10^{15}\ \text{cm}^{-3}. Compute the diffusion current density Jn,diffJ_{n,\text{diff}} (state magnitude and direction of conventional current). (5)

(d) Explain, using band diagrams and the equilibrium result of (b), why a non-uniformly doped semiconductor with no external bias carries zero net current despite having both a concentration gradient and an internal field. (3)


Question 3 — Temperature dependence + computational model (18 marks)

(a) For an intrinsic semiconductor, show that ln ⁣(niT3/2)=constEg2kB1T,\ln\!\left(\frac{n_i}{T^{3/2}}\right) = \text{const} - \frac{E_g}{2k_B}\cdot\frac{1}{T}, given Nc,NvT3/2N_c, N_v \propto T^{3/2}. Explain how a plot of ln(ni/T3/2)\ln(n_i/T^{3/2}) vs 1/T1/T yields EgE_g. (5)

(b) A doped semiconductor (ND=1015 cm3N_D = 10^{15}\ \text{cm}^{-3}) shows three temperature regimes: freeze-out, extrinsic (saturation), and intrinsic. Sketch and label log10(n)\log_{10}(n) vs 1/T1/T, and explain the dominant physics in each regime and the transition to intrinsic behaviour when ni(T)NDn_i(T) \gtrsim N_D. (6)

(c) Write a Python function (using NumPy) n_majority(T, ND, Nc300, Nv300, Eg) that returns the electron concentration in an n-type sample assuming complete ionisation, using n=ND2+(ND2)2+ni(T)2,n = \frac{N_D}{2} + \sqrt{\left(\frac{N_D}{2}\right)^2 + n_i(T)^2}, with Nc(T)=Nc,300(T/300)3/2N_c(T)=N_{c,300}(T/300)^{3/2}, NvN_v analogously, and ni(T)=NcNveEg/2kBTn_i(T)=\sqrt{N_cN_v}\,e^{-E_g/2k_BT}. Then state the two limiting values your function returns when niNDn_i \ll N_D and when niNDn_i \gg N_D. (7)

Answer keyMark scheme & solutions

Question 1

(a) (6 marks) Electron density: n=Ecgc(E)f(E)dEn = \int_{E_c}^{\infty} g_c(E) f(E)\,dE. For (EEF)kBT(E-E_F)\gg k_BT (i.e. EFE_F several kBTk_BT below EcE_c), the "+1" is negligible: f(E)e(EEF)/kBT.(2)f(E)\approx e^{-(E-E_F)/k_BT}. \quad(2) Integrating the parabolic band DOS with this Boltzmann tail gives the standard effective-DOS result: n=Nce(EcEF)/kBT.(2)n = N_c\,e^{-(E_c-E_F)/k_BT}. \quad(2) For holes, 1f(E)=11+e(EFE)/kBTe(EFE)/kBT1-f(E) = \dfrac{1}{1+e^{(E_F-E)/k_BT}} \approx e^{-(E_F-E)/k_BT} for (EFE)kBT(E_F-E)\gg k_BT, giving p=Nve(EFEv)/kBT.(2)p = N_v\,e^{-(E_F-E_v)/k_BT}. \quad(2) Condition: EcEFkBTE_c-E_F \gg k_BT and EFEvkBTE_F-E_v \gg k_BT (Fermi level well inside gap; non-degenerate). (condition stated within marks)

(b) (5 marks) Multiply: np=NcNve(EcEF)/kBTe(EFEv)/kBT=NcNve(EcEv)/kBT=NcNveEg/kBT.(2)np = N_cN_v\,e^{-(E_c-E_F)/k_BT}e^{-(E_F-E_v)/k_BT}=N_cN_v\,e^{-(E_c-E_v)/k_BT}=N_cN_v\,e^{-E_g/k_BT}. \quad(2) EFE_F cancels → RHS depends only on material + TT, not doping. (1) For intrinsic material n=p=nin=p=n_i, so ni2=NcNveEg/kBTn_i^2 = N_cN_v e^{-E_g/k_BT}ni=NcNveEg/2kBTn_i=\sqrt{N_cN_v}\,e^{-E_g/2k_BT}. (1) Since npnp has no EFE_F-dependence it equals its intrinsic value ni2n_i^2 for any doping (as long as non-degenerate) → np=ni2np=n_i^2. Physically, more electrons enhance recombination and suppress holes in exact proportion. (1)

(c) (5 marks) Intrinsic: n=pn=p: Nce(EcEi)/kBT=Nve(EiEv)/kBTN_c e^{-(E_c-E_i)/k_BT}=N_v e^{-(E_i-E_v)/k_BT}. (2) Take ln: lnNcEcEikBT=lnNvEiEvkBT\ln N_c -\frac{E_c-E_i}{k_BT}=\ln N_v-\frac{E_i-E_v}{k_BT}. Solve for EiE_i: Ei=Ec+Ev2+kBT2lnNvNc.(2)E_i=\frac{E_c+E_v}{2}+\frac{k_BT}{2}\ln\frac{N_v}{N_c}. \quad(2) Offset =kBT2ln(Nv/Nc)=0.025852ln(1.04×1019/2.8×1019)=\frac{k_BT}{2}\ln(N_v/N_c)=\frac{0.02585}{2}\ln(1.04\times10^{19}/2.8\times10^{19}) eV =0.012925×ln(0.3714)=0.012925×(0.9905)=0.0128=0.012925\times\ln(0.3714)=0.012925\times(-0.9905)=-0.0128 eV 12.8 meV\approx -12.8\ \text{meV}. Negative ⇒ EiE_i lies below mid-gap (toward valence band, since Nv<NcN_v<N_c). (1)

(d) (6 marks) ND=1017niN_D=10^{17}\gg n_inND=1×1017 cm3n\approx N_D = 1\times10^{17}\ \text{cm}^{-3}. (2) p=ni2/n=(1010)2/1017=1020/1017=1×103 cm3p=n_i^2/n=(10^{10})^2/10^{17}=10^{20}/10^{17}=1\times10^{3}\ \text{cm}^{-3}. (2) EFEi=kBTln(n/ni)=0.02585ln(1017/1010)=0.02585×ln(107)=0.02585×16.118=0.4167 eV0.417 eVE_F-E_i=k_BT\ln(n/n_i)=0.02585\ln(10^{17}/10^{10})=0.02585\times\ln(10^7)=0.02585\times16.118=0.4167\ \text{eV}\approx0.417\ \text{eV}. (1) Majority = electrons; minority = holes. (1)


Question 2

(a) (4 marks) Drift: Jn,drift=qnμnEJ_{n,\text{drift}}=qn\mu_n\mathcal{E} (1). Diffusion: Jn,diff=qDndndxJ_{n,\text{diff}}=qD_n\dfrac{dn}{dx} (1) (positive because electrons carry q-q and flow opposite to their particle flux). Total: Jn=qnμnE+qDndndx.(2)J_n = qn\mu_n\mathcal{E} + qD_n\frac{dn}{dx}. \quad(2)

(b) (8 marks) Set Jn=0J_n=0: qnμnE+qDndndx=0qn\mu_n\mathcal{E} + qD_n\dfrac{dn}{dx}=0. (1) With n=nie(EFEi)/kBTn=n_i e^{(E_F-E_i)/k_BT}, differentiate: dndx=n1kBT(dEFdxdEidx).(2)\frac{dn}{dx}=n\cdot\frac{1}{k_BT}\left(\frac{dE_F}{dx}-\frac{dE_i}{dx}\right). \quad(2) Equilibrium ⇒ EFE_F constant ⇒ dEF/dx=0dE_F/dx=0. (1) EiE_i tracks the band edges/electrostatic potential: Ei=constqV(x)E_i=\text{const}-qV(x) so dEidx=qdVdx=qE\dfrac{dE_i}{dx}=-q\dfrac{dV}{dx}=q\mathcal{E} (with E=dV/dx\mathcal{E}=-dV/dx). (1) Thus dndx=nqEkBT\dfrac{dn}{dx}=n\cdot\dfrac{-q\mathcal{E}}{k_BT}. (1) Substitute into Jn=0J_n=0: qnμnE+qDn(qnEkBT)=0μn=qDnkBTDnμn=kBTq.(2)qn\mu_n\mathcal{E}+qD_n\left(\frac{-qn\mathcal{E}}{k_BT}\right)=0 \Rightarrow \mu_n=\frac{qD_n}{k_BT}\Rightarrow \boxed{\frac{D_n}{\mu_n}=\frac{k_BT}{q}}. \quad(2)

(c) (5 marks) Dn=μnkBTq=1350×0.02585=34.9 cm2/sD_n=\mu_n\cdot\frac{k_BT}{q}=1350\times0.02585 = 34.9\ \text{cm}^2/\text{s}. (2) Gradient: dndx=101510161×104 cm=9×1015104=9×1019 cm4\dfrac{dn}{dx}=\dfrac{10^{15}-10^{16}}{1\times10^{-4}\ \text{cm}}=\dfrac{-9\times10^{15}}{10^{-4}}=-9\times10^{19}\ \text{cm}^{-4}. (1) Jn,diff=qDndndx=1.602×1019×34.9×(9×1019)J_{n,\text{diff}}=qD_n\dfrac{dn}{dx}=1.602\times10^{-19}\times34.9\times(-9\times10^{19}) =1.602×1019×(3.141×1021)=503 A/cm2=1.602\times10^{-19}\times(-3.141\times10^{21})=-503\ \text{A/cm}^2. (1) Magnitude 5.0×102 A/cm2\approx5.0\times10^{2}\ \text{A/cm}^2; sign negative ⇒ conventional current flows in x-x direction (electrons diffuse from high to low nn, i.e. +x+x, so conventional current is x-x). (1)

(d) (3 marks) Band diagram: non-uniform doping bends the bands so that EFE_F stays flat (horizontal) across the sample. (1) The built-in field pushes electrons one way (drift); the concentration gradient drives diffusion the other way. (1) In equilibrium these are exactly equal and opposite (the Einstein relation guarantees cancellation for each carrier), giving J=0J=0; a flat EFE_F is the signature of equilibrium/zero net current. (1)


Question 3

(a) (5 marks) ni=NcNveEg/2kBTn_i=\sqrt{N_cN_v}\,e^{-E_g/2k_BT} with Nc,NvT3/2N_c,N_v\propto T^{3/2}NcNvT3/2\sqrt{N_cN_v}\propto T^{3/2}. (2) So ni=CT3/2eEg/2kBTn_i = C\,T^{3/2}e^{-E_g/2k_BT}niT3/2=CeEg/2kBT\dfrac{n_i}{T^{3/2}}=C\,e^{-E_g/2k_BT}. (1) Take ln: ln(ni/T3/2)=lnCEg2kB1T\ln(n_i/T^{3/2})=\ln C - \dfrac{E_g}{2k_B}\cdot\dfrac1T. (1) A plot vs 1/T1/T is linear with slope Eg/2kB-E_g/2k_B; multiply slope by 2kB-2k_B to extract EgE_g. (1)

(b) (6 marks) Curve shape (3 regions) correctly ordered on logn\log n vs 1/T1/T (increasing 1/T1/T to the right): (2)

  • Freeze-out (high 1/T1/T, low TT): donors not fully ionised; nn rises steeply with TT as electrons are thermally released from donor levels (eED/2kBT\propto e^{-E_D/2k_BT}-type). (1.5)
  • Extrinsic/saturation (mid range): all donors ionised, niNDn_i\ll N_D, so nNDn\approx N_D ≈ constant (flat plateau). (1.5)
  • Intrinsic (low 1/T1/T, high TT): ni(T)n_i(T) grows exponentially; once niNDn_i\gtrsim N_D, nnin\to n_i and rises steeply again (slope Eg/2kB-E_g/2k_B). (1)

(c) (7 marks)

import numpy as np
def n_majority(T, ND, Nc300, Nv300, Eg):
    kB = 8.617e-5  # eV/K
    Nc = Nc300 * (T/300.0)**1.5
    Nv = Nv300 * (T/300.0)**1.5
    ni = np.sqrt(Nc*Nv) * np.exp(-Eg/(2*kB*T))
    return ND/2.0 + np.sqrt((ND/2.0)**2 + ni**2)

Marks: correct Nc,NvN_c,N_v scaling (2), correct nin_i (2), correct charge-neutrality formula returned (2). Limits (1): when niNDn_i\ll N_D, nNDn\to N_D (extrinsic); when niNDn_i\gg N_D, nnin\to n_i (intrinsic).


[
  {"claim":"Q1c: E_i offset from midgap ≈ -12.8 meV","code":"kT=8.617e-5*300; off=kT/2*log(1.04e19/2.8e19)*1000; result = abs(float(off)-(-12.8))<0.3"},
  {"claim":"Q1d: p = ni^2/ND = 1e3 cm^-3","code":"p=(1.0e10**2)/1.0e17; result = abs(p-1000.0)<1e-6"},
  {"claim":"Q1d: EF-Ei = kT ln(n/ni) ≈ 0.417 eV","code":"kT=8.617e-5*300; d