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7. Energy Bands Bloch Functions Nearly Free Electron Model

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Presentation on theme: "7. Energy Bands Bloch Functions Nearly Free Electron Model"— Presentation transcript:

1 7. Energy Bands Bloch Functions Nearly Free Electron Model
Kronig-Penney Model Wave Equation of Electron in a Periodic Potential Number of Orbitals in a Band

2 Some successes of the free electron model: C, κ, σ, χ, …
Some failures of the free electron model: Distinction between metals, semimetals, semiconductors & insulators. Positive values of Hall coefficent. Relation between conduction & valence electrons. Magnetotransport. Band model finite T impurities New concepts: Effective mass Holes

3 Nearly Free Electron Model
Bragg reflection → no wave-like solutions → energy gap Bragg condition:

4 Origin of the Energy Gap

5 Bloch Functions Periodic potential → Translational symmetry → Abelian group T = {T(Rl)} k-representation of T(Rl) is Basis = Corresponding basis function for the Schrodinger equation must satisfy or This can be satisfied by the Bloch function where → representative values of k are contained inside the Brillouin zone.

6 Kronig-Penney Model Bloch theorem: ψ(0) continuous: ψ(a) continuous:

7 Delta function potential: Thus so that

8

9 Matrix Mechanics Ansatz Matrix equation Eigen-problem
Secular equation: Orthonormal basis:

10 Fourier Series of the Periodic Potential
V = Volume of crystal   volume of unit cell For a lattice with atomic basis at positions ρα in the unit cell is the structural factor

11 Plane Wave Expansion Bloch function
V = Volume of crystal Matrix form of the Schrodinger equation: n = 0: (central equation)

12 Crystal Momentum of an Electron
Properties of k: U = 0 → Selection rules in collision processes → crystal momentum of electron is  k. Eq., phonon absorption:

13 Solution of the Central Equation
1-D lattice, only

14 Kronig-Penney Model in Reciprocal Space
(only s = 0 term contributes) Eigen-equation:

15 (Kronig-Penney model)
with

16 Empty Lattice Approximation
Free electron in vacuum: Free electron in empty lattice: Simple cubic

17 Approximate Solution Near a Zone Boundary
Weak U, λk2g >> U k near zone right boundary: for E near λk

18 K << g/2

19

20 Number of Orbitals in a Band
Linear crystal of length L composed of of N cells of lattice constant a. Periodic boundary condition: → N inequivalent values of k Generalization to 3-D crystals: Number of k points in 1st BZ = Number of primitive cells → Each primitive cell contributes one k point to each band. Crystals with odd numbers of electrons in primitive cell must be metals, e.g., alkali & noble metals insulator metal semi-metal


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