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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
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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
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Nearly Free Electron Model
Bragg reflection → no wave-like solutions → energy gap Bragg condition: →
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Origin of the Energy Gap
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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.
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Kronig-Penney Model Bloch theorem: ψ(0) continuous: ψ(a) continuous:
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→ Delta function potential: Thus so that
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Matrix Mechanics Ansatz Matrix equation Eigen-problem
Secular equation: Orthonormal basis:
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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
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Plane Wave Expansion Bloch function
V = Volume of crystal Matrix form of the Schrodinger equation: n = 0: (central equation)
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Crystal Momentum of an Electron
Properties of k: → U = 0 → Selection rules in collision processes → crystal momentum of electron is k. Eq., phonon absorption:
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Solution of the Central Equation
1-D lattice, only
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Kronig-Penney Model in Reciprocal Space
(only s = 0 term contributes) Eigen-equation: →
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(Kronig-Penney model)
→ with
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Empty Lattice Approximation
Free electron in vacuum: Free electron in empty lattice: Simple cubic
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Approximate Solution Near a Zone Boundary
Weak U, λk2g >> U k near zone right boundary: → for E near λk
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K << g/2
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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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