Unformatted text preview: s Es= - 0.9 eV, Vs,a= - 0.4 eV, Vs,a-d = - 0.2 eV Energy Band for 1-D Lattice
Two orbital, single atom basis
Hamiltonian Matrix Preview Problem: 2D Monatomic Square Crystals LCAO Basis for FCC Crystals
LCAO Ga: [Ar]3d10 4s2 4p1
As: [Ar]3d10 4s2 4p3 Tight-binding for 3-D Crystals
Crystals Best estimate for energy with LCAO basis…. Hamiltonian matrix…. Overlap matrix…. Tight-binding for 3-D Crystals
Crystals Since the probability of finding electrons at each lattice site is equal… Consequently… Orbital Overlaps for 3-D Crystals
Crystals distance from positive to negative lobe of p-orbital Orbital Overlaps for 3-D Crystals
Crystals Orbital Overlaps for 3-D Crystals
Diamond and Zincblende
Zincblende 2D Monatomic Square Crystals 2D Monatomic Square Crystals
Dispersion Relations Es...
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This document was uploaded on 03/19/2014 for the course EECS 6.730 at MIT.
- Spring '03