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Pertemuan 1 - 4 FISIKA ZAT PADAT Iwan Sugihartono, M.Si Jurusan Fisika Fakultas Matematika dan Ilmu Pengetahuan Alam
ENERGY BANDS ,[object Object],[object Object],[object Object],[object Object],[object Object],10/03/11 ©  2010 Universitas Negeri Jakarta  |  www.unj.ac.id  |
Some successes of the free electron model: C,  κ ,  σ ,  χ ,  … ,[object Object],[object Object],[object Object],[object Object],[object Object],Band model ,[object Object],[object Object],[object Object],finite T impurities 10/03/11 ©  2010 Universitas Negeri Jakarta  |  www.unj.ac.id  |
NEARLY FREE ELECTRON MODEL Bragg reflection  -> no wave-like solutions ->  energy gap Bragg condition: -> 10/03/11 ©  2010 Universitas Negeri Jakarta  |  www.unj.ac.id  |
ORIGIN OF THE ENERGY GAP 10/03/11 ©  2010 Universitas Negeri Jakarta  |  www.unj.ac.id  |
BLOCH FUNCTIONS Periodic potential  ->  Translational symmetry  ->  Abelian group  T  = { T ( R l )}  k -representation  of  T ( R l )  is Corresponding basis function for the Schrodinger equation must satisfy  This can be satisfied by the Bloch function where or ->  representative values of  k  are contained inside the Brillouin zone.  Basis =  10/03/11 ©  2010 Universitas Negeri Jakarta  |  www.unj.ac.id  |
KRONIG-PENNEY MODEL Bloch theorem: ψ    (0) continuous: ψ    ( a ) continuous: ψ (0) continuous: ψ ( a ) continuous: 10/03/11 ©  2010 Universitas Negeri Jakarta  |  www.unj.ac.id  |
-> Delta function potential:  Thus so that 10/03/11 ©  2010 Universitas Negeri Jakarta  |  www.unj.ac.id  |
10/03/11 ©  2010 Universitas Negeri Jakarta  |  www.unj.ac.id  |
MATRIX MECHANICS Ansatz  Secular equation: Matrix equation Orthonormal basis: Eigen-problem 10/03/11 ©  2010 Universitas Negeri Jakarta  |  www.unj.ac.id  |
FOURIER SERIES OF THE PERIODIC POTENTIAL ->    = Volume of crystal       volume of unit cell For a lattice with atomic basis at positions  ρ α   in the unit cell is the structural factor -> 10/03/11 ©  2010 Universitas Negeri Jakarta  |  www.unj.ac.id  |
PLANE WAVE EXPANSION Bloch function    = Volume of crystal Matrix form of the Schrodinger equation: (central equation) n  = 0: 10/03/11 ©  2010 Universitas Negeri Jakarta  |  www.unj.ac.id  |
CRYSTAL MOMENTUM OF AN ELECTRON Properties of  k : -> U  = 0  -> Selection rules in collision processes -> crystal momentum of electron is     k . Eq.,  phonon absorption: 10/03/11 ©  2010 Universitas Negeri Jakarta  |  www.unj.ac.id  |
SOLUTION OF THE CENTRAL EQUATION 1-D lattice, only 10/03/11 ©  2010 Universitas Negeri Jakarta  |  www.unj.ac.id  |
KRONIG-PENNEY MODEL IN RECIPROCAL SPACE (only  s  = 0 term contributes) Eigen-equation: -> 10/03/11 ©  2010 Universitas Negeri Jakarta  |  www.unj.ac.id  |
-> (Kronig-Penney model) with 10/03/11 ©  2010 Universitas Negeri Jakarta  |  www.unj.ac.id  |
EMPTY LATTICE APPROXIMATION Free electron in vacuum: Free electron in empty lattice: Simple cubic 10/03/11 ©  2010 Universitas Negeri Jakarta  |  www.unj.ac.id  |
APPROXIMATE SOLUTION NEAR A ZONE BOUNDARY k  near zone right boundary: Weak  U ,  λ k  2 g  >>  U -> for  E  near  λ k 10/03/11 ©  2010 Universitas Negeri Jakarta  |  www.unj.ac.id  |
K  <<  g /2 10/03/11 ©  2010 Universitas Negeri Jakarta  |  www.unj.ac.id  |
10/03/11 ©  2010 Universitas Negeri Jakarta  |  www.unj.ac.id  |
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 1 st  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 metal semi-metal insulator 10/03/11 ©  2010 Universitas Negeri Jakarta  |  www.unj.ac.id  |
THANK YOU 10/03/11 ©  2010 Universitas Negeri Jakarta  |  www.unj.ac.id  |

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1- 4 a Energy Bands

  • 1. Pertemuan 1 - 4 FISIKA ZAT PADAT Iwan Sugihartono, M.Si Jurusan Fisika Fakultas Matematika dan Ilmu Pengetahuan Alam
  • 2.
  • 3.
  • 4. NEARLY FREE ELECTRON MODEL Bragg reflection -> no wave-like solutions -> energy gap Bragg condition: -> 10/03/11 © 2010 Universitas Negeri Jakarta | www.unj.ac.id |
  • 5. ORIGIN OF THE ENERGY GAP 10/03/11 © 2010 Universitas Negeri Jakarta | www.unj.ac.id |
  • 6. BLOCH FUNCTIONS Periodic potential -> Translational symmetry -> Abelian group T = { T ( R l )} k -representation of T ( R l ) is Corresponding basis function for the Schrodinger equation must satisfy This can be satisfied by the Bloch function where or -> representative values of k are contained inside the Brillouin zone. Basis = 10/03/11 © 2010 Universitas Negeri Jakarta | www.unj.ac.id |
  • 7. KRONIG-PENNEY MODEL Bloch theorem: ψ  (0) continuous: ψ  ( a ) continuous: ψ (0) continuous: ψ ( a ) continuous: 10/03/11 © 2010 Universitas Negeri Jakarta | www.unj.ac.id |
  • 8. -> Delta function potential: Thus so that 10/03/11 © 2010 Universitas Negeri Jakarta | www.unj.ac.id |
  • 9. 10/03/11 © 2010 Universitas Negeri Jakarta | www.unj.ac.id |
  • 10. MATRIX MECHANICS Ansatz Secular equation: Matrix equation Orthonormal basis: Eigen-problem 10/03/11 © 2010 Universitas Negeri Jakarta | www.unj.ac.id |
  • 11. FOURIER SERIES OF THE PERIODIC POTENTIAL ->  = Volume of crystal   volume of unit cell For a lattice with atomic basis at positions ρ α in the unit cell is the structural factor -> 10/03/11 © 2010 Universitas Negeri Jakarta | www.unj.ac.id |
  • 12. PLANE WAVE EXPANSION Bloch function  = Volume of crystal Matrix form of the Schrodinger equation: (central equation) n = 0: 10/03/11 © 2010 Universitas Negeri Jakarta | www.unj.ac.id |
  • 13. CRYSTAL MOMENTUM OF AN ELECTRON Properties of k : -> U = 0 -> Selection rules in collision processes -> crystal momentum of electron is  k . Eq., phonon absorption: 10/03/11 © 2010 Universitas Negeri Jakarta | www.unj.ac.id |
  • 14. SOLUTION OF THE CENTRAL EQUATION 1-D lattice, only 10/03/11 © 2010 Universitas Negeri Jakarta | www.unj.ac.id |
  • 15. KRONIG-PENNEY MODEL IN RECIPROCAL SPACE (only s = 0 term contributes) Eigen-equation: -> 10/03/11 © 2010 Universitas Negeri Jakarta | www.unj.ac.id |
  • 16. -> (Kronig-Penney model) with 10/03/11 © 2010 Universitas Negeri Jakarta | www.unj.ac.id |
  • 17. EMPTY LATTICE APPROXIMATION Free electron in vacuum: Free electron in empty lattice: Simple cubic 10/03/11 © 2010 Universitas Negeri Jakarta | www.unj.ac.id |
  • 18. APPROXIMATE SOLUTION NEAR A ZONE BOUNDARY k near zone right boundary: Weak U , λ k  2 g >> U -> for E near λ k 10/03/11 © 2010 Universitas Negeri Jakarta | www.unj.ac.id |
  • 19. K << g /2 10/03/11 © 2010 Universitas Negeri Jakarta | www.unj.ac.id |
  • 20. 10/03/11 © 2010 Universitas Negeri Jakarta | www.unj.ac.id |
  • 21. 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 1 st 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 metal semi-metal insulator 10/03/11 © 2010 Universitas Negeri Jakarta | www.unj.ac.id |
  • 22. THANK YOU 10/03/11 © 2010 Universitas Negeri Jakarta | www.unj.ac.id |