封东来4-Lecture2Simplemodels资料.ppt

《Physics of strongly correlated systems》 Lecture 2 Simple models Donglai Feng “Physics of Strongly Correlated Systems” Model Hamiltonians Model Hamiltonians Goal ? Set up a Hamiltonian with a minimal set of parameters and terms but which will describe the qualitative physics. Exchange 2 electrons in 1 atom (He) Direct exchange Helium atom in large U limit Donglai Feng “Physics of Strongly Correlated Systems” Many body effect of atoms and exchange interactions Donglai Feng “Physics of Strongly Correlated Systems” Construct the basis Donglai Feng “Physics of Strongly Correlated Systems” Diagonalize the Hamiltonian Donglai Feng “Physics of Strongly Correlated Systems” Eigen wavefunctions Donglai Feng “Physics of Strongly Correlated Systems” Effective Hamiltonian Donglai Feng “Physics of Strongly Correlated Systems” Summary for direct exchange Exchange interaction is derived from Coulomb interactions. and quantum mechanical indistinguishablility. Eigenstates are linear combination of many determinants for more than 3 electrons, its impossible to construct a totally antisymmetric state. i.e. cannot be simple spin and orbital dependence For orthogonal states, the lowest energy states is a triplet. On-site coulomb U enforces orbital orthogonality ? favor triplet or Ferro-spin arrangement (Hunds rule#1) Donglai Feng “Physics of Strongly Correlated Systems” Orthogonal orbitals favor FM 2 electrons, 2 atoms (H2) Kinetic exchange for non-orthogonal orbitals Wigners theorem: when electron occupies non-orthogonal orbitals, such as H2 molecule, and He atom (identical orbital or overleaping orbital) ground state is singlet. Donglai Feng “Physics of Strongly Correlated Systems” Setup In nature. many AF materials rise from Non-ortho orbitals, as they are from different atoms. consider H2 molecule, 2 orbitals Donglai Feng “Physics of Strongly Correlated Systems” A) Heiter-London Scheme Two atoms are far a