Localized basis for effective lattice Hamiltonians: Lattice Wannier functions
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چکیده
منابع مشابه
Localized basis for effective lattice Hamiltonians: Lattice Wannier functions.
A systematic method is presented for constructing effective Hamiltonians for general phonon-related structural transitions. The key feature is the application of group theoretical methods to identify the subspace in which the effective Hamiltonian acts and construct for it localized basis vectors, which are the analogue of electronic Wannier functions. The results of the symmetry analysis for t...
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5 Examples of applications 16 5.1 Wide versus narrow energy window: SrVO3 . . . . . . . . . . . . . . . . . . . 17 5.2 Unfolding band structures: LaOFeAs . . . . . . . . . . . . . . . . . . . . . . . 18 5.3 Entangled bands . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 5.4 Spin-orbit coupling: Sr2IrO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . 21 5.5 Wannier f...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 1995
ISSN: 0163-1829,1095-3795
DOI: 10.1103/physrevb.52.13236