alexa Microscopic Background In Metal-insulator Criterion For Doped Mott-Hubbard Materials
ISSN: 2169-0022

Journal of Material Sciences & Engineering
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9th World Congress on Materials Science and Engineering
June 12-14, 2017 Rome, Italy

Vladimir A Gavrichkov
Federal Research Center KSC, Siberian Branch of the RAS, Russia
ScientificTracks Abstracts: J Material Sci Eng
DOI: 10.4172/2169-0022-C1-067
Statement of the Problem: The purpose of this study is to construct a metal–insulator criterion based on Wilson's ideas concerning a system of itinerant electrons in the analytical form for the doped Mott–Hubbard materials and also to associate a microscopic background of criterion with real properties of these materials. Methodology & Theoretical Orientation: For our purposes, it is convenient to start with Lehmann's representation for the Green's function fg, f g Gλλ c c σ λσ λσ = + of the intra-cell Hamiltonian with respect to the family of single-particle operators ( ) f c λσ + and their matrix elements in the basis of ( , ) h S i N M eigenstates of 0 ˆH (S and M are the spin and spin projection of the many-electron cell eigenstate), where index i runs over, μ, τ and ή and states in the different sectors of configuration space in Figure from the work. Findings: By following this approach, one obtains a simple metal– insulator criterion, which is characterized by the condition: the number of first removal electron (frs) states 0 frs N = (-insulator) or 0 frs N > (-metal) irrespective of the doped hole concentration x. Conclusion & Significance: We suggest a non-adiabatic origin of the forbidden frs states and Ham’s effect for their matrix elements as the probable reasons for insulator state of the doped materials with translational symmetry.

Vladimir A Gavrichkov has experience in the study of the electronic structure of strongly correlated materials: iron borates with spin S=5/2, manganites (S=2) and cuprates (S=1/2).

Email: [email protected]

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