Electron localization, high temperature structure

Figure 20. Electronic structure and transport in mixed conducting perovskites. (a) Band picture of electronic structure in the high-temperature metallic phase of Lai- r tCo03-(5. (Reprinted with permission from ref 109. Copyright 1995 Elsevier.) (b) Localized picture of electron/ hole transport in semimetallic Lai- 3r Fe03-(5, involving hopping of electrons and/or electron holes (depending on the oxidation state of iron).

Electron paramagnetic resonance (EPR) studies on pyridine solutions of bianthrone by Wasserman (41) suggest that the thermochromic form may have one unpaired electron localized on each half of the molecule. The structure proposed by Woodward and Wasserman (42) is VIII which they consider to be identical to the colored photochromic form. Klochkov (43) has warned that free radicals may be involved in decomposition processes occuring at high temperatures in studies of the bian-... 

To describe the electronic structure of carbon nanotubes the Hubbard model has been chosen as it can describe the electrical and magnetic properties and high temperature superconductivity effects also [11]. The model includes the terms of the electron jump energy in vicinity approach and the energy of Coulomb s repulsion of two electrons localized on the same point of unit cell. Hubbard Hamiltonian for the described system is following [11] ... 

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