Electronic Structure and Transport

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).

Ishii, T., Y. Komatsu, K. Suzuki, T. Enoki, A. Ugawa, K. Yakushi, and S. Bandow. 1994. Electronic structure and transport properties of AuCl3-GIC. Mol. Cryst. Liq. Crsyt. 245 1-6. 

This chapter begins a series of chapters devoted to electronic structure and transport properties. In the present chapter, the foundation for understanding band structures of crystalline solids is laid. The presumption is, of course, that said electronic structures are more appropriately described from the standpoint of an MO (or Bloch)-type approach, rather than the Heitler-London valence-bond approach. This chapter will start with the many-body Schrodinger equation and the independent-electron (Hartree-Fock) approximation. This is followed with Bloch s theorem for wave functions in a periodic potential and an introduction to reciprocal space. Two general approaches are then described for solving the extended electronic structure problem, the free-electron model and the LCAO method, both of which rely on the independent-electron approximation. Finally, the consequences of the independent-electron approximation are examined. Chapter 5 studies the tight-binding method in detail. Chapter 6 focuses on electron and atomic dynamics (i.e. transport properties), and the metal-nonmetal transition is discussed in Chapter 7. 

Nature of the electronic structure and transport in ID systems with... 

HiU, LG. et al.. Organic semicondnctor interfaces Electronic structure and transport properties, Appl. Surf. Set, 166, 354, 2000. 

Hill, I.G., D. Mdliron, J. Schwartz, and A. Kahn. 2000. Organic semiconductor interfaces Electronic structure and transport properties. Appl Surf Sci 166 354—362. 

Some of the physical properties of the MAX phases, such as thermal expansion, elastic properties and thermal conductivity, have much in common with their respective MX binaries. However, their electronic structure and transport properties are more akin to those of the transition metals themselves. 

G.K.H. Madsen, K. Schwarz, P. Blaha, D.J. Singh, Electronic structure and transport in type-I and type-VIII clathrates containing strontium, barium, and europium. Phys. Rev. B 68, 125212 (2003)... 

The electronic structure and transport properties of conducting polymers are described in details in many papers [5-8] and a handbook [9]. In this chapter, we will briefly discuss the transport properties of conducting polymers to the extent necessary to discuss liquid crystallinity in conductive polymers. 

Nikiforov, I. Ya. Kolpachev, A. B. (1988). Phys. Status Solidi (b) 148, 205. Nikitin, V. P. (1982). The influence of structural defects, metallic and metalloid substitutions on the electronic structure and transport properties of refractory carbides. Doctor of Philosophy Thesis, Institute of Metal Physics, Kiev. 

P. Pfluger, G. Weiser, J. Campbell Scott, and B. Street, Electronic structure and transport in the organic amorphous semiconductor polypyrrole, in Handbook of Conducting Polymers, Vol, 2 (T. A. Skotheim, ed.), Marcel Dekker, New York, 1986, Chap. 38. 

Polyacetylene remains one of the most interesting conducting polymers. While this is in part due to the very high conductivities that can be achieved by lightly oxidizing stretched polyacetylene films with molecular iodine, this interest also reflects the expectation that, because of the simplicity of the polyene backbone, the link between electronic structure and transport can be most easily worked out for this system. It is in this sense that polyacetylene is a paradigm system for conducting polymers. 

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