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Local lattice configuration

Defects may be described in terms of thermodynamic constants and equilibria. The presence of defects changes both the local vibrational frequencies in the vicinity of the defect and the local lattice configuration around the defect. [Pg.103]

Alternative ways of accounting for precocious deviations from ideality in solid-liquid distributions involve consideration of configurational entropy effects in the solid solution process. Two of these are the two ideal sites model (Matsui and Banno, 1962 Grover and Orville, 1969) and the local lattice distortion model (liyama, 1974). [Pg.660]

There are many studies of the transfer of electrons from enzymes to substrates, across biological membranes, to (or from) electrodes from (or to) substrates, between adsorbed molecular dyes and semiconductor particles, within synthetic films and nano-scale arrays, within molecular wires , and so on. Only a few, general comments will be offered on these topics here. The basic physics of molecular electron transfer does not change with the scale of the system, as long as identifiable molecular moieties are present with at least partly localized electronic configurations. The nature of the properties observed, the experimental probes available, and the level of theoretical treatment that is useful may be very different. Different approaches, different limiting models are used for extended arrays (or lattices) of very strongly coupled moieties. [Pg.1194]

An interstitial atom in an antibonding (AB) site is bonded to its nearest neighbour lattice atom. This location is often found in H complexes involving a donor atom and results in the relaxation of the local lattice bonding. There also exists a special interstitial structure, the di-interstitial configuration. Incidentally, Fig. 2.5 shows the ternary symmetry of the sphalerite lattice along a <111 > direction. This is analogous with the wurtzite structure, where... [Pg.32]


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