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SMALL POLARONS IN REAL CRYSTALS - CONCEPTS AND PROBLEMS

SHLUGER, AL; STONEHAM, AM; (1993) SMALL POLARONS IN REAL CRYSTALS - CONCEPTS AND PROBLEMS. J PHYS-CONDENS MAT , 5 (19) 3049 - 3086. 10.1088/0953-8984/5/19/007. Green open access

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Abstract

Much of small polaron theory is based on highly idealized models, often essentially a continuum description with a single vibrational frequency. These models ignore much of the wealth of experimental data, which find interpretation in many atomistic simulations. We review here a range of properties of small polarons in real, rather than model, systems. The phenomena fall into three main classes: (i) the mechanisms and dynamics of self-trapping of polarons; (ii) static properties-the relative energies of large and small polarons, the optical transitions expected, their effect on positions of other ions and on lattice vibrations, their population in thermal equilibrium, and so on; (iii) small polaron hopping and diffusion. We discuss the key concepts and methods of calculation of polarons, and explore the properties of self-trapped holes and excitons in ionic crystals, and those of an excess electron in liquid water.

Type: Article
Title: SMALL POLARONS IN REAL CRYSTALS - CONCEPTS AND PROBLEMS
Open access status: An open access version is available from UCL Discovery
DOI: 10.1088/0953-8984/5/19/007
Publisher version: http://dx.doi.org/10.1088/0953-8984/5/19/007
Language: English
Additional information: Text made available to UCL Discovery by kind permission of IOP Publishing, 2012
Keywords: SELF-TRAPPED EXCITON, ALKALI-HALIDE CRYSTALS, INTERSTITIAL-VACANCY PAIRS, ELECTRONIC BAND-STRUCTURE, BROKEN ORBITAL-SYMMETRY, 1S HOLE STATES, IONIC-CRYSTALS, THERMAL-CONDUCTIVITY, LATTICE-RELAXATION, EXCESS ELECTRON
UCL classification: UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > London Centre for Nanotechnology
URI: http://discovery.ucl.ac.uk/id/eprint/99051
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