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Ab-Initio computer modeling of semiconductor surfaces

Authors

  • Dr. Gyaneshwar P. Srivastava,

    Corresponding author
    1. Semiconductor Physics Group Physics Department, University of Exeter Exeter EX4 4QL (UK)
    • Semiconductor Physics Group Physics Department, University of Exeter Exeter EX4 4QL (UK)
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    • Studied physics at the Benares Hindu University, Varanasi, India, gaining his Ph.D. in 1972 and a D.Sc. in 1980. He has over 14 years experience teaching in British universities and currently he is a Reader in Theoretical Semiconductor Physics at the Univeristy of Exeter, UK. His research interests include first-principles theoretical studies, using the pseudo-potential method, of the atomic and electronic structure of crystalline solids, semiconductor surfaces, interfaces, quantum wells, and superlatices, and first-principles studies of phonon spectra in semiconductors. Previous interests included theoretical work on phonon interactions and lattice thermal conductivity in insulators and semiconductors. He has authored over 90 research papers, including a few review articles and a postgraduate book entitled “The Physics of Phonons” (Adam Hilger, Bristol 1990).

  • Dr. Bob Jones

    Corresponding author
    1. Semiconductor Physics Group Physics Department, University of Exeter Exeter EX4 4QL (UK)
    • Semiconductor Physics Group Physics Department, University of Exeter Exeter EX4 4QL (UK)
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    • Born in 1945 and studied mathematics at Manchester University. He carried out is Ph.D. under Dr. T. Lukes of University College Cardiff where he worked on applications of Feynman's path integral methods to problems in disordered systems. He then studied under Prof. J. M. Ziman at Bristol on the theory of electron localization in Anderson's hamiltonian. Since 1971 he has been at Exeter where currently he is a Reader in Theoretical Physics. His present interests include the development of ab-initio density functional methods to treat point and line defects in seiniconductors and insulators. He has published about 100 research papers.


Abstract

The equilibrium atomic structure of semiconductor surfaces, their electronics states and vibrational properties can be calculated using ab-initio theoretical methods. The difference in the surface as opposed to the bulk properties of semiconductors is one of the reasons for their usefulness in, for example, infrared detectors or very large scale integrated (VLSI) circuits. The applications of the theoretical methods are discussed and their agreement with experiment assessed.

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