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First-Principles Studies of Semiconductor Surfaces: Reconstruction and Dissociative Chemisorption

Štich, I. / Payne, M. C. / Vita, A. De / Gillan, M. J. / Clarke, L. J.

Abstract Two large-scale applications of ab initio plane-wave pseudopotential techniques to semiconductor surface physics are discussed: (1) Takayanagi reconstruction of the Si(111) surface, and (2) Dynamical simulations of molecular collisions of Cl2 with the reconstructed Si(111)−2×1 π-bonded chain surface.

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First-Principles Studies of Semiconductor Surfaces: Reconstruction and Dissociative Chemisorption

Štich, I. / Payne, M. C. / Vita, A. De / Gillan, M. J. / Clarke, L. J.

Abstract Two large-scale applications of ab initio plane-wave pseudopotential techniques to semiconductor surface physics are discussed: (1) Takayanagi reconstruction of the Si(111) surface, and (2) Dynamical simulations of molecular collisions of Cl2 with the reconstructed Si(111)−2×1 π-bonded chain surface.

First-Principles Studies of Semiconductor Surfaces: Reconstruction and Dissociative Chemisorption

Štich, I. / Payne, M. C. / Vita, A. De / Gillan, M. J. / Clarke, L. J.

Abstract Two large-scale applications of ab initio plane-wave pseudopotential techniques to semiconductor surface physics are discussed: (1) Takayanagi reconstruction of the Si(111) surface, and (2) Dynamical simulations of molecular collisions of Cl2 with the reconstructed Si(111)−2×1 π-bonded chain surface.

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Titel:

First-Principles Studies of Semiconductor Surfaces: Reconstruction and Dissociative Chemisorption

Beteiligte:

Štich, I. (Autor:in) / Payne, M. C. (Autor:in) / Vita, A. De (Autor:in) / Gillan, M. J. (Autor:in) / Clarke, L. J. (Autor:in)

Erschienen in:

Computations for the Nano-Scale ; 63-74

NATO ASI Series ; 240

Erscheinungsdatum:

01.01.1993

Format / Umfang:

12 pages

ISBN:

978-94-011-1956-6 , 978-94-010-4864-4

ISSN:

DOI:

https://doi.org/10.1007/978-94-011-1956-6_6

Medientyp:

Aufsatz/Kapitel (Buch)

Format:

Elektronische Ressource

Sprache:

Englisch

Schlagwörter:

Semiconductor Surface , Molecular Collision , Dissociative Chemisorption , Surface Unit Cell , Chain Surface Physics , Condensed Matter Physics , Surfaces and Interfaces, Thin Films , Theoretical, Mathematical and Computational Physics , Physical Chemistry

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