Article (Scientific journals)
Analytic theory of hexagonal monolayer interacting with hexagonal substrate
Tkatchenko, Alexandre
2006In Physical Review. B, 74 (3)
Peer reviewed
 

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Abstract :
[en] Analytic theory of the infinite rigid hexagonal monolayer interacting with hexagonal substrate is developed. The interaction potential is described by a Fourier series with up to six shells of the reciprocal cell vectors. It is rigorously shown that energy of minimum structures is directly related to their symmetry, assuming a decaying behavior of Fourier coefficients. Preliminary comparison with real systems of halogens and alkalis adsorbed on metal surfaces is encouraging and indicates that the adsorbate-substrate interaction is one of the main driving forces in the monolayer formation. The need of detailed ab initio calculations to obtain the Fourier coefficients for different complex adsorption systems is emphasized. Our results indicate the importance of accurate description of the adsorbate-substrate interactions for quantitative theory of monolayer epitaxy on well-ordered surfaces.
Disciplines :
Chemistry
Author, co-author :
Tkatchenko, Alexandre ;  Universidad Autónoma Metropolitana-Iztapalapa > Departamento de Química, División de Ciencias Básicas e Ingeniería
External co-authors :
yes
Title :
Analytic theory of hexagonal monolayer interacting with hexagonal substrate
Publication date :
2006
Journal title :
Physical Review. B
ISSN :
1098-0121
Publisher :
AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, Unknown/unspecified
Volume :
74
Issue :
3
Peer reviewed :
Peer reviewed
Commentary :
Article
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since 26 February 2016

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