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1

Monte Carlo Simulation of Partially Ordered Atomic Layers Adsorbed on the Monocristalline Surfaces

100%

Wiatrowski G., Le Bossé J., Lopez J., Rousseau J., Zasada I.

Acta Physica Polonica A

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1993

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vol. 83

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issue 5

587-596

EN

The calculations of the correlations functions and structure factors are performed by means of the Monte Carlo simulation. The results for O/Ni(001) system are presented and compared with those obtained using self-consistent molecular field approximation and cumulant expansion method. The simulation for more complex system CO/Pt(111) is also performed. The calculations of the topological correlations allow us to find the coverage dependence of the incoherent scattering amplitude which can be experimentally detected.

2

Two-Site Correlations in a Surface Layer Adsorbed on the Crystal

100%

Wojtczak L., Zasada I., Le Bossé J., Lopez J., Rousseau J.

Acta Physica Polonica A

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1991

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vol. 80

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issue 5

631-648

EN

The incohorent scattering of electrons by layer adsorbed at a single crystal surface is determined by the Fourier transform of correlation functions of elements forming this layer. The model of the description of atoms or molecules adsorbed on the surface is formulated by the occupation operators which are represented by the pseudospin operators. The calculations of the correlation functions are performed by means of methods which consider a given pair of elements embedded in the effective field of remaining elements of the system while the interaction between the elements of the pair are taken in its exact form. Two approaches are presented here, i.e. the cumulant average and constant coupling approximations, and the case of binary chemisorption is considered in detail. The problem of the correlation symmetry is also discussed.

3

Topological Correlations in a Layer Adsorbed on a Crystal Surface

100%

Wojtczak L., Zasada I., Bosse Le J. C., Lopez J., Rousseau J., Institute of Physics U. o. Ł., Laboratoire de Physique des Interfaces B.

Acta Physicae Superficierum

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1990

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vol. 1

EN

The incoherent scattering of electrons by a layer adsorbed at a single crystal surface is determined by the topological correlations of elements forming the adsorbed layer. The model for the description of atoms or molecules adsorbed on the surface is formulated in terms of occupation operators which are expressed in terms of pseudospin operators with a given spin value. The correlations can be determined by the fluctuation dissipation theorem in connection with the susceptibility or given directly by means of the Green functions properly chosen. An example of the topological or chemical disorder of two components is considered in detail. The calculations of the topological correlations allow us to find the incoherent scattering amplitude as a function of the surface coverage which can be experimentally detected.

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2 Acta Physica Polonica A

1 Acta Physicae Superficierum

1 1993

1 1991

1 1990

3 Lopez J.

3 Rousseau J.

3 Zasada I.

2 Le Bossé J.

2 Wojtczak L.

1 Bosse Le J. C.

1 Institute of Physics U. o. Ł.

1 Laboratoire de Physique des Interfaces B.

1 Wiatrowski G.

Monte Carlo Simulation of Partially Ordered Atomic Layers Adsorbed on the Monocristalline Surfaces

Two-Site Correlations in a Surface Layer Adsorbed on the Crystal

Topological Correlations in a Layer Adsorbed on a Crystal Surface