Chemisorption Isotherms for Ising Anderson Hamiltonian

Taranko, E.; Cárdenas, Roberto; Taranko, R.; Fedyanin, V. K.

doi:10.12693/aphyspola.86.917

Acta Phys. Pol. A

1994

DOI: 10.12693/aphyspola.86.917

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Chemisorption Isotherms for Ising Anderson Hamiltonian

E. Taranko

Roberto Cárdenas

R. Taranko

et al.

Abstract: The adsorption isotherms for Ising-Anderson type model Hamiltonian describing the chemisorbed system was calculated. The submonolayer coverage of the substrate surface was considered on the equal footing together with the electronic characteristics of the chemisorbed adatoms in a self-consisting manner. The resulting adsorption isotherms depend in explicit way on the electronic parameters describing the chemisorbed adatoms and substrate metal.

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Cited by 2 publications

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“…These includes as workable patterns single-impurity Anderson model (SIAM) and Hubbard model. Recently, a lot of effort has been made to gain a better insight into the dynamical properties of the Anderson/Hubbard model [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16], especially in the context of many impurities case (e.g. [6]).…”

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Spectral Properties and New Interpolating Solution of Anderson Model

Kuzemsky

1997

Acta Phys. Pol. A

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A new approach to many-body quasiparticle dynamics of the Anderson impurity model at flnite temperatures is proposed in the framework of the equation-of-motion method. We flnd a new exact identity, which relates the one-particle and many-particle Green functions. Using this identity, it is shown that a new interpolating approximation for the one-particle Green function can be constructed. The approximation which simultaneously reproduces tle weak-coupling limit and the strong coupling limit can be formulated self-consistently. This approach offers a new method for a systematic construction of the approximate interpolating dynamical solutions of strongly correlated electron models.PACS numbers: 67.40. Db, 71.28.+d, 75.20.Hr The problem of an adequate description of strongly correlated electron systems has been studied intensively for the last decade, especially in the context of heavy fermions and high-Τ superconductivity [1]. Theoretical description of strongly correlated electron systems involves simplifled model Hamiltonian. These includes as workable patterns single-impurity Anderson model (SIAM) and Hubbard model. Recently, a lot of effort has been made to gain a better insight into the dynamical properties of the Anderson/Hubbard model [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16], especially in the context of many impurities case (e.g. [6]). This field is quite important for description of magnetic properties of anomalous rare-earth compounds [8]. The problem of an adequate and consistent description of dynamics of single-impurity and twoimpurity Anderson models (SIAM and TIAM) and other models of correlated 1attice electrons has not been fully analytically solved yet. The present paper is primarily devoted to the analysis of the relevant many-body dynamical solution of the SIAM and its correct functional structure. We wish to determine which solution actually arises from both the self-consistent many-body approach and intrinsic nature of the model itself. The Hamiltonian of SIAM has the standard form. We will consider single-particle GF of localized electrons. To improve (355) '

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confidence: 99%

Spectral Properties and New Interpolating Solution of Anderson Model

Kuzemsky

1997

Acta Phys. Pol. A

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“…Note that even in such simplified case, the Hamiltonian (1) leads to an infinite chain of equations for GFs consisting of more and more adion number operators. Assuming an uncorrelatetl adatom distribution on the substrate surface one obtains the chemisorption isotherms in the form [6] and the summation is carried out over the nearest neighbors of y sites. The coupling to the gas phase can be achieved by its chemical potential equal to p J .…”

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Chemisorption isotherms in a generalized lattice gas model

Taranko

1996

Physica Status Solidi (b)

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In recent years much attention has been devoted to the theoretical description of chernisorbed monolayers on metal surfaces. Usually, the electronic properties of the chemisorbed layer were described in terms of the Newns-Anderson model Hamiltonian (e.g., [l]). The adsorption thermodynamics, for example the isotherms or a variety of overlayer structures, were analyzed using the lattice gas model (LGM) (e.g. [a]). Therefore, the resulting adsorption isotherms depend on the effective adatom-surface interactions which are inherent parts of LGM. The characteristics of the electron subsystem do not enter explicitly into corresponding expressions for the isotherms.Here we report on chemisorption isotherm calculations in which the electron subsystem is taken into consideration in an explicit form. We shall investigate the dependence of the chemisorption isotherms on pe -E,, V a k , and U , where pe is the chemical potential of the electron subsystem, E, the effective adatom ionization energy, Vak the matrix elements responsible for mixing of the substrate and adatom electron states, and U denotes the effective on-adatom electron-electron Coulomb repulsion. In addition, our model depends on the parameters which usually enter into LGM. However, now they describe effective adion-substrate, E , and adion-adion, .sap, rather than adatom-substrate and adatom-adatom interactions, as in the standard LGM. The estimation of these effective interactions may be a difficult problem, but fortunately, the general trends we observe in the behaviour of the calculated chemisorption isotherms do not strongly depend on the numerical values of these parameters.The complex system adsorbent plus adsorbat can be viewed as a sum of the electron subsystem (both the substrate band and the adatom valence electrons) and the ionic subsystem. Then, performing the generalized second quantization procedure [3] one can obtain the general Hamiltonian from which for our purposes we take the terms playing the most important role in the chemisorption process, I ) pl. M. Curie-Skiodowskiej 1, PL-20-031 Lublin, Poland.

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Chemisorption Isotherms for Ising Anderson Hamiltonian

Cited by 2 publications

References 9 publications

Spectral Properties and New Interpolating Solution of Anderson Model

Spectral Properties and New Interpolating Solution of Anderson Model

Chemisorption isotherms in a generalized lattice gas model

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