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Budd-Vannimenus Theorem and Work Function Expression for a Metal-Metallic Adlayer System

100%
Peisert J., Wojciechowski K.
Acta Physica Polonica A
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1994
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vol. 85
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issue 6
979-983
EN
The generalization of the Budd-Vannimenus theorem for jellium model of metal surface, when the positive background is described by a non-negative function, is given. Using the displacement electron density profile method and the generalized Budd-Vannimenus theorem it is shown that work function expressions given on the basis of Koopmans theorem and by Monnier et al. are equivalent both for a clean metal and for a metal covered by a metallic adlayer.
2
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Work Function of Simple Metals: Relation between Theory and Experiment

100%
Wojciechowski K., Bogdanów H.
|
EN
A variational calculation of the face-dependent work function with pseudopotential corrections employed has been performed. Critical analysis of the comparison between the calculated work function values and the experimental polycrystalline data is also given. The polycrystalline work function data may be treated as the mean low-index work function values and compared with the ones calculated. The use of the simple variational method and the Ashcroft pseudopotential for the description of metallic ions leads to good agreement between theory and experiment, and also enables to explain the increasing or decreasing tendency of work function values in different series of the simple metals.
3
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Analytical Representation of the Lang-Kohn Density Profiles by the Numerical Fitting

81%
Rogowska J., Wojciechowski K., Maciejewski M.
Acta Physica Polonica A
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1994
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vol. 85
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issue 3
593-601
EN
The numerical fitting of an analytical function representing electron density profile at a jellium surface to the one tabulated by Lang and Kohn is presented. The two sets of parameters entering the electron density profile is proposed. The first one is obtained by purely numerical fitting, and the second one is calculated under condition that electron density profile must satisfy the Budd-Vannimenus theorem. The obtained parameters are given as analytical functions of the Wigner-Seitz radius r_{s} describing mean electron density n̅ in a metal (n̅^{-1} = 4/3πr³_{s} ). The comparison of presented electron density profile with variational trial function given by Perdew is also discussed.
4
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Susceptibility of the Rare Earth Ternary RNiSi_{2} and RNiGe_{2} Compounds

71%
Gil A., Szytuła A., Tomkowicz Z., Wojciechowski K., Zygmunt A.
Acta Physica Polonica A
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1994
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vol. 85
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issue 2
271-274
EN
The ternary silicides and germanides RNiX_{2} (R - rare earth, X = Si or Ge) with the orthorhombic CeNiSi_{2}-type structure are investigated by magnetometric measurements. CeNiSi_{2}, CeNiGe_{2} and SmNiGe_{2} have a nonmagnetic state in low temperatures. The compounds with R = Pr and Nd are ferromagnets while those containing R = Gd-Er are antiferromagnets. The de Gennes scaling of the Néel temperatures indicates a strong influence of the crystalline-electric field effects.
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