Method of Generalized Bethe Lattices in Chemisorption Theory

Karpushin, A. A.; Sorokin, A. V.; Semenova, I. Yu.; Tomášek, M.

doi:10.1002/pssb.2221360137

Cited by 3 publications

(1 citation statement)

References 12 publications

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“…The amorphous nature of the films was modeled with the Bethe cluster structure. [16][17][18] In this work, we started with the one-electron tight-binding-like Hamiltonian ͚ X␣,Y␤ H X␣,Y␤ ĉ X␣ + ĉ Y␤ + H.c. The conventional approach to construct this matrix is as follows.…”

Section: Introductionmentioning

confidence: 99%

Electronic structure of amorphous silicon oxynitride with different compositions

Sorokin

Karpushin

Gritsenko

et al. 2009

Journal of Applied Physics

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A revised tight-binding Hamiltonian parametrization scheme for calculating the electronic structure of both covalent and ion-covalent solids is proposed. Unlike the conventional approaches, the present nonempirical calculation does not rely on any empirical parameter. We use the atomic properties of isolated atoms to construct the matrix elements. Results show that the predicted charge transfer in SiO 2 and Si 3 N 4 , the bandgap energies of SiO 2 , Si 3 N 4 , and SiO x N y films, as well as the electron and hole barriers at the Si/ SiO 2 , Si/ Si 3 N 4 , and Si/ SiO x N y interfaces are in good agreement with the experimental findings reported in literatures.

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Section: Introductionmentioning

confidence: 99%

Electronic structure of amorphous silicon oxynitride with different compositions

Sorokin

Karpushin

Gritsenko

et al. 2009

Journal of Applied Physics

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A Contribution to the Theoretical Interpretation of the UPS Spectra of Monoatomic Adsorption of Oxygen on the Si (111) Surface

Karpushin¹,

Sorokin²,

Semenova³

et al. 1987

Physica Status Solidi (b)

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A calculation is performed of the early stage of adsorption of atomary oxygen on the Si (111) surface in the on-atom (top) position, saturating the dangling bond of the surface silicon atom. By considering the possible presence of a vacancy in the adsorbed oxygen monolayer, it is shown that the basic features of the experimental energy spectrum can be obtained without resorting to the idea of the existence of Si-0-Si bridge structures on the surface. Nevertheless, the results obtained do not contradict such an idea, nor t,he idea that the early stage of adsorption corresponds t o a molecular form with a peroxide bridge formation. They merely suggest the possibility of an alternative early stage adsorption model. The method of calculation is the recently introduced generalized cluster Bethe-lattice method.Es wirdeine Berechnung durchgefuhrt des friihen Zustands der Adsorption von atomarem Sauerstoff in der am-Atom (top)-Anordnung auf der Si (111)-Fliiche, die die freien Bindungen der Siliziumoberflachenatome absattigt. Unter Beriicksichtigung einer moglichen Anwesenheit einer Leerstelle in der adsorbierten Sauerstoff-Monoschicht wird gezeigt, daIj die Grundziige des experimentellen Energiespektrums ohne Zuhilfenahme der Idee einer Existenz von Si-O-Si-Briickenstrukturen auf der Oberflache erhalten werden konnen. Trotzdem widersprechen die erhaltenen Ergebnisse nicht einer solchen Idee, noch der Idee, dalj der friihe Zustand der Adsorption einer molekularen Form mit einer Peroxid-Briickenbildung entspricht. Sie weisen nur auf die Maglichkeit eines alternativen Modells des friihen Adsorptionszustands hin. Die Berechnungsmethode ist die kiirzlich eingefuhrte verallgemrinerte Cluster-Bethe-Gittermethode. l) 630090 Novosibirsk 90, USSR. 2, MBchova 7, 12138 Prague 2, Czechoslovakia.

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Electronic Structure of Amorphous SiOx with Variable Composition

Karpushin

Gritsenko

2018

Jetp Lett.

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Method of Generalized Bethe Lattices in Chemisorption Theory

Cited by 3 publications

References 12 publications

Electronic structure of amorphous silicon oxynitride with different compositions

Electronic structure of amorphous silicon oxynitride with different compositions

A Contribution to the Theoretical Interpretation of the UPS Spectra of Monoatomic Adsorption of Oxygen on the Si (111) Surface

Electronic Structure of Amorphous SiOx with Variable Composition

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