DOI: 10.1063/1.435616. Static semiclassical response of a bounded electron gas. II. The finite barrier model

Static semiclassical response of a bounded electron gas. II. The finite barrier model

10.1063/1.435616

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The semiclassical linear response formalism of a previous publication is applied to the step potential model of a metal surface. Results presented here demonstrate that this model is a significant improvement over the infinite barrier model, though the unperturbed system is too far from self-consistency to yield quantitative accuracy. The conclusion that linear response theory is adequate for many situations is reinforced. Calculations for a model of alkali absorption agree with those of Lang to within 10% for the zero-coverage dipole moment. The surface average potential of Na (001) modeled as a pseudopotential lattice is in semiquantitative agreement with exact results. Exchange and correlation are considered in the ’’local density approximation’’ (LDA).

Bibliography

Lert, P. W., & Weare, J. H. (1978). Static semiclassical response of a bounded electron gas. II. The finite barrier model. The Journal of Chemical Physics, 68(11), 5010â5019.

Authors 2

Peter W. Lert (first)
John H. Weare (additional)

References 45 Referenced 11

{'key': '2024020916455951300_r1'}
10.1103/PhysRev.49.653 / Phys. Rev. (1936)
10.1103/PhysRev.81.1035 / Phys. Rev. (1951)
10.1080/14786441108520387 / Philos. Mag. (1953)
10.1103/PhysRevB.12.3503 / Phys. Rev. B (1975)
10.1103/PhysRevB.12.5585 / Phys. Rev. B (1975)
10.1103/PhysRevB.15.1929 / Phys. Rev. B (1977)
10.1103/PhysRevLett.28.1124 / Phys. Rev. Lett. (1972)
10.1103/PhysRevLett.30.975 / Phys. Rev. Lett. (1973)
{'key': '2024020916455951300_r5b', 'first-page': 'L', 'volume': '6', 'year': '1973', 'journal-title': 'J. Phys. C'} / J. Phys. C (1973)
10.1016/0038-1098(74)90858-8 / Solid State Commun. (1974)
10.1103/PhysRevB.7.3541 / Phys. Rev. B (1973)
10.1103/PhysRevB.4.4234 / Phys. Rev. B (1971)
10.1103/PhysRevB.6.2166 / Phys. Rev. B (1972)
10.1103/PhysRev.137.A1697 / Phys. Rev. Sect. A (1965)
{'key': '2024020916455951300_r10'}
10.1103/PhysRev.51.669 / Phys. Rev. (1937)
10.1103/PhysRev.46.1002 / Phys. Rev. (1934)
10.1039/tf9383400678 / Trans. Faraday Soc. (1938)
10.1103/PhysRev.81.385 / Phys. Rev. (1951)
{'key': '2024020916455951300_r13'}
10.1103/PhysRev.140.A1133 / Phys. Rev. Sect. A (1965)
10.1103/PhysRevB.3.1888 / Phys. Rev. B (1971)
10.1103/PhysRevB.8.576 / Phys. Rev. B (1973)
{'key': '2024020916455951300_r17'}
{'key': '2024020916455951300_r18'}
10.1103/PhysRevB.1.3304 / Phys. Rev. B (1970)
{'key': '2024020916455951300_r20'}
10.1103/PhysRevB.1.4555 / Phys. Rev. B (1970)
{'key': '2024020916455951300_r22'}
{'key': '2024020916455951300_r23'}
10.1016/0039-6028(74)90067-3 / Surf. Sci. (1974)
10.1016/0039-6028(70)90050-6 / Surf. Sci. (1970)
10.1016/0039-6028(71)90238-X / Surf. Sci. (1971)
10.1016/0039-6028(74)90008-9 / Surf. Sci. (1974)
10.1016/0039-6028(75)90390-8 / Surf. Sci. (1975)
10.1063/1.1727804 / J. Chem. Phys. (1966)
10.1063/1.1671392 / J. Chem. Phys. (1969)
{'key': '2024020916455951300_r30a'}
{'key': '2024020916455951300_r31'}
10.1063/1.1669464 / J. Chem. Phys. (1968)
{'key': '2024020916455951300_r33'}
{'key': '2024020916455951300_r34'}
10.1103/PhysRevB.3.1215 / Phys. Rev. B (1971)
{'key': '2024020916455951300_r36'}

Dates

Type	When
Created	22 years, 6 months ago (Feb. 27, 2003, 5:38 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 1:41 p.m.)
Indexed	1 year, 6 months ago (Feb. 9, 2024, 2:10 p.m.)
Issued	47 years, 2 months ago (June 1, 1978)
Published	47 years, 2 months ago (June 1, 1978)
Published Print	47 years, 2 months ago (June 1, 1978)

Funders 0

None

BibTeX

@article{Lert_1978, title={Static semiclassical response of a bounded electron gas. II. The finite barrier model}, volume={68}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.435616}, DOI={10.1063/1.435616}, number={11}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Lert, Peter W. and Weare, John H.}, year={1978}, month=jun, pages={5010–5019} }

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