DOI: 10.1002/pssb.19700400229. Hartree‐Fock Energy Bands for Krypton

10.1002/pssb.19700400229

Crossref journal-article

Wiley

physica status solidi (b) (311)

Abstract

AbstractWe have computed the Hartree‐Fock energy bands for solid krypton. The method used has been the orthogonalized plane wave (OPW) method. Calculations have been performed at the points Γ, X, L of the first Brillouin zone. Among the most interesting results are: 1. the computed energy gap is of ≈ 15 eV, a value larger than the measured optical gap; 2. the p‐valence bands are relatively wide (≈ 2.8 eV). All these characteristics are in complete agreement with a previous Hartree‐Fock band calculation for argon. We have included many‐body effects using Fowler's theory of electronic polarization.

Bibliography

Lipari, N. O. (1970). HartreeâFock Energy Bands for Krypton. Physica Status Solidi (b), 40(2), 691â699. Portico.

Authors 1

N. O. Lipari (first)

References 23 Referenced 38

N. O.LipariandW. B.Fowler to be published.
A. B.Kunz J. Phys. C to be published.
10.1016/0375-9601(69)90101-7
10.1103/PhysRev.151.657
10.1103/PhysRev.175.1147
A. B.Kunz private communication.
10.1103/PhysRev.149.597
10.1016/S0081-1947(08)60156-3
10.1103/PhysRev.180.934
{'key': 'e_1_2_1_11_2', 'volume-title': 'Modern Theory of Solids', 'author': 'Seitz H.', 'year': '1940'} / Modern Theory of Solids by Seitz H. (1940)
W. F.Brinkman Ph. D. Thesis University of Missouri 1965(unpublished see also [7]).
10.1103/PhysRev.132.1591
10.1016/0022-3697(70)90106-X
{'key': 'e_1_2_1_15_2', 'volume-title': 'Atomic Structure Calculations', 'author': 'Herman F.', 'year': '1963'} / Atomic Structure Calculations by Herman F. (1963)
10.1103/PhysRev.124.1117
10.1103/PhysRev.50.58
10.1103/PhysRev.133.A1399
10.1016/0022-3697(67)90183-7
10.1103/PhysRev.139.A796
10.1016/S0081-1947(08)60615-3
10.1103/PhysRev.128.1562
R.Haensel G.Keitel C.Kunz P.Schreiber andB.Sonntag Optical Transitions from Inner Shells in Solid Rare Gases to be published.
R.Haensel G.Keitel E. E.Koch M.Skibowski andP.Schreiber Reflection Spectrum of the Solid Argon in the Vacuum Ultraviolet to be published.

Dates

Type	When
Created	18 years, 1 month ago (July 9, 2007, 7:55 p.m.)
Deposited	1 year, 10 months ago (Oct. 19, 2023, 8:57 a.m.)
Indexed	1 year ago (Aug. 2, 2024, 5:47 a.m.)
Issued	55 years, 7 months ago (Jan. 1, 1970)
Published	55 years, 7 months ago (Jan. 1, 1970)
Published Online	19 years, 4 months ago (March 30, 2006)
Published Print	55 years, 7 months ago (Jan. 1, 1970)

Funders 0

None

BibTeX

@article{Lipari_1970, title={Hartree‐Fock Energy Bands for Krypton}, volume={40}, ISSN={1521-3951}, url={http://dx.doi.org/10.1002/pssb.19700400229}, DOI={10.1002/pssb.19700400229}, number={2}, journal={physica status solidi (b)}, publisher={Wiley}, author={Lipari, N. O.}, year={1970}, month=jan, pages={691–699} }

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