The density of helium in bubbles in implanted materials: Theoretical interpretation of VUV absorption and EELS spectroscopy.

A. A. Lucas, J. P. Vigneron, Ph Lambin, S. E. Donnelly, J. C. Rife

Research output: Contribution to journalConference article

4 Citations (Scopus)

Abstract

The shape of the He resonance absorption line of He bubbles in metals is discussed in terms of He-metal and He-He interactions. For bubble radii larger than 10 Å the metal matrix effects are found to be negligible. For small vacancy clusters there is as yet no quantitative calculation of the role of the metal conduction electrons in determining the position and width of the He resonance excitation.The He-He interactions are treated within static line broadening theory which assumes pairwise additivity of the interactions. These are taken from ab initio quantum mechanical calculations of 2p excimer potential energy curves due to Guberman and Goddard and to Gupta and Matsen. The radial pair distribution function required by our statistical line shape calculation is computed from two theoretical models of the dense fluid: either the exact solution of Percus-Yevick's equation for hard spheres or a Molecular Dynamics computer simulation based on an accurate pair potential. The two approaches give very similar results. The blue shift of the resonance line is found to depend nearly linearly on density but our value for the slope differs substantially from the prediction of a model band structure calculation performed by the Jülich group in the framework of density functional theory.
LanguageEnglish
Pages349-362
Number of pages14
JournalRadiation Effects
Volume78
Issue number1-4
DOIs
Publication statusPublished - 1 Jan 1983
Externally publishedYes
EventInternational Symposium on Fundamental Aspects of Helium in Materials - Julich, Germany
Duration: 21 Sep 198224 Sep 1982

Fingerprint

Helium
Electron energy loss spectroscopy
absorption spectroscopy
bubbles
Metals
helium
Spectroscopy
metals
spectroscopy
interactions
excimers
Potential energy
resonance lines
blue shift
conduction electrons
Band structure
Vacancies
Distribution functions
Density functional theory
line shape

Cite this

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title = "The density of helium in bubbles in implanted materials: Theoretical interpretation of VUV absorption and EELS spectroscopy.",
abstract = "The shape of the He resonance absorption line of He bubbles in metals is discussed in terms of He-metal and He-He interactions. For bubble radii larger than 10 {\AA} the metal matrix effects are found to be negligible. For small vacancy clusters there is as yet no quantitative calculation of the role of the metal conduction electrons in determining the position and width of the He resonance excitation.The He-He interactions are treated within static line broadening theory which assumes pairwise additivity of the interactions. These are taken from ab initio quantum mechanical calculations of 2p excimer potential energy curves due to Guberman and Goddard and to Gupta and Matsen. The radial pair distribution function required by our statistical line shape calculation is computed from two theoretical models of the dense fluid: either the exact solution of Percus-Yevick's equation for hard spheres or a Molecular Dynamics computer simulation based on an accurate pair potential. The two approaches give very similar results. The blue shift of the resonance line is found to depend nearly linearly on density but our value for the slope differs substantially from the prediction of a model band structure calculation performed by the J{\"u}lich group in the framework of density functional theory.",
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The density of helium in bubbles in implanted materials : Theoretical interpretation of VUV absorption and EELS spectroscopy. / Lucas, A. A.; Vigneron, J. P.; Lambin, Ph; Donnelly, S. E.; Rife, J. C.

In: Radiation Effects, Vol. 78, No. 1-4, 01.01.1983, p. 349-362.

Research output: Contribution to journalConference article

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T2 - Radiation Effects and Defects in Solids

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AB - The shape of the He resonance absorption line of He bubbles in metals is discussed in terms of He-metal and He-He interactions. For bubble radii larger than 10 Å the metal matrix effects are found to be negligible. For small vacancy clusters there is as yet no quantitative calculation of the role of the metal conduction electrons in determining the position and width of the He resonance excitation.The He-He interactions are treated within static line broadening theory which assumes pairwise additivity of the interactions. These are taken from ab initio quantum mechanical calculations of 2p excimer potential energy curves due to Guberman and Goddard and to Gupta and Matsen. The radial pair distribution function required by our statistical line shape calculation is computed from two theoretical models of the dense fluid: either the exact solution of Percus-Yevick's equation for hard spheres or a Molecular Dynamics computer simulation based on an accurate pair potential. The two approaches give very similar results. The blue shift of the resonance line is found to depend nearly linearly on density but our value for the slope differs substantially from the prediction of a model band structure calculation performed by the Jülich group in the framework of density functional theory.

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