• TABLE OF CONTENTS
HIDE
 Title Page
 Acknowledgement
 Table of Contents
 List of Tables
 List of Figures
 Abstract
 Introduction
 Methods of calculation
 Results of the calculation for...
 Conclusions
 Appendices
 References
 Biographical sketch






Title: Total energy as a function of lattice parameter for copper using the self-consistent APW method
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STANDARD VIEW MARC VIEW
Permanent Link: http://ufdc.ufl.edu/UF00097588/00001
 Material Information
Title: Total energy as a function of lattice parameter for copper using the self-consistent APW method
Physical Description: ix, 130 leaves. : illus. ; 28 cm.
Language: English
Creator: Snow, Edward Clark, 1934- ( Dissertant )
Connolly, J. W. D. ( Thesis advisor )
Slater, J. C. ( Reviewer )
Scott, Thomas A. ( Reviewer )
Conklin, James B. ( Reviewer )
Reid, C. E. ( Reviewer )
Publisher: University of Florida
Place of Publication: Gainesville, Fla.
Publication Date: 1973
Copyright Date: 1973
 Subjects
Subjects / Keywords: Copper   ( lcsh )
Energy-band theory of solids   ( lcsh )
Physics thesis Ph. D
Dissertations, Academic -- Physics -- UF
Genre: bibliography   ( marcgt )
non-fiction   ( marcgt )
theses   ( marcgt )
 Notes
Abstract: The Xq: exchange approximation is used in self- consistent APW calculations on metallic copper. The a used in the Xa method (a= 0. 7225) was chosen to yield zero pressure at the experimentally determined lattice spacing. Self- consistent APW calculations were carried out for six different lattice parameters, using this value of ot. The total energy as a function of lattice parameter resulting from these calculations was used to determine pressure as a function of lattice parameter, cohesive energy, and compressibility. The cohesive energy for the calculation using the experimental lattice parameter and o;= 0. 7225 was found to be 0. 286 Ry, which is within 11% of the experimental value of 0. 257 Ry. The compressibility was calculated from two sets of calculated pressures as a function of lattice parameter and v/as found to agree with the experimental value to within 7% in one case; and to within 4% in the other.
Thesis: Thesis -- University of Florida.
Bibliography: Bibliography: 126-128.
Additional Physical Form: Also available on World Wide Web
General Note: Typescript.
General Note: Vita.
 Record Information
Bibliographic ID: UF00097588
Volume ID: VID00001
Source Institution: University of Florida
Holding Location: University of Florida
Rights Management: All rights reserved by the source institution and holding location.
Resource Identifier: alephbibnum - 000577600
oclc - 13993576
notis - ADA5297

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Table of Contents
    Title Page
        Page i
    Acknowledgement
        Page ii
    Table of Contents
        Page iii
        Page iv
    List of Tables
        Page v
    List of Figures
        Page vi
        Page vii
    Abstract
        Page viii
        Page ix
    Introduction
        Page 1
        Page 2
        Page 3
        Page 4
        Page 5
    Methods of calculation
        Page 6
        Page 7
        Page 8
        Page 9
        Page 10
        Page 11
        Page 12
        Page 13
        Page 14
        Page 15
        Page 16
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        Page 18
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        Page 23
        Page 24
        Page 25
        Page 26
        Page 27
        Page 28
        Page 29
    Results of the calculation for copper
        Page 30
        Page 31
        Page 32
        Page 33
        Page 34
        Page 35
        Page 36
        Page 37
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        Page 70
    Conclusions
        Page 71
        Page 72
        Page 73
    Appendices
        Page 74
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        Page 122
        Page 123
        Page 124
        Page 125
    References
        Page 126
        Page 127
        Page 128
    Biographical sketch
        Page 129
        Page 130
        Page 131
        Page 132
        Page 133
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