Treatment of structural disorder in crystalline solids and hyperfine fields of light interstitials in ferromagnetic metals:
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Buch |
| Sprache: | English |
| Veröffentlicht: |
Aachen
Shaker
2001
|
| Schriftenreihe: | Berichte aus der Physik
|
| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | Zugl.: München, Univ., Fak. für Chemie und Pharmazie, Diss., 2001 |
| Beschreibung: | 204 S. graph. Darst. : 21 cm |
| ISBN: | 3826595955 |
Internformat
MARC
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| 245 | 1 | 0 | |a Treatment of structural disorder in crystalline solids and hyperfine fields of light interstitials in ferromagnetic metals |c Christian Zecha |
| 264 | 1 | |a Aachen |b Shaker |c 2001 | |
| 300 | |a 204 S. |b graph. Darst. : 21 cm | ||
| 336 | |b txt |2 rdacontent | ||
| 337 | |b n |2 rdamedia | ||
| 338 | |b nc |2 rdacarrier | ||
| 490 | 0 | |a Berichte aus der Physik | |
| 500 | |a Zugl.: München, Univ., Fak. für Chemie und Pharmazie, Diss., 2001 | ||
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Datensatz im Suchindex
| _version_ | 1816444588060049408 |
|---|---|
| adam_text |
CONTENTS
1
INTRODUCTION
3
2
DENSITY
FUNCTIONAL
THEORY
7
2.1
THEOREM
OF
HOHENBERG
AND
KOHN
.
8
2.2
KOHN-SHAM
EQUATIONS
.
9
2.3
SPIN
DENSITY
FUNCTIONAL
THEORY
.
12
2.4
LOCAL
DENSITY
APPROXIMATION
.
15
2.5
GRAND
CANONICAL
ENERGY
FUNCTIONAL
.
17
3
GREEN
'
S
FUNCTION
THEORY
19
3.1
ONE-PARTICLE
GREEN
'
S
OPERATOR
.
20
3.2
LIPPMANN-SCHWINGER
EQUATION
.
23
3.3
THE
SINGLE-SITE
PROBLEM
.
25
3.3.1
SPHERICAL
POTENTIALS
.
27
3.3.2
ANISOTROPIC
POTENTIALS
.
30
3.4
SCALAR
RELATIVISTIC
APPROXIMATION
.
34
3.5
MULTIPLE-SCATTERING
THEORY
.
40
3.6
CALCULATION
OF
PHYSICAL
QUANTITIES
.
47
4
INTERATOMIC
FORCES
53
4.1
HELLMANN-FEYNMAN
FORCE
.
54
4.2
MODIFIED
FORCE
FORMULA
.
58
5
STRUCTURAL
DISORDER
65
5.1
IDEAL
LATTICE
.
67
5.2
STRUCTURAL
AND
SUBSTITUTIONAL
ASPECTS
.
.
72
5.3
THE
U-TRANSFORMATION
METHOD
.
74
5.4
THE
AUGMENTED
BASIS
METHOD
.
77
5.4.1
BASIC
IDEAS
.
77
2
C
ONTENTS
5.4.2
COMPUTATIONAL
PROCEDURE
.
82
5.4.3
TEST
CALCULATIONS
.
86
5.4.4
THE
AUGMENTED
BASIS
METHOD
REVISED
.
89
5.4.5
TEST
OF
THE
REVISED
AUGMENTED
BASIS
METHOD
.
96
5.4.6
TECHNICAL
DETAILS
.
102
6
EXACT
SOLUTION
OF
THE
POISSON
EQUATION
109
6.1
INTERCELL
AND
INTRACELL
CONTRIBUTIONS
.
110
6.2
THE
SA-CONTRIBUTION
.
113
6.3
THE
SO-CONTRIBUTION
.
117
6.4
TEST
OF
THE
SOLUTION
OF
POISSON
'
S
EQUATION
.
121
6.5
BULK
PROPERTIES
OF
FE
AND
CU
.
125
7
CONSTRUCTION
OF
ATOMIC
CELLS
131
7.1
GENERALIZED
WIGNER-SEITZ
CONSTRUCTION
.
132
7.2
INFLUENCE
OF
THE
SIZE
OF
THE
CELL
.
134
8
HYPERFINE
FIELDS
OF
INTERSTITIAL
IMPURITIES
139
8.1
THEORETICAL
DESCRIPTION
.
142
8.2
HYPERFINE
FIELDS
OF
INTERSTITIAL
IMPURITIES
IN
FE
.
146
8.3
HYPERFINE
FIELDS
OF
INTERSTITIAL
IMPURITIES
IN
NI
.
160
8.4
INFLUENCE
OF
LATTICE
RELAXATIONS
.
167
8.5
FORCES
ACTING
ON
THE
NEAREST
NEIGHBOURS
.
169
8.6
INFLUENCE
OF
THE
ANISOTROPY
OF
THE
POTENTIAL
.
176
9
SUMMARY
179
A
PROOF
OF
THE
INVARIANCE
PROPERTY
183
B
NOTE
ON
THE
STRUCTURAL
GREEN
'
S
FUNCTION
187
C
TRANSFORMATION
OF
SACK
'
S
EXPANSION
189
D
VALIDATION
OF
THE
WIGNER-SEITZ
CONSTRUCTION
191
BIBLIOGRAPHY
193 |
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| genre_facet | Hochschulschrift |
| id | DE-604.BV014049579 |
| illustrated | Illustrated |
| indexdate | 2024-11-22T17:29:10Z |
| institution | BVB |
| isbn | 3826595955 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-009621717 |
| oclc_num | 52048212 |
| open_access_boolean | |
| owner | DE-703 DE-12 DE-19 DE-BY-UBM DE-29T |
| owner_facet | DE-703 DE-12 DE-19 DE-BY-UBM DE-29T |
| physical | 204 S. graph. Darst. : 21 cm |
| publishDate | 2001 |
| publishDateSearch | 2001 |
| publishDateSort | 2001 |
| publisher | Shaker |
| record_format | marc |
| series2 | Berichte aus der Physik |
| spelling | Zecha, Christian 1970- Verfasser (DE-588)123527775 aut Treatment of structural disorder in crystalline solids and hyperfine fields of light interstitials in ferromagnetic metals Christian Zecha Aachen Shaker 2001 204 S. graph. Darst. : 21 cm txt rdacontent n rdamedia nc rdacarrier Berichte aus der Physik Zugl.: München, Univ., Fak. für Chemie und Pharmazie, Diss., 2001 Hyperfeinfeld (DE-588)4497165-5 gnd rswk-swf Ferromagnetikum (DE-588)4154129-7 gnd rswk-swf Bandstrukturberechnung (DE-588)4198877-2 gnd rswk-swf Zwischengitteratom (DE-588)4136236-6 gnd rswk-swf (DE-588)4113937-9 Hochschulschrift gnd-content Ferromagnetikum (DE-588)4154129-7 s Zwischengitteratom (DE-588)4136236-6 s Hyperfeinfeld (DE-588)4497165-5 s Bandstrukturberechnung (DE-588)4198877-2 s DE-604 DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=009621717&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Zecha, Christian 1970- Treatment of structural disorder in crystalline solids and hyperfine fields of light interstitials in ferromagnetic metals Hyperfeinfeld (DE-588)4497165-5 gnd Ferromagnetikum (DE-588)4154129-7 gnd Bandstrukturberechnung (DE-588)4198877-2 gnd Zwischengitteratom (DE-588)4136236-6 gnd |
| subject_GND | (DE-588)4497165-5 (DE-588)4154129-7 (DE-588)4198877-2 (DE-588)4136236-6 (DE-588)4113937-9 |
| title | Treatment of structural disorder in crystalline solids and hyperfine fields of light interstitials in ferromagnetic metals |
| title_auth | Treatment of structural disorder in crystalline solids and hyperfine fields of light interstitials in ferromagnetic metals |
| title_exact_search | Treatment of structural disorder in crystalline solids and hyperfine fields of light interstitials in ferromagnetic metals |
| title_full | Treatment of structural disorder in crystalline solids and hyperfine fields of light interstitials in ferromagnetic metals Christian Zecha |
| title_fullStr | Treatment of structural disorder in crystalline solids and hyperfine fields of light interstitials in ferromagnetic metals Christian Zecha |
| title_full_unstemmed | Treatment of structural disorder in crystalline solids and hyperfine fields of light interstitials in ferromagnetic metals Christian Zecha |
| title_short | Treatment of structural disorder in crystalline solids and hyperfine fields of light interstitials in ferromagnetic metals |
| title_sort | treatment of structural disorder in crystalline solids and hyperfine fields of light interstitials in ferromagnetic metals |
| topic | Hyperfeinfeld (DE-588)4497165-5 gnd Ferromagnetikum (DE-588)4154129-7 gnd Bandstrukturberechnung (DE-588)4198877-2 gnd Zwischengitteratom (DE-588)4136236-6 gnd |
| topic_facet | Hyperfeinfeld Ferromagnetikum Bandstrukturberechnung Zwischengitteratom Hochschulschrift |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=009621717&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| work_keys_str_mv | AT zechachristian treatmentofstructuraldisorderincrystallinesolidsandhyperfinefieldsoflightinterstitialsinferromagneticmetals |