Development of a relativistic full-potential first-principles multiple scattering Green function method applied to complex magnetic textures of nano structures at surfaces:
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Abschlussarbeit Buch |
| Sprache: | English |
| Veröffentlicht: |
Jülich
Forschungszentrum Jülich, Zentralbibliothek
2014
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| Schriftenreihe: | Schriften des Forschungszentrums Jülich
Reihe Schlüsseltechnologien ; 79 |
| Schlagworte: | |
| Online-Zugang: | Inhaltstext Inhaltsverzeichnis |
| Beschreibung: | 193 S. Ill., graph. Darst. |
| ISBN: | 9783893369348 |
Internformat
MARC
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| 245 | 1 | 0 | |a Development of a relativistic full-potential first-principles multiple scattering Green function method applied to complex magnetic textures of nano structures at surfaces |c David Siegfried Georg Bauer |
| 246 | 1 | 0 | |a full-potential-first-principles-multiple-scattering-Green-function-method |
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| 300 | |a 193 S. |b Ill., graph. Darst. | ||
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Datensatz im Suchindex
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| adam_text |
CONTENTS
1. INTRODUCTION 9
2. DENSITY FUNCTIONAL THEORY 15
3. GREEN FUNCTIONS 21
3.1. GREEN FUNCTION IN PHYSICS 21
3.2. REPRESENTATION OF THE KKR GREEN FUNCTION 26
3.3. EXPANSION OF THE SINGLE-SITE GREEN FUNCTION 28
3.4. MULTIPLE SCATTERING THEORY 33
3.5. ANGULAR MOMENTUM CUT-OFF 37
4. SINGLE SITE PROBLEM IN KKR 41
4.1. SCHRODINGER EQUATION 41
4.2. DIRAC EQUATION 53
4.3. SCALAR-RELATIVISTIC APPROXIMATION 54
4.4. SPIN-ORBIT COUPLING 70
5. NUMERICAL METHODS 75
5.1. STATE OF THE ART SOLVER 75
5.2. DIRECT INVERSION 77
5.2.1. SUBINTERVAL TECHNIQUE 78
5.2.2. CHEBYSHEV POLYNOMIALS 82
5.2.3. DISCRETIZATION OF THE LIPPMANN-SCHWINGER EQUATION 90
6. IMPROVEMENTS TO KKR 95
6.1. IMPURITY CALCULATIONS 95
6.1.1. HOST GREEN FUNCTION 95
6.1.2. IMPURITY GREEN FUNCTION 96
6.2. STRUCTURAL RELAXATIONS 99
6.2.1. U-TRANSFORMATION 100
6.2.2. CONCEPT OF VIRTUAL ATOMS 101
6.3. NON-COLLINEAR MAGNETISM 108
6.3.1. DENSITY 112
6.3.2. MAGNETIC MODEL HAMILTONIAN 116
6.3.3. MODEL PARAMETERS BY INFINITESIMAL ROTATIONS 119
5
HTTP://D-NB.INFO/1048697150
CONTENTS
CONTENTS
7. ATOMISTIC SPIN-DYNAMICS 125
8. APPLICATIONS 131
8.1. MONOLAYER FE ON IR(LLL) 131
8.2. NANO-ISLANDS OF 7 FE ATOMS ON IR(LLL) 142
8.2.1. UNRELAXED ATOMIC POSITIONS 143
8.2.2. RELAXED ATOMIC POSITIONS 149
8.3. 19 FE NANO-ISLAND ON IR(LLL) 152
8.3.1. UNRELAXED ATOMIC POSITIONS 153
8.3.2. RELAXED ATOMIC POSITIONS 158
9. SUMMARY AND OUTLOOK 167
A. DETAILS ON MODEL PARAMETERS BY INFINITESIMAL ROTATIONS 173
B. NUMERICAL TREATMENT 175 |
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| dewey-search | 530.417 |
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| dewey-tens | 530 - Physics |
| discipline | Physik |
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| isbn | 9783893369348 |
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| spelling | Bauer, David Siegfried Georg Verfasser (DE-588)1047306328 aut Development of a relativistic full-potential first-principles multiple scattering Green function method applied to complex magnetic textures of nano structures at surfaces David Siegfried Georg Bauer full-potential-first-principles-multiple-scattering-Green-function-method Jülich Forschungszentrum Jülich, Zentralbibliothek 2014 193 S. Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier Schriften des Forschungszentrums Jülich : Reihe Schlüsseltechnologien 79 Zugl.: Aachen, Univ., Diss., 2013 (DE-588)4113937-9 Hochschulschrift gnd-content Schriften des Forschungszentrums Jülich Reihe Schlüsseltechnologien ; 79 (DE-604)BV023237997 79 text/html http://deposit.dnb.de/cgi-bin/dokserv?id=4617166&prov=M&dok_var=1&dok_ext=htm Inhaltstext DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027310202&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Bauer, David Siegfried Georg Development of a relativistic full-potential first-principles multiple scattering Green function method applied to complex magnetic textures of nano structures at surfaces Schriften des Forschungszentrums Jülich |
| subject_GND | (DE-588)4113937-9 |
| title | Development of a relativistic full-potential first-principles multiple scattering Green function method applied to complex magnetic textures of nano structures at surfaces |
| title_alt | full-potential-first-principles-multiple-scattering-Green-function-method |
| title_auth | Development of a relativistic full-potential first-principles multiple scattering Green function method applied to complex magnetic textures of nano structures at surfaces |
| title_exact_search | Development of a relativistic full-potential first-principles multiple scattering Green function method applied to complex magnetic textures of nano structures at surfaces |
| title_full | Development of a relativistic full-potential first-principles multiple scattering Green function method applied to complex magnetic textures of nano structures at surfaces David Siegfried Georg Bauer |
| title_fullStr | Development of a relativistic full-potential first-principles multiple scattering Green function method applied to complex magnetic textures of nano structures at surfaces David Siegfried Georg Bauer |
| title_full_unstemmed | Development of a relativistic full-potential first-principles multiple scattering Green function method applied to complex magnetic textures of nano structures at surfaces David Siegfried Georg Bauer |
| title_short | Development of a relativistic full-potential first-principles multiple scattering Green function method applied to complex magnetic textures of nano structures at surfaces |
| title_sort | development of a relativistic full potential first principles multiple scattering green function method applied to complex magnetic textures of nano structures at surfaces |
| topic_facet | Hochschulschrift |
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| volume_link | (DE-604)BV023237997 |
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