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Exploration of the phase-diagram of Cr-Sb-compounds:

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Main Author:	Kuhn, Gerhard (Author)
Format:	Thesis/Dissertation Book
Language:	English
Published:	München 2017
Subjects:	Hochschulschrift
Links:	http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=029932943&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA
Physical Description:	129 Seiten Illustrationen, Diagramme

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Record in the Search Index

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adam_text	C ONTENTS 1 INTRODUCTION 13 2 THEORETICAL FRAMEWORK 17 2.1 DENSITY FUNCTIONAL THEORY............................................................................ 17 2.1.1 THE HOHENBERG-KOHN THEOREM S.................................................... 17 2.1.2 THE KOHN-SHAM EQUATIONS............................................................. 18 2.1.3 EXCHANGE CORRELATION FUNCTIONALS................................................. 19 2.1.4 SPIN DEPENDENT D F T ...................................................................... 22 2.1.5 RELATIVISTIC DENSITY FUNCTIONAL THEORY . ....................................... 23 2.2 THE KORRINGA-KOHN-ROSTOKER (KKR) METHOD ......................................... 24 2.2.1 THE GREEN FUNCTION......................................................................... 25 2.2.2 MULTIPLE SCATTERING TH E O R Y ............................................................. 27 2.2.3 THE FULLY RELATIVISTIC KKR TH E O R Y ................................................. 29 2.2.4 THE FULL P O TEN TIAL............................................................................ 30 2.2.5 THE CPA FOR A LLO Y S......................................................................... 31 2.2.6 EXCHANGE COUPLING CONSTANTS.......................................................... 31 2.2.7 THE TORQUE M E TH O D ......................................................................... 32 2.3 THE LAPW M ETHOD..................................................................................... 33 2.3.1 THE LMTO M ETHOD ......................................................................... 33 2.3.2 THE APW M E T H O D ......................................................................... 33 2.3.3 THE LAPW METHOD ...................................................................... 34 3 SUMMARY AND OUTLOOK 37 4 BIBLIOGRAPHY 39 5 PUBLICATIONS 41 5.1 PAPER 1: NIAS S TR U C TU R E ............................................................................ 41 5.2 PAPER 2: ZINC-BLENDE AND W U RTZITE.............................................................. 47 5.3 PAPER 3: CRSB AND CRSB 2 .......................................................................... 57 5.4 PAPER 4: CRSB2 AND FESB2 .......................................................................... 68 5.5 PAPER 5: CHROMIUM CHALCOGENIDES AND P N IC TID E S .................................. 77 5.6 PAPER 6: C RZ S B ........................................................................................... 88 5.7 PAPER 7: MNI_$ C R^ S B ............................................................................... 106 12 CONTENTS 5.8 PAPER 8: CR-SB MULTILAYER F I L M S ................................................................ 114 A APPENDIX 127 A.L CURRICULUM V I T A E ......................................................................................... 128 A.2 LIST OF PUBLICATIONS...................................................................................... 129
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spellingShingle	Kuhn, Gerhard Exploration of the phase-diagram of Cr-Sb-compounds
subject_GND	(DE-588)4113937-9
title	Exploration of the phase-diagram of Cr-Sb-compounds
title_auth	Exploration of the phase-diagram of Cr-Sb-compounds
title_exact_search	Exploration of the phase-diagram of Cr-Sb-compounds
title_full	Exploration of the phase-diagram of Cr-Sb-compounds Gerhard Kuhn
title_fullStr	Exploration of the phase-diagram of Cr-Sb-compounds Gerhard Kuhn
title_full_unstemmed	Exploration of the phase-diagram of Cr-Sb-compounds Gerhard Kuhn
title_short	Exploration of the phase-diagram of Cr-Sb-compounds
title_sort	exploration of the phase diagram of cr sb compounds
topic_facet	Hochschulschrift
url	http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=029932943&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA
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