Ab initio investigations of magnetic properties of ultrathin transition ...

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Forschungszentrum Jülich GmbH Institute for Advanced Simulation (IAS) Quantum Theory of Materials (IAS-1) Ab initio investigations of magnetic properties of ultrathin transition-metal films on 4d substrates Ali Al-Zubi Schriften des Forschungszentrums Jülich Reihe Schlüsseltechnologien / Key Technologies Band/Volume 16 ISSN 1866-1807 ISBN 978-3-89336-641-5
Bibliographic information published by the Deutsche Nationalbibliothek. The Deutsche Nationalbibliothek lists this publication in the Deutsche Nationalbibliografie; detailed bibliographic data are available in the Internet at http://dnb.d-nb.de Publisher and Forschungszentrum Jülich GmbH Distributor: Zentralbibliothek 52425 Jülich Phone +49 (0)2461 61-5368 · Fax +49 (0)2461 61-6103 e-mail: zb-publikation@fz-juelich.de Internet: http://www.fz-juelich.de/zb Cover Design: Grafische Medien, Forschungszentrum Jülich GmbH Printer: Grafische Medien, Forschungszentrum Jülich GmbH Copyright: Forschungszentrum Jülich 2010 Schriften des Forschungszentrums Jülich Schlüsseltechnologien / Schlüsseltechnologien Band / Volume 16 D 82 (Diss., RWTH Aachen, Univ., 2010) ISSN 1866-1807 ISBN 978-3-89336-641-5 The complete volume ist freely available on the Internet on the Jülicher Open Access Server (JUWEL) at http://www.fz-juelich.de/zb/juwel Neither this book nor any part of it may be reproduced or transmitted in any form or by any means, electronic or mechanical, including photocopying, microfilming, and recording, or by any information storage and retrieval system, without permission in writing from the publisher.
Page 1 and 2: Mitglied der Helmholtz-Gemeinschaft
Page 6 and 7: Abstract In this thesis, we investi
Page 10: ”A human being is part of the who
Page 13 and 14: II Contents 4.2.1 Relaxations and m
Page 15 and 16: 2 INTRODUCTION (ao =3.80 ˚A) is in
Page 17 and 18: 4 INTRODUCTION understanding of our
Page 19 and 20: 6 INTRODUCTION
Page 21 and 22: 8 1 Density functional theory (DFT)
Page 23 and 24: 10 1 Density functional theory (DFT
Page 29 and 30: 16 2 The FLAPW method 1 0 0 1 Figur
Page 31 and 32: 18 2 The FLAPW method nonlinear pro
Page 33 and 34: 20 2 The FLAPW method metal systems
Page 35 and 36: 22 2 The FLAPW method Then one can
Page 37 and 38: 24 2 The FLAPW method Evac is the v
Page 39 and 40: 26 2 The FLAPW method of the operat
Page 41 and 42: 28 2 The FLAPW method a matrix expr
Page 43 and 44: 30 3 Magnetism of low dimensional s
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40 3 Magnetism of low dimensional s
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52 4 Collinear magnetism of 3d-mono
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74 5 Fe monolayers on hexagonal non
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100 5 Fe monolayers on hexagonal no
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102 5 Fe monolayers on hexagonal no
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104 6 Co MCA from monolayers to ato
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116 rather subtle. To shed more lig
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118
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120 where, the relation � i H =
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122 Figure 6.8: The real (left) and
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124 E(q) = −M 2 ( 2J2 +2J6 +cos(
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126 For a 2D hexagonal lattice, the
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128 Bibliography [12] P. Ferriani,
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130 Bibliography [39] A. Dallmeyer,
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132 Bibliography [68] J. Perdew and
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134 Bibliography [101] L. Nordströ
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136 Bibliography [130] O. Le Bacq,
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138 Bibliography [160] P. M. Marcus
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140 Bibliography [190] R. Germar, W
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Acknowledgement I don’t know how
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Schriften des Forschungszentrums J
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