Molecular Nanomagnets Fundamental Understanding
:
Heike C. Herper, Barbara Brena, Carla Puglia, Sumanta Bhandary, Heiko Wende, Olle Eriksson, Biplab S
:
Molecular Nanomagnets Fundamental Understanding
:
Springer-Verlag
:
9789811537196
:
1
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CHF 47.50
:
:
Maschinenbau, Fertigungstechnik
:
English
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83
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This book focuses on 3d transition metal centered phthalocyanine molecules and their deposition on different substrates. Phthalocyanines are an ideal prototype since they can be grown flat on many surfaces. It highlights the molecule-substrate interaction and its influence on the magnetic and spectroscopic properties of the molecules as well as the influence of ligands - reviewing both experiential and theoretical data. Since experimental setups differ and approximations in theory vary and can influence the result, a substantial part is dedicated to a thorough discussion of the different experimental and computational methods from the point of view of reliability and predictive power.
Heike Herper is a researcher in the Division of Materials Theory at Uppsala University, Sweden. Her research focuses on the investigation of magnetic materials reaching from bulk to molecules deposited on metals aiming to identify new candidates for applications, in particular to find non-hazardous replacement materials for existing permanent magnets.
Barbara Brena is a researcher in the Division of Materials Theory at Uppsala University, Sweden. Her research focuses on electronic structure calculations, in particular she is interested in modeling soft x-ray spectroscopies of organic molecular materials, which are hot candidates for novel and environmental friendly technologies.
Carla Puglia is an Associate Professor in the division of Molecular and Condensed Matter Physics at Uppsala University, Sweden. Her research focus is on Many-body effects and excitonic features in materials.
Heiko Wende is a Professor and Head of the Magnetic Nanostructures group at the University of Duisburg-Essen. His research interests are in the area of Magnetic molecules; Magnetic Nanoparticles; Magnetic thin films and heterostructures.
Olle Eriksson is a Professor in the Division of Materials Theory at Uppsala University, Sweden. His research interests are in first principles calculations of bulk and surfaces, including magnetism and chemical bonding.
Biplab Sanyal is currently and Associate Professor in the Division of Materials Theory at Uppsala University, Sweden. His research interests are in the area of material structures. To his credit he has over 200 publications and 70 invited talks. He is a member of IEEE and the American Physical Society.
Foreword
6
Preface
8
Acknowledgements
9
Contents
10
Acronyms
12
1 Introduction
14
References
16
2 Experimental Techniques
18
2.1 X-ray Absorption Spectroscopy (XAS)
18
2.1.1 Coupling of FePc to Co Film
20
2.2 Photoelectron Spectroscopy (PES)
24
2.3 Adsorbate Core Level Shift: Final State Effects
26
2.4 Scanning Tunneling Microscopy (STM)
27
References
29
3 Theoretical Methods
31
3.1 Density Functional Theory
31
3.2 Hybrid Functionals
31
3.3 Electron Correlation
32
3.4 van der Waals Interaction
33
3.5 Magneto-Crystalline Anisotropy
34
3.6 Spin Dipole Moment
35
References
36
4 Electronic Structure of Isolated Molecules
37
4.1 Phthalocyanines with Transition Metal Center
37
4.2 MnPc
39
4.3 FePc
41
4.4 CoPc
43
4.5 NiPc
43
4.6 CuPc
44
References
45
5 Electron Correlation and Spin Transition
47
5.1 Electron Correlation: DFT++
47
5.2 Dynamical Hybridization Function
49
5.3 The Spin Transition
50
5.4 Kondo Effect and Hybrdization Function
53
References
54
6 Interaction with Substrates
56
6.1 Metal Substrates
56
6.1.1 Structural Aspects
57
6.1.2 Magnetic Coupling
63
6.1.3 Spin Moments and the Spin Dipole Contribution
68
6.2 Nonmetallic and Complex Substrates
71
References
72
7 Influence of Ligands
76
7.1 Phthalocyanine Molecules with Ligands
76
References
78
8 Applications
79
8.1 Spin Filtering Concept
79
8.2 Molecular Multilayers/Molecular Films
80
References
83
