Herper / Brena / Puglia Molecular Nanomagnets

Fundamental Understanding
1. Auflage 2020
ISBN: 978-981-15-3719-6
Verlag: Springer Nature Singapore
Format: PDF
Kopierschutz: 1 - PDF Watermark

E-Book, Englisch, 83 Seiten

Reihe: Nanoscience and Nanotechnology

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.

Autoren/Hrsg.

Herper, Heike C.

Brena, Barbara

Puglia, Carla

Bhandary, Sumanta

Wende, Heiko

Eriksson, Olle

Sanyal, Biplab

S, Biplab

Inhaltsverzeichnis

1;Foreword;6
2;Preface;8
3;Acknowledgements;9
4;Contents;10
5;Acronyms;12
6;1 Introduction;14
6.1;References;16
7;2 Experimental Techniques;18
7.1;2.1 X-ray Absorption Spectroscopy (XAS);18
7.1.1;2.1.1 Coupling of FePc to Co Film;20
7.2;2.2 Photoelectron Spectroscopy (PES);24
7.3;2.3 Adsorbate Core Level Shift: Final State Effects;26
7.4;2.4 Scanning Tunneling Microscopy (STM);27
7.5;References;29
8;3 Theoretical Methods;31
8.1;3.1 Density Functional Theory;31
8.2;3.2 Hybrid Functionals;31
8.3;3.3 Electron Correlation;32
8.4;3.4 van der Waals Interaction;33
8.5;3.5 Magneto-Crystalline Anisotropy;34
8.6;3.6 Spin Dipole Moment;35
8.7;References;36
9;4 Electronic Structure of Isolated Molecules;37
9.1;4.1 Phthalocyanines with Transition Metal Center;37
9.2;4.2 MnPc;39
9.3;4.3 FePc;41
9.4;4.4 CoPc;43
9.5;4.5 NiPc;43
9.6;4.6 CuPc;44
9.7;References;45
10;5 Electron Correlation and Spin Transition;47
10.1;5.1 Electron Correlation: DFT++;47
10.2;5.2 Dynamical Hybridization Function;49
10.3;5.3 The Spin Transition;50
10.4;5.4 Kondo Effect and Hybrdization Function;53
10.5;References;54
11;6 Interaction with Substrates;56
11.1;6.1 Metal Substrates;56
11.1.1;6.1.1 Structural Aspects;57
11.1.2;6.1.2 Magnetic Coupling;63
11.1.3;6.1.3 Spin Moments and the Spin Dipole Contribution;68
11.2;6.2 Nonmetallic and Complex Substrates;71
11.3;References;72
12;7 Influence of Ligands;76
12.1;7.1 Phthalocyanine Molecules with Ligands;76
12.2;References;78
13;8 Applications;79
13.1;8.1 Spin Filtering Concept;79
13.2;8.2 Molecular Multilayers/Molecular Films;80
13.3;References;83