Title Molecular nanomagnets : fundamental understanding / Heike C. Herper, Barbara Brena, Carla Puglia, Sumanta Bhandary, Heiko Wende, Olle Eriksson, Biplab Sanyal

Published Singapore : Springer, ©2020

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Description 1 online resource (83 pages) Series SpringerBriefs in applied sciences and technology, 2191-5318 Nanoscience and nanotechnology, 2196-1689 SpringerBriefs in applied sciences and technology. SpringerBriefs in applied sciences and technology. Nanoscience and nanotechnology Contents Intro -- Foreword -- Preface -- Acknowledgements -- Contents -- Acronyms -- 1 Introduction -- References -- 2 Experimental Techniques -- 2.1 X-ray Absorption Spectroscopy (XAS) -- 2.1.1 Coupling of FePc to Co Film -- 2.2 Photoelectron Spectroscopy (PES) -- 2.3 Adsorbate Core Level Shift: Final State Effects -- 2.4 Scanning Tunneling Microscopy (STM) -- References -- 3 Theoretical Methods -- 3.1 Density Functional Theory -- 3.2 Hybrid Functionals -- 3.3 Electron Correlation -- 3.4 van der Waals Interaction -- 3.5 Magneto-Crystalline Anisotropy -- 3.6 Spin Dipole Moment -- References 4 Electronic Structure of Isolated Molecules -- 4.1 Phthalocyanines with Transition Metal Center -- 4.2 MnPc -- 4.3 FePc -- 4.4 CoPc -- 4.5 NiPc -- 4.6 CuPc -- References -- 5 Electron Correlation and Spin Transition -- 5.1 Electron Correlation: DFT++ -- 5.2 Dynamical Hybridization Function -- 5.3 The Spin Transition -- 5.4 Kondo Effect and Hybrdization Function -- References -- 6 Interaction with Substrates -- 6.1 Metal Substrates -- 6.1.1 Structural Aspects -- 6.1.2 Magnetic Coupling -- 6.1.3 Spin Moments and the Spin Dipole Contribution -- 6.2 Nonmetallic and Complex Substrates -- References 7 Influence of Ligands -- 7.1 Phthalocyanine Molecules with Ligands -- References -- 8 Applications -- 8.1 Spin Filtering Concept -- 8.2 Molecular Multilayers/Molecular Films -- References Summary 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 Bibliography Includes bibliographical references Notes Print version record Subject Molecular machinery. Nanotechnology. Molecular machinery Nanotechnology Form Electronic book Author Brena, Barbara Puglia, Carla Bhandary, Sumanta Wende, Heiko, 1970- Eriksson, Olle. Sanyal, Biplab. ISBN 9789811537196 9811537194 9789811537202 9811537208

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