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商品コード: 9783319229508

Magnetic Interactions in Molecules and Solids

販売価格(税込): 11,411 円  (本体価格: 10,566 円+税)
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特集 > 分子磁性 > Magnetics

分野別 > 化学 > 無機化学

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書名

Magnetic Interactions in Molecules and Solids
著者・編者 de Graaf, C. & Broer, R.
出版社/発行元 Springer
発行年/月 2015年9月   
装丁 Hardcover
ページ数/巻数 246 ページ
ISBN 978-3-319-22950-8
発送予定 海外倉庫よりお取り寄せ 2-3週間以内に発送します

 

Desciption

 

This textbook is the second volume in the Theoretical Chemistry and Computational Modeling series and aims to explain the theoretical basis of magnetic interactions at a level that will be useful for master students in physical, inorganic and organic chemistry.

The book gives a treatment of magnetic interactions in terms of the phenomenological spin Hamiltonians that have been such powerful tools for chemistry and physics in the past half century, starting from the simple Heisenberg and Ising Hamiltonians and ending with Hamiltonians that include biquadratic, cyclic or anisotropic exchange. On the other hand, it also explains how quantum chemical methods, reaching from simple mean field methods to accurate models that include the effects of electron correlation and spin-orbit coupling, can help to understand the magnetic properties. Connecting the two perspectives is an essential aspect of the book, since it leads to a deeper understanding of the relation between physical phenomena and basic properties. It also makes clear that in many cases one can derive magnetic coupling parameters not only from experiment, but also from accurate ab initio calculations.
The book starts with introducing a selection of basic concepts and tools. Throughout the book the text is interlarded with exercises, stimulating the students to not only read but also verify the assertions and perform (parts of) the derivations by themselves. In addition, each chapter ends with a number of problems that can be used to check whether the material has been understood.

 

Contents:

 

1 Basic Concepts
1.1 Slater Determinants and Slater?Condon Rules
1.2 Generation of Many Electron Spin Functions
1.3 Perturbation Theory
1.4 Effective Hamiltonian Theory

2 One Magnetic Center
2.1 Atomic Magnetic Moments
2.2 The Eigenstates of Many-Electron Atoms
2.3 Further Removal of the Degeneracy of the N-electron States

3 Two (or More) Magnetic Centers
3.1 Localized Versus Delocalized Description
of the Two-Electron/Two-Orbital Problem
3.2 Model Spin Hamiltonians for Isotropic Interactions
3.3 From Micro to Macro: The Bottom-Up Approach
3.4 Complex Interactions

4 From Orbital Models to Accurate Predictions
4.1 Qualitative Valence-Only Models
4.2 Magnetostructural Correlations
4.3 Accurate Computational Models

5 Towards a Quantitative Understanding
5.1 Decomposition of the Magnetic Coupling
5.2 Mapping Back on a Valence-Only Model
5.3 Analysis with Single Determinant Methods
5.4 Analysis of Complex Interactions

6 Magnetism and Conduction
6.1 Electron Hopping
6.2 Double Exchange
6.3 A Quantum Chemical Approach to Magnetic Interactions
in the Solid State
6.4 Goodenough?Kanamori Rules
6.5 Spin Waves for Ferromagnets

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