Preface
Magnetic interactions are not only fascinating from an academic viewpoint, they
also play an increasingly important role in chemistry, especially in the chemistry
that is aimed at designing materials with predefined properties. Many of these
materials are magnetic, either in their ground states or by external perturbation and
have found their way into real-world applications as molecular switches, sensors or
memories. Although magnetic interactions are commonly orders of magnitude
weaker than other interactions like covalent bonding, due to these interactions small
changes in composition or external conditions may have huge consequences for the
properties. Think for example of perovskite-type manganese oxides, where chemical doping affects the interplay between magnetic and electric properties, leading to
giant or collossal magnetic resistance. An obvious example dealing with molecular
(non-bulk) moieties can be found in the design of single-molecule magnets.
Obtaining systems with tailor-made properties heavily depends on our knowledge
of the interactions between local magnetic sites.
This textbook aims to explain the theoretical basis of magnetic interactions at a
level that will be useful for master’s students in chemistry. Although it has been
written as a volume in the series “Theoretical and Computational Chemistry”, the
book is intended to be also helpful for students of physical, inorganic and organic
chemistry. Most chemistry textbooks give only a brief general introduction, whereas
textbooks treating magnetic interactions at a more advanced level are mostly written
from the perspective of solid-state physics, aiming at physics students.
This volume gives a treatment of magnetic interactions in terms of the phenomenological spin Hamiltonians that have been such powerful tools in chemistry
and physics in the past half century. On the other hand, it also explains the magnetic
properties using many-electron quantum mechanical models, first at a simple level
and then working towards more and more advanced and accurate treatments.
Connecting the two perspectives is an essential aspect of the book. It makes clear
that in many cases one can derive magnetic coupling parameters not only from
experiment, but also, independently, from accurate ab initio calculations.
Combining the two approaches leads, in addition, to a deeper understanding of the
vii
Magnetic interactions are not only fascinating from an academic viewpoint, they
also play an increasingly important role in chemistry, especially in the chemistry
that is aimed at designing materials with predefined properties. Many of these
materials are magnetic, either in their ground states or by external perturbation and
have found their way into real-world applications as molecular switches, sensors or
memories. Although magnetic interactions are commonly orders of magnitude
weaker than other interactions like covalent bonding, due to these interactions small
changes in composition or external conditions may have huge consequences for the
properties. Think for example of perovskite-type manganese oxides, where chemical doping affects the interplay between magnetic and electric properties, leading to
giant or collossal magnetic resistance. An obvious example dealing with molecular
(non-bulk) moieties can be found in the design of single-molecule magnets.
Obtaining systems with tailor-made properties heavily depends on our knowledge
of the interactions between local magnetic sites.
This textbook aims to explain the theoretical basis of magnetic interactions at a
level that will be useful for master’s students in chemistry. Although it has been
written as a volume in the series “Theoretical and Computational Chemistry”, the
book is intended to be also helpful for students of physical, inorganic and organic
chemistry. Most chemistry textbooks give only a brief general introduction, whereas
textbooks treating magnetic interactions at a more advanced level are mostly written
from the perspective of solid-state physics, aiming at physics students.
This volume gives a treatment of magnetic interactions in terms of the phenomenological spin Hamiltonians that have been such powerful tools in chemistry
and physics in the past half century. On the other hand, it also explains the magnetic
properties using many-electron quantum mechanical models, first at a simple level
and then working towards more and more advanced and accurate treatments.
Connecting the two perspectives is an essential aspect of the book. It makes clear
that in many cases one can derive magnetic coupling parameters not only from
experiment, but also, independently, from accurate ab initio calculations.
Combining the two approaches leads, in addition, to a deeper understanding of the
vii