A chemical view of spin magnetic phenomena in finite (atoms and molecules) and infinite
(transition metals and their alloys) systems using the concepts of bonding and electronic …

Publisher Summary The term “invar” stands for alloys showing minimum thermal expansion
coefficients (maximum spontaneous volume magnetostriction) in certain ranges of …

Rigorous expressions for the exchange parameters of classical Heisenberg model applied
to crystals are obtained using a local spin density functional (LSDF) approach and KKR …

The anomalously low thermal expansion of Fe–Ni Invar has long been associated with
magnetism, but to date, the microscopic underpinnings of the Invar behaviour have eluded …

This book, in the broadest sense, is an application of quantum mechanics and statistical
mechanics to the field of magnetism. Under certain well described conditions, an immensely …

This is the first book to present both classical and quantum-chemical approaches to
computational methods, incorporating the many new developments in this field from the last …

The different magnetic phases of the bcc and fcc forms of Fe, Co, and Ni are studied by
analyzing total-energy surfaces in moment-volume parameter space obtained from energy …

Using the total-energy general-potential linearized-augmented-plane-wave method, we
have tested the adequacy of the local-spin-density approximation for describing the …

The magnetization in ultrathin Fe layers (2.5–3.5 atomic layers) on Cu (100) reversibly
switches between perpendicular (at low temperature) and in-plane magnetization (at higher …

The massively parallelized full-potential linearized augmented plane-wave bulk and film
program FLEUR for first-principles calculations in the context of density functional theory …