This handbook presents electronic structure data and tabulations
of Slater-Koster parameters for the whole periodic table. This
second edition presents data sets for all elements up to Z = 112,
Copernicium, whereas the first edition contained only 53
elements.
In this new edition, results are given for the equation of state
of the elements together with the parameters of a Birch fit, so
that the reader can regenerate the results and derive additional
information, such as Pressure-Volume relations and variation of
Bulk Modulus with Pressure. For each element, in addition to the
equation of state, the energy bands, densities of states and a set
of tight-binding parameters is provided.
For a majority of elements, the tight-binding parameters are
presented for both a two- and three-center approximation. For the
hcp structure, new three-center tight-binding results are given.
Other new material in this edition include: energy bands and
densities of states of all rare-earth metals, a discussion of the
McMillan-Gaspari-Gyorffy theories and a tabulation of the
electron-ion interaction matrix elements. The evaluation of the
Stoner criterion for ferromagnetism is examined and results are
tabulated. This edition also contains two new appendices discussing
the effects of spin-orbit interaction and a modified version of
Harrison's tight-binding theory for metals which puts the theory on
a quantitative basis.
General
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