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Materials | Handbook of the Band Structure of Elemental Solids - From Z = 1 To Z = 112

Handbook of the Band Structure of Elemental Solids

From Z = 1 To Z = 112

Papaconstantopoulos, Dimitris A.

2nd ed. 2015, XV, 655 p. 388 illus., 101 illus. in color.

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  • In addition to metals, this new edition contains information on semiconductors, insulators, the 5d series as well as heavier f-electron materials
  • Presents tight-binding parameters for the whole periodic table, not just the 3d and 4d series covered by related books 
  • Contains additional material on spin-orbit interaction, f-electron materials, and total energy data

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.

Content Level » Research

Keywords » Slater-Koster parameters - augmented-plane wave results - band structure calculations - band structures for elements - bcc structures - electronic properties of metals - fcc structures - hcp structures - nonorthogonal hamiltonian - spin-orbit interactions - tight-binding formalism - tight-binding parameters - total energy birch fit

Related subjects » Materials - Optics & Lasers - Theoretical, Mathematical & Computational Physics

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