Calculated Electronic Properties of Ordered Alloys

A Handbook - The Element and Their 3d/3D and 4d/4D Alloys

By: V. L. Moruzzi, C. B. Sommers

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Hardcover | 1 April 1995

At a Glance

Hardcover
448 Pages

Dimensions(cm)
22.86 x 16.51 x 2.54

Hardcover

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This is a handbook of calculated electronic properties of elements and of 3d/3d and 4d/4d ordered alloys. The book derives the ground-state or equilibrium properties of the metallic elements in both bcc and fcc structures, and of existing and non-existing ordered binary transition-metal alloys in CsCl, CuAu, and Cu3Au structures by the analysis of binding curves, or total energy vs volume curves, calculated from first-principles augmented-spherical-wave methods. The calculated properties, energy bands along symmetry lines in the respective Brillouin zones, and the total and I-decomposed density-of-states for each constituent is presented in a convenient single-page format. The calculated quantities presented include lattice constants, total energies, bulk moduli, potential at the nucleus, and charge densities at the nucleus and in the interstitial regions.

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