Calculated Electronic Properties of Ordered Alloys: A Handbook - The Element and Their 3d/3D and 4d/4D Alloys
C B SommersV L Moruzzi
Gebundenes Buch

Calculated Electronic Properties of Ordered Alloys: A Handbook - The Element and Their 3d/3D and 4d/4D Alloys

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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 nonexisting 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 densit...