CALCULATED ELECTRONIC PROPERTIES OF...
The Elements and Their 3d/3d and 4d/4d Alloys| By: | Sommers C B; Moruzzi V L |
| Publisher: | World Scientific Publishing |
| Print ISBN: | 9789810219185 |
| eText ISBN: | 9789812815514 |
| Edition: | 0 |
| Format: | Page Fidelity |
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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 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.