Calculated Electronic Properties Of Ordered Alloys:a Handbook - The Element And Their 3d/3d And 4d/4d Alloys
Seiten
1995
World Scientific Publishing Co Pte Ltd (Verlag)
978-981-02-1918-5 (ISBN)
World Scientific Publishing Co Pte Ltd (Verlag)
978-981-02-1918-5 (ISBN)
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Provides a guide to the calculated electronic properties of elements and of 3d/3d and 4d/4d ordered alloys. 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.
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.
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.
bcc and fcc elements; 3d transition-metal alloys (CsCl); 3d transition-metal alloys (CuAu); 3d transition-metal alloys (Cu3Au); 3d transition-metal alloys (AuCu3); 4d transition-metal alloys (CsCl); 4d transition-metal alloys (CuAu); 4d transition-metal alloys (Cu3Au); 4d transition-metal alloys (AuCu3); description of results.
| Erscheint lt. Verlag | 1.4.1995 |
|---|---|
| Verlagsort | Singapore |
| Sprache | englisch |
| Themenwelt | Naturwissenschaften ► Chemie ► Anorganische Chemie |
| Naturwissenschaften ► Chemie ► Physikalische Chemie | |
| Naturwissenschaften ► Physik / Astronomie ► Festkörperphysik | |
| Technik | |
| ISBN-10 | 981-02-1918-0 / 9810219180 |
| ISBN-13 | 978-981-02-1918-5 / 9789810219185 |
| Zustand | Neuware |
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