Calculated electronic properties of ordered alloys : A handbook : the elements and their 3d/3d and 4d/4d alloys
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 CsC...
Đã lưu trong:
| Tác giả chính: | |
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| Định dạng: | Sách |
| Ngôn ngữ: | Undetermined |
| Được phát hành: |
Singapore
World Scientific
1995
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| Những chủ đề: | |
| Các nhãn: |
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| Thư viện lưu trữ: | Trung tâm Học liệu Trường Đại học Cần Thơ |
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| Tóm tắt: | 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 C3Au 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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