01720nam a2200229Ia 4500 CTU_210311 210402s9999 xx 000 0 und d 95.50 669.9 M827 Moruzzi, V. L. Calculated electronic properties of ordered alloys : A handbook : the elements and their 3d/3d and 4d/4d alloys V. L. Moruzzi, C.B. Sommers Singapore World Scientific 1995 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. Electronic structure,Hợp kim,Cấu trúc điện tử,Alloys Charts, diagrams, etc,Tính chất điện,Biểu đồ, sơ đồ, vv,Biểu đồ, sơ đồ, vv,Electric properties,Charts, diagrams, etc. Qhieu Trung tâm Học liệu Trường Đại học Cần Thơ