Localization in the core- and 4d-electrons of niobium metal

✍ Scribed by J.-L. Staudenmann; K.-M. Ho; W. Pearson; D. Ward; R.D. Horning; W.B. Yelon

• Publisher: Elsevier Science
• Year: 1985
• Weight: 310 KB
• Volume: 135
• Category: Article
• ISSN: 0378-4363
• DOI: 10.1016/0378-4363(85)90538-8

✦ Synopsis

The first direct observation of the localization of a fraction of the 4d-electron in Nb as well as some pronounced core deformation is reported. The theoretical predictions of Harmon and Ho [1] and of Morruzi et al. [2] are used to extract the corresponding information from the data. A Nb spherical crystal of 0.2 cm radius has been measured on the y-ray single crystal diffractometer of the Missouri University Research reactor. This instrument uses the 15~ Sm wavelength at 0.1202/~. The sample was at room temperature. It is shown that the spherically symmetric 4d-electron localization occurs between 0.51 and 0.67/k away from the nucleus positions and that the "core effect" is seen between 0.32 and 0.37 .~.