A linear relativistic method for the calculation of band structure in transition metals with results for Au

✍ Scribed by Prof. Dr. P. Ziesche; H. Wonn; U. Fleck

• Publisher: John Wiley and Sons
• Year: 1980
• Tongue: English
• Weight: 184 KB
• Volume: 15
• Category: Article
• ISSN: 0232-1300
• DOI: 10.1002/crat.19800151214

✦ Synopsis

Abstract

With a linear relativistic method we calculated the band structure of gold. A comparison with the results of a RAPW calculation shows that the deviation is about 3%. The effort of computational time is for the linear method considerably smaller than for the RAPW method.