An ab initio investigation on boundary resistance for metallic grains

✍ Scribed by Ben-hu Zhou; Y. Xu; S. Wang; Guanghui Zhou; K. Xia

• Publisher: Elsevier Science
• Year: 2010
• Tongue: English
• Weight: 244 KB
• Volume: 150
• Category: Article
• ISSN: 0038-1098
• DOI: 10.1016/j.ssc.2010.04.015

✦ Synopsis

The electronic transport properties through metallic grain boundaries are investigated by a self-consistent approach combined with wave-function matching. It is demonstrated that the interface resistance, 2SR GB (sample area S times resistance R), for a 36.8 • [001] tilt grain boundary is 0.604 × 10 -15 m 2 , which is comparable with the previous room-temperature experimental result of SR GB = 0.36 × 10 -15 m 2 for the common grain boundary of face-centered cubic (fcc) copper. Furthermore, the resistance for a twin boundary is one order of magnitude lower than that of a common grain boundary, and is only half of that for stacking faults of fcc metal copper, as is expected. The results for other fcc metals are also discussed.