Effects of hydrogen in Ni(100) submonolayer homoepitaxy

Journal Article · Tue Apr 01 04:00:00 EST 1997 · Physical Review, B: Condensed Matter

DOI:https://doi.org/10.1103/PhysRevB.55.R10233· OSTI ID:491651

Haug, K ^[1]; Zhang, Z ^[2]; John, D ^[1]; Walters, C F ^[3]; Zehner, D M ^[2]; Plummer, W E ^[2]

---

1. Department of Chemistry, Lehigh University, Bethlehem, Pennsylvania 18015 (United States)
2. Solid State Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)
3. Department of Physics, University of Pennsylvania, Philadelphia, Pennsylvania 19104 (United States)

The effects of hydrogen in Ni(100) submonolayer homoepitaxy have been investigated by classical-potential total-energy calculations with semiclassical hydrogen zero-point-energy corrections. The fast diffusion of H on a flat Ni(100) surface is found to persist even when the surface is decorated with various intrinsic defects such as Ni adatoms, islands, and steps created during epitaxial growth. On the other hand, the presence of H significantly enhances the mobility of both Ni adatoms and Ni islands, resulting in a decrease in the Ni island density and a corresponding increase in the average island size. These results suggest that hydrogen will function as an antisurfactant in Ni(100) homoepitaxy. Connections to available experiments are made. {copyright} {ital 1997} {ital The American Physical Society}

• Research Organization: Oak Ridge National Laboratory
• DOE Contract Number: AC05-96OR22464
• OSTI ID: 491651
• Journal Information: Physical Review, B: Condensed Matter, Journal Name: Physical Review, B: Condensed Matter Journal Issue: 16 Vol. 55; ISSN PRBMDO; ISSN 0163-1829
• Country of Publication: United States
• Language: English

Related Subjects

66 PHYSICS
EPITAXY
HYDROGEN ADDITIONS
IMPURITIES
ISLANDS
MIGRATION
MONOCRYSTALS
NICKEL
TOTAL ENERGY SYSTEMS