skip to main content

DOE PAGESDOE PAGES

Title: Thickness-dependent energetics for Pb adatoms on low-index Pb nanofilm surfaces: First-principles calculations

Authors:
; ; ; ; ; ;
Publication Date:
Grant/Contract Number:
AC02-07CH11358
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 96 Journal Issue: 20; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1407439

Li, Wei, Huang, Li, Pala, Raj Ganesh S., Lu, Guang-Hong, Liu, Feng, Evans, James W., and Han, Yong. Thickness-dependent energetics for Pb adatoms on low-index Pb nanofilm surfaces: First-principles calculations. United States: N. p., Web. doi:10.1103/PhysRevB.96.205409.
Li, Wei, Huang, Li, Pala, Raj Ganesh S., Lu, Guang-Hong, Liu, Feng, Evans, James W., & Han, Yong. Thickness-dependent energetics for Pb adatoms on low-index Pb nanofilm surfaces: First-principles calculations. United States. doi:10.1103/PhysRevB.96.205409.
Li, Wei, Huang, Li, Pala, Raj Ganesh S., Lu, Guang-Hong, Liu, Feng, Evans, James W., and Han, Yong. 2017. "Thickness-dependent energetics for Pb adatoms on low-index Pb nanofilm surfaces: First-principles calculations". United States. doi:10.1103/PhysRevB.96.205409.
@article{osti_1407439,
title = {Thickness-dependent energetics for Pb adatoms on low-index Pb nanofilm surfaces: First-principles calculations},
author = {Li, Wei and Huang, Li and Pala, Raj Ganesh S. and Lu, Guang-Hong and Liu, Feng and Evans, James W. and Han, Yong},
abstractNote = {},
doi = {10.1103/PhysRevB.96.205409},
journal = {Physical Review B},
number = 20,
volume = 96,
place = {United States},
year = {2017},
month = {11}
}

Works referenced in this record:

Projector augmented-wave method
journal, December 1994

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Ab initiomolecular dynamics for liquid metals
journal, January 1993

A climbing image nudged elastic band method for finding saddle points and minimum energy paths
journal, December 2000
  • Henkelman, Graeme; Uberuaga, Blas P.; J�nsson, Hannes
  • The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904
  • DOI: 10.1063/1.1329672

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
journal, April 1990