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

Wei Li,1 Li Huang,1,* Raj Ganesh S. Pala,2,3 Guang-Hong Lu,4,5 Feng Liu,6 James W. Evans,7,8 and Yong Han7,8,† 1Department of Physics, Southern University of Science and Technology, Shenzhen, Guangdong 518055, People’s Republic of China 2Department of Chemical Engineering, Indian Institute of Technology Kanpur, UP, 208016, India 3Material Science Programme, Indian Institute of Technology Kanpur, UP, 208016, India 4Department of Physics, Beihang University, Beijing 100191, China 5Beijing Key Laboratory of Advanced Nuclear Materials and Physics, Beihang University, Beijing 100191, China 6Department of Materials Science and Engineering, University of Utah, Salt Lake City, Utah 84112, USA 7Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA 8Ames Laboratory–U.S. Department of Energy, Iowa State University, Ames, Iowa 50011, USA (Received 11 June 2017; revised manuscript received 24 September 2017; published 6 November 2017)