期刊
JOURNAL OF PHYSICS-CONDENSED MATTER
卷 24, 期 10, 页码 -出版社
IOP PUBLISHING LTD
DOI: 10.1088/0953-8984/24/10/104004
关键词
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资金
- Departamento de Educacion del Gobierno Vasco
- University of the Basque Country [IT-366-07]
- Spanish Ministerio de Ciencia e Inovacion [FIS 2010-19609-C02-01]
We present an ab initio study of the lattice dynamics of the Pb(111) surface. The calculations were carried out within the density-functional theory using a linear response approach in the mixed-basis pseudopotential representation. We observe a rich spectrum of surface localized modes, and make a detailed assignment to measured modes in a recent helium-atom scattering experiment. We find that the inclusion of spin-orbit coupling considerably softens the phonon spectrum of the surface, thereby improving the agreement with experiment significantly.
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