We present an ab initio study of the effect of spin-orbit coupling on the dynamical properties of the Tl(0001) surface as well as on the electron-phonon interaction at the surface. The calculations based on density-functional theory were carried out using a linear response approach and a mixed-basis pseudopotential method. It is shown that the spin-orbit effects on the phonon spectrum and the electron-phonon interaction at the Fermi level of the surface are weak but conspire to a reduction in the electron-phonon coupling strength by 16%. © 2011 American Chemical Society.
Sklyadneva, I., Heid, R., Bohnen, K., Echenique, P., Benedek, G., Chulkov, E. (2011). The Effect of Spin Orbit Coupling on the Surface Dynamical Properties and Electron Phonon Interaction of Tl(0001). JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, 115(25), 7352-7355 [10.1021/jp201081s].
The Effect of Spin Orbit Coupling on the Surface Dynamical Properties and Electron Phonon Interaction of Tl(0001)
BENEDEK, GIORGIO;
2011
Abstract
We present an ab initio study of the effect of spin-orbit coupling on the dynamical properties of the Tl(0001) surface as well as on the electron-phonon interaction at the surface. The calculations based on density-functional theory were carried out using a linear response approach and a mixed-basis pseudopotential method. It is shown that the spin-orbit effects on the phonon spectrum and the electron-phonon interaction at the Fermi level of the surface are weak but conspire to a reduction in the electron-phonon coupling strength by 16%. © 2011 American Chemical Society.
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