Institute of Physics of National Academy of Sciences of Ukraine, Kiev, Ukraine.
J Phys Condens Matter. 2011 Jun 8;23(22):225503. doi: 10.1088/0953-8984/23/22/225503. Epub 2011 May 17.
The electron-phonon (e-p) coupling for the surface bands of Mo(112) has been studied by density functional theory (DFT). There are significant contributions from the surface phonon modes to the low frequency part of the phonon density of states and Eliashberg function, which results in enhanced e-p coupling at the surface and, consequently, an increase of the mass enhancement factor and the imaginary part of the self-energy. We suggest that the enhanced e-p coupling, together with anharmonic effects, scattering off impurities, as well as decay channels through adjacent bulk bands, leads to the increase of the linewidth of the electronic surface bands crossing the Fermi level observed in high resolution photoemission spectra of the Mo(112) surface.
采用密度泛函理论（DFT）研究了 Mo(112)表面能带的电子-声子（e-p）耦合。表面声子模式对声子态密度和 Eliashberg 函数的低频部分有显著贡献，这导致表面的 e-p 耦合增强，从而增加了质量增强因子和自能的虚部。我们认为，增强的 e-p 耦合，加上非谐效应、杂质散射以及通过相邻体带的衰减通道，导致了在 Mo(112)表面的高分辨率光电子能谱中观察到的穿过费米能级的电子表面能带线宽增加。
