Anharmonic effects at the Ni(100) surface.
作者： Yvon Beaudet , Laurent J. Lewis , Mats Persson
关键词: Anisotropy 、 Thermal expansion 、 Dynamic structure factor 、 Electron diffraction 、 Phonon 、 Anharmonicity 、 Surface phonon 、 Mean squared displacement 、 Materials science 、 Condensed matter physics
摘要: Using molecular dynamics with embedded-atom potentials, we investigate the role of anharmonicities at (100) surface Ni. In accord recent low-energy electron diffraction (LEED) measurements [Y. Cao and E. Conrad, Phys. Rev. Lett. 65, 2808 (1990)], observe an anomalously large thermal expansion surface, a concomitant rapid increase mean-square amplitudes vibration, extraordinary attenuation LEED intensities. These anomalies appear temperature about 900 K, well below onset disordering. We find no evidence anomalous softening phonons
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