کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
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5426375 | 1395889 | 2006 | 5 صفحه PDF | دانلود رایگان |

We present results of ab initio calculations of structural, electronic and vibrational properties of the Ge(0Â 0Â 1) surface covered with a monolayer of arsenic. The fully occupied Ïu bonding and Ïg antibonding electronic states due to the As-As dimer formation are quite close in energy and their ordering is same as that found on the Si(0Â 0Â 1) surface. Using our calculated atomic and electronic structures, surface lattice dynamics was studied by employing a linear response approach based on density functional perturbation theory. A comparison of the phonon spectrum of the Ge(0Â 0Â 1)/As(2Â ÃÂ 1) surface with that of the clean Ge(0Â 0Â 1)(2Â ÃÂ 1) surface indicates the presence of several new characteristic phonon modes due to adsorption of As atoms.
Journal: Surface Science - Volume 600, Issue 18, 15 September 2006, Pages 3531-3535