Wu Ning, Losovyj Ya B, Yu Zhaoxian, Sabirianov R F, Mei W N, Lozova N, Colón Santana J A, Dowben P A
Department of Physics and Astronomy and the Nebraska Center for Materials and Nanoscience, University of Nebraska-Lincoln, Lincoln, NE 68588-0111, USA.
J Phys Condens Matter. 2009 Nov 25;21(47):474222. doi: 10.1088/0953-8984/21/47/474222. Epub 2009 Nov 5.
The experimental and theoretical surface band structures of Mo(112) are compared. This surface band structure mapping is presented with corrections included for the lattice relaxation of the Mo(112) surface. Quantitative low energy electron diffraction (LEED) has been used to determine the details of the Mo(112) surface structure. The first layer contraction is 14.9% by LEED intensity versus voltage analysis and is in general agreement with the 17.6% contraction found from total surface energy optimization. The electronic band structure is mapped out along [Formula: see text]-[Formula: see text] and [Formula: see text]-[Formula: see text] of the surface Brillouin zone (SBZ). There is strong evidence of electron-phonon coupling particularly in the region of the Fermi level band crossing at 0.54 Å(-1).
对Mo(112)的实验和理论表面能带结构进行了比较。给出了这种表面能带结构映射，并包含了对Mo(112)表面晶格弛豫的修正。定量低能电子衍射(LEED)已被用于确定Mo(112)表面结构的细节。通过LEED强度与电压分析，第一层收缩率为14.9%，这与通过总表面能优化得到的17.6%的收缩率总体一致。沿着表面布里渊区(SBZ)的[公式：见正文]-[公式：见正文]和[公式：见正文]-[公式：见正文]绘制了电子能带结构。有强有力的证据表明存在电子-声子耦合，特别是在费米能级带在0.54 Å(-1)处交叉的区域。
