Computation of the lattice dynamics for the low-coverage Au/Cu(111) ordered metallic surface alloy system

被引：1
作者：
Chadli, Rabah [1 ]
Menguelti, Bilal [1 ]
Khater, Antoine [2 ,3 ]
机构：
[1] Mouloud Mammeri Univ, Lab Phys & Quantum Chem, BP 17 RP, Tizi Ouzou 15000, Algeria
[2] Le Mans Univ, Dept Phys, F-72085 Le Mans, France
[3] Jan Dlugosz Univ, Inst Phys, Dept Theoret Phys, Czestochowa, Poland
来源：
PHYSICA B-CONDENSED MATTER | 2021年 / 606卷
关键词：
Ordered metallic surface alloy; Lattice dynamics; Surface phonons and resonances; Local densities of states (LDOS); Green's functions; Phase field matching theory (PFMT); PHONON-DISPERSION; ELECTRONIC-STRUCTURE; CRYSTAL-LATTICE; CO; SPECTROSCOPY; ADSORPTION; AU;
D O I：
10.1016/j.physb.2021.412822
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
The lattice dynamics of the ordered Au/Cu(111) surface alloy system are investigated, in particular for the lowcoverage ordered Cu(111)-Au (root 3 x root 3) R30 degrees surface alloy structure. The computations are developed using the phase field matching theory (PFMT) and the Green's functions (GF) formalism. Dispersion branches for surface phonons and resonances along the directions of high symmetry (Gamma M) over bar, (MK) over bar, and (K Gamma) over bar of the two-dimensional (2D) surface Brillouin zone (BZ) of the system, are computed. The vibration local densities of states (LDOS) are also determined for representative atomic sites at the surface alloy boundary. The lattice dynamics of the Cu (111)-Au (root 3 X root 3) R30 degrees surface reveal novel surface phonon and resonance dispersion branches that could be of potential interest for electronic, chemical, and spintronic applications, notably via electron-phonon interactions at this surface.
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页数：7
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