Germanene on Al(111): Interface Electronic States and Charge Transfer

被引:52
作者
Stephan, R. [1 ]
Hanf, M. C. [1 ]
Derivaz, M. [1 ]
Dentel, D. [1 ]
Asensio, M. C. [2 ]
Avila, J. [2 ]
Mehdaoui, A. [1 ]
Sonnet, P. [1 ]
Pirri, C. [1 ]
机构
[1] Univ Haute Alsace, CNRS, IS2M, UMR 7361, 3 Bis Rue Alfred Werner, F-68093 Mulhouse, France
[2] St Aubin, Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France
关键词
INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; BASIS-SET; SILICENE; AG(111); METALS; LEVEL; GE;
D O I
10.1021/acs.jpcc.5b10307
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The electronic structure of germanene is investigated by high resolution photoemission and density functional theory calculations. The core level Al 2p and Ge 3d lines are measured on germanene grown on Al(111) by using synchrotron radiation. The Ge 3d line is shifted toward the low binding energies with respect to bulk Ge, and shows three components, reflecting the sites multiplicity of the germanene atomic structure. The calculations reveal a sizable charge localization at the germanene/Al(111) interface, a charge transfer from the Al surface atoms to the germanene, and the existence of three nonequivalent Ge sites with three different atomic Bader charges, in agreement with the photoemission measurements.
引用
收藏
页码:1580 / 1585
页数:6
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