Tight-binding calculation of the electronic states of bulk-terminated GaAs(311)A and B surfaces

• 来源期刊: 中国物理（英文版）
• 学科: 物理学
• 关键词: tight-binding calculation high-index crystal surface surface states resonance states
• 年，卷（期）: 2002,（1）
• 页码范围: 58-65
• 页数: 8页
• 分类号: O4
• 语种: 英文

摘要

We have carried out theoretical investigations on the electronic structure of GaAs(311)A and GaAs(311)B sur-faces. The bulk electronic structure of GaAs has been described by the second-neighbour tight-binding formalism andthe surface electronic structure was evaluated via an analytic Green function method. First, we present the surfaceband structure together with the projected bulk band of both Ga-terminated and As-terminated for GaAs(311)A andGaAs(311)B surfaces, respectively. In each case, the number of surface states is determined, and the localized surfacefeatures and orbitproperties of these surface states along -Y-S-X- high symmetry lines of the surface Brillouinzone are discussed. For the Ga-terminated GaAs(311)A (1×1) surface, we have tested two possible structure models,i.e. "the bridge site" and "the hollow site" models. In comparison with the angle-resolved photoelectron spectroscopystudied recently, the results have shown that the surface electronic states of the hollow site model are in good agreementwith the experiments, whereas those of the bridge site model are not. So we have concluded that the hollow site modelis favourable for the Ga-terminated GaAs(311) (1× 1) surface and the bridge site model should be excluded.