The influence of oxygen and fluorine on the electronic structure of InAlAs surface

PROCEEDINGS OF THE INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS WITH HIERARCHICAL STRUCTURE FOR NEW TECHNOLOGIES AND RELIABLE STRUCTURES 2019 Pub Date : 2019-11-19 DOI:10.1063/1.5131893

A. Bakulin, A. Fuks, M. Aksenov, N. A. Valisheva, S. Kulkova

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Abstract

The projector augmented-wave method is applied for investigation of oxygen and fluorine adsorption on the cation-terminated InAlAs(111) unreconstructed surface. The binding energies of both adsorbates with semiconductor surface are estimated. Their influence on the surface band structure and states within band gap is analyzed. It is shown that oxygen adsorption leads to appearance of additional surface states in the fundamental gap, whereas fluorine coadsorption results in partial or complete removal of the surface state and an unpinning of the Fermi level.The projector augmented-wave method is applied for investigation of oxygen and fluorine adsorption on the cation-terminated InAlAs(111) unreconstructed surface. The binding energies of both adsorbates with semiconductor surface are estimated. Their influence on the surface band structure and states within band gap is analyzed. It is shown that oxygen adsorption leads to appearance of additional surface states in the fundamental gap, whereas fluorine coadsorption results in partial or complete removal of the surface state and an unpinning of the Fermi level.

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氧和氟对InAlAs表面电子结构的影响

应用投影增强波法研究了氧和氟在阳离子端InAlAs(111)未重构表面的吸附。估计了两种吸附剂与半导体表面的结合能。分析了它们对带隙内表面能带结构和状态的影响。结果表明，氧吸附导致在基本间隙中出现额外的表面态，而氟共吸附导致部分或完全去除表面态并解除费米能级。应用投影增强波法研究了氧和氟在阳离子端InAlAs(111)未重构表面的吸附。估计了两种吸附剂与半导体表面的结合能。分析了它们对带隙内表面能带结构和状态的影响。结果表明，氧吸附导致在基本间隙中出现额外的表面态，而氟共吸附导致部分或完全去除表面态并解除费米能级。

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PROCEEDINGS OF THE INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS WITH HIERARCHICAL STRUCTURE FOR NEW TECHNOLOGIES AND RELIABLE STRUCTURES 2019

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