硫掺杂锑化镓的电子结构和电学性质

Electronic Structure and Electrical Properties of S-doped GaSb

锑化镓(GaSb)因其具有高电子迁移率和低功耗等特点受到关注,但由于该材料存在大量的受主缺陷使其在应用上受到一定限制。因此,研究GaSb中的缺陷物理以改善材料性能显得尤为重要。运用基于密度泛函理论框架下的第一性原理计算方法,研究了含本征缺陷GaSb及S掺杂GaSb(001)表面的电子结构和电学特性。计算结果表明,GaSb缺陷是GaSb中主要的受主缺陷,S原子倾向于分布在近表面区域,随着S掺杂浓度增加,材料的导电属性发生明显的改变。研究结果有助于理解S掺杂对GaSb电导率的影响,并为GaSb基半导体的设计提供理论指导。

Gallium antimonide(GaSb)has attracted much attention because of its high electron mobility and low power consumption.However,its application is limited due to a large number of acceptor defects.Therefore,it is particularly important to study the acceptor defect physics in GaSb to improve the material properties.Using the first-principles calculation method based on the density functional theory(DFT)framework,the electronic structure and electrical properties of GaSb intrinsic defects and S-doped GaSb(001)surfaces with intrinsic defects were studied.The calculation results show that Gasb defect is the main acceptor defect in GaSb,and S atoms tend to be distributed near the surface.With the increase of S-doped concentration,the conductive properties of the material change significantly.The research results are helpful to understand the influence of S-doped on the conductivity of GaSb and provide theoretical guidance for the design of GaSb-based semiconductors.