自石墨烯在2004年被成功發現以來，帶動了各種單元和雙元二維材料的研究發展，並且III-VI族相關的二維材料已在實驗室成功合成。作為III-VI族材料之一，二維氧化鎵尚未在實驗室中成功合成，此外，氧化鎵的三維材料具有很大的應用價值。

在本文中我們用Vienna Ab initio Simulation Package（VASP）計算和分析二維和三維氧化鎵的幾何結構、空間電荷密度、能帶結構和態密度，並探討其中相關的物理機制。

Since the successful discovery of graphene in 2004, it has driven the research and development of various unitary and binary two-dimensional materials, and III-VI-related two-dimensional materials have been successfully synthesized in the laboratory. As one of the III-VI group materials, 2D gallium oxide has not been successfully synthesized in the laboratory. In addition, the three-dimensional material of gallium oxide has great application value.

In this paper, the Vienna Ab initio Simulation Package(VASP) is used to calculate and analyze the geometric structure, space charge density, band structure, and density of states of 2D and 3D gallium oxide, and explore the related physical mechanisms.

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