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Stability of Carbon Incorpoated Semipolar GaN(1101) Surface

机译:碳结合半极性GaN(1101)表面的稳定性

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摘要

The structural stability of carbon incorporated GaN(1101) surfaces is theoretically investigated by performing first-principles pseudopotential calculations. The calculated surface formation energies taking account of the metal organic vapor phase epitaxy conditions demonstrate that several carbon incorporated surfaces are stabilized depending on the growth conditions. Using surface phase diagrams, which are obtained by comparing the calculated adsorption energy with vapor-phase chemical potentials, we find that the semipolar surface forms NH_2 and CH_2 below ~1660 K while the polar GaN(0001) surface with CH_3 is stabilized below ~1550 K. This difference could be one of possible explanations for p-type doping on the semipolar GaN(1101) surface.
机译:理论上通过执行第一性原理pseudo势计算研究了掺碳GaN(1101)表面的结构稳定性。考虑到金属有机气相外延条件而计算出的表面形成能表明,根据生长条件,几个掺入碳的表面是稳定的。使用表面相图,通过将计算出的吸附能与气相化学势进行比较,我们发现半极性表面在〜1660 K以下形成NH_2和CH_2,而CH_3的极性GaN(0001)表面稳定在〜1550以下K。这种差异可能是对半极性GaN(1101)表面上的p型掺杂的可能解释之一。

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  • 来源
    《Japanese journal of applied physics》 |2011年第8issue1期|p.080216.1-080216.3|共3页
  • 作者单位

    Department of Physics Engineering, Mie University, Tsu 514-8507, Japan;

    Department of Physics Engineering, Mie University, Tsu 514-8507, Japan;

    Department of Physics Engineering, Mie University, Tsu 514-8507, Japan;

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