Precise radiative lifetimes in bulk crystals from first principles: the case of wurtzite gallium nitride

Precise radiative lifetimes in bulk crystals from first principles: the case of wurtzite gallium nitride
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从第一原理得出块状晶体的精确辐射寿命:以纤锌矿氮化镓为例

DOI:
10.1088/1361-648x/ab5563
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发表时间:
2020
期刊:
Journal of Physics: Condensed Matter
影响因子:
--
通讯作者:
Bernardi, Marco
Bernardi, Marco
中科院分区:
--
文献类型:
--
作者:
Jhalani, Vatsal A;Chen, Hsiao-Yi;Palummo, Maurizia;Bernardi, Marco

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氮化镓(GaN)是固态照明的关键半导体,但其辐射过程尚未完全了解。在这里,我们展示了一种第一性原理方法来精确计算块状单轴晶体的辐射寿命,重点是纤锌矿氮化镓。我们计算的辐射寿命与100 K以下的实验结果吻合得很好。我们表明,考虑激子(通过Bethe-Salpeter方程)和自旋轨道耦合对于计算精确的辐射寿命是必不可少的。激子解离成自由载流子的模型使我们能够计算到室温的辐射寿命。我们的工作能够精确计算iii -氮化物和其他各向异性固体发射器的辐射寿命。
Gallium nitride (GaN) is a key semiconductor for solid-state lighting, but its radiative processes are not fully understood. Here we show a first-principles approach to accurately compute the radiative lifetimes in bulk uniaxial crystals, focusing on wurtzite GaN. Our computed radiative lifetimes are in very good agreement with experiment up to 100 K. We show that taking into account excitons (through the Bethe–Salpeter equation) and spin–orbit coupling is essential for computing accurate radiative lifetimes. A model for exciton dissociation into free carriers allows us to compute the radiative lifetimes up to room temperature. Our work enables precise radiative lifetime calculations in III-nitrides and other anisotropic solid-state emitters.
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影响因子: 3.7
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