Boyang Huang , Hui Liao , Chunyan Song , Weihua Chen , Ningxuan Yang , Rui Wang , Guanghui Tang , Hongyu Ji , Jiaming Qi , Tingting Song
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引用次数: 0
摘要
这项工作基于第一性原理计算，研究了掺镁氮化镓块体材料的电子结构、光学特性和热电特性。它分析了掺镁杂质缺陷对氮化镓块体材料性能的影响。掺杂镁可以将氮化镓材料转化为 p 型半导体，这对于在基于氮化镓的电子器件中实现 p-n 结或 p 型层至关重要。计算结果表明，MgN-GaN和MgInterstitial-GaN（MgI-GaN）属于n型掺杂，而MgGa-GaN属于p型掺杂。此外，还计算了不同 GaN 掺杂模型的光学特性和热电性能。结果发现，MgN-GaN、MgGa-GaN、MgI-GaN 掺杂模型的最大 ZT 值分别达到了 4.46、5.09 和 5.35。与本征氮化镓材料相比，掺入镁杂质有助于提高半导体的 ZT 值。该研究成果对氮化镓基半导体材料在热电领域的应用具有重要意义。
Electronic structure, optical properties, and thermoelectric properties of Mg-doped GaN materials
This work was based on first principles calculations and investigated the electronic structure, optical properties, and thermoelectric properties of Mg doped GaN bulk materials. It analyzed the effect of Mg impurities defects on the properties of GaN bulk materials. Mg doping can transform GaN materials into p-type semiconductors, which is crucial for achieving p-n junctions or p-type layers in GaN based electronic devices. The calculation results showed that MgN-GaN and MgInterstitial-GaN(MgI-GaN) belong to n-type doping, while MgGa-GaN belongs to p-type doping. In addition, the optical properties and thermoelectric properties of different GaN doping models were calculated. It was found that the maximum ZT values of the MgN-GaN, MgGa-GaN, MgI-GaN doping models reached 4.46, 5.09 and 5.35, respectively. The Mg impurities can help improve the ZT value of semiconductors compared to intrinsic GaN material. This research result has significance for the application of GaN based semiconductor materials in thermoelectric fields.
期刊介绍：
Solid State Communications is an international medium for the publication of short communications and original research articles on significant developments in condensed matter science, giving scientists immediate access to important, recently completed work. The journal publishes original experimental and theoretical research on the physical and chemical properties of solids and other condensed systems and also on their preparation. The submission of manuscripts reporting research on the basic physics of materials science and devices, as well as of state-of-the-art microstructures and nanostructures, is encouraged.
A coherent quantitative treatment emphasizing new physics is expected rather than a simple accumulation of experimental data. Consistent with these aims, the short communications should be kept concise and short, usually not longer than six printed pages. The number of figures and tables should also be kept to a minimum. Solid State Communications now also welcomes original research articles without length restrictions.
The Fast-Track section of Solid State Communications is the venue for very rapid publication of short communications on significant developments in condensed matter science. The goal is to offer the broad condensed matter community quick and immediate access to publish recently completed papers in research areas that are rapidly evolving and in which there are developments with great potential impact.
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