当前位置: X-MOL 学术Pramana › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Pseudopotential study of wide band-gap GaN at high pressures
Pramana ( IF 1.9 ) Pub Date : 2020-06-05 , DOI: 10.1007/s12043-020-01947-4
N Bouarissa , H Algarni , M Ajmal Khan , O A Al-Hagan , T F Alhuwaymel

A pseudopotential approach is used to study the lattice and elastic properties of the wide band-gap GaN at zero and high pressures up to 120 kbar. When the pressure is 0 kbar, our findings are generally in agreement with the data reported in the literature. The pressure dependence of lattice constant, polarity, transverse effective charge, elastic constants and their related mechanical parameters, and microhardness has been examined and discussed. Our results show that all these features exhibit a monotonic behaviour against pressure. Upon compression up to 120 kbar, our results suggest that the material in question remains mechanically stable with higher stiffness, becomes more resistant to the deformations or deflections and its chemical bond and rigidity become stronger.

中文翻译:

高压下宽带隙 GaN 的赝势研究

赝势方法用于研究宽带隙 GaN 在零压力和高达 120 kbar 的高压下的晶格和弹性特性。当压力为 0 kbar 时,我们的研究结果通常与文献中报告的数据一致。已经检查和讨论了晶格常数、极性、横向有效电荷、弹性常数及其相关机械参数和显微硬度的压力依赖性。我们的结果表明,所有这些特征都表现出对压力的单调行为。在压缩至 120 kbar 时,我们的结果表明,所讨论的材料在具有更高刚度的情况下保持机械稳定性,变得更能抵抗变形或偏转,并且其化学键和刚度变得更强。
更新日期:2020-06-05
down
wechat
bug