发表机构
Wrocław University of Science and Technology（弗罗茨瓦夫科技大学）
机构由 AI 辅助整理，请以论文原文为准。AI 中文总结
本文通过18带k·p模型和线性响应理论，研究了CsPbX3体相和纳米晶中电子与空穴g因子对应变的响应，发现体相g因子可大范围调谐甚至过零，而纳米晶因量子限域对应变不敏感。
AI 中文摘要
本文从理论上研究了参考立方相无机铅卤化物钙钛矿中电子和空穴的g因子。我们采用18带$k \cdot p$模型，并利用DFT计算得到的目标能带结构确定其参数。我们使用线性响应理论计算g因子，并研究它们对外部应变的依赖性。随后，我们对钙钛矿纳米晶中的电子和空穴g因子进行了实空间计算。结果表明，体相g因子可以通过外部应变在很大范围内调谐。在某些情况下，应变可用于将g因子调谐至零。相比之下，由于量子限域效应，CsPb$X_3$纳米晶中的载流子g因子对应变的敏感性显著降低。
英文摘要
In this paper, we theoretically study the electron and hole $g$-factors in inorganic lead-halide perovskites for the reference cubic phase. We employ an 18-band $k \cdot p$ model and determine its parameters using target band structures obtained from DFT calculations. We use the linear response theory to calculate the $g$-factors and investigate their dependence on external strain. We then perform real-space calculations of the electron and hole $g$-factors in perovskite nanocrystals. We show that the bulk $g$-factors can be tuned over a wide range by external strain. In some cases, strain can be used to tune the $g$-factor through zero. By contrast, the carrier $g$-factors in CsPb$X_3$ nanocrystals are considerably less sensitive to strain due to quantum confinement.
