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This work theoretically investigates the electron and hole $g$-factors in CsPb$X_3$ perovskites using an 18-band $k \cdot p$ model parameterized by DFT calculations and linear response theory. The study reveals that external strain can significantly tune bulk $g$-factors across a wide range, even crossing zero, while quantum confinement in nanocrystals renders their $g$-factors largely insensitive to strain. These findings offer insights into the strain-tunability of spin properties in halide perovskites, relevant for spintronic applications.
External strain can tune bulk CsPb$X_3$ perovskite $g$-factors through zero, a tunability lost in nanocrystals due to quantum confinement.
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.