Charge-Induced Conductance Modulation and Capacitive Properties of Two-Layer–like 2γ-In2Se3: Insights from Density Functional Theory

Abstract We investigate the field- and charge-driven electronic instabilities in two-layer–like 2γ-In2Se3 with implications for charge-induced conductance modulation. Using density functional theory, we examine the effects of an external electric field and charge doping on the electronic structure. While the electric field primarily redistributes charge carriers, charge doping directly controls the occupation of the Mexican-hat–like states and the associated van Hove singularity near the valence-band edge. The charge-controlled occupation of the Mexican-hat-like states governs both spin polarization and in-plane conductivity, thereby providing a microscopic mechanism for conductance modulation. This work suggests that two-layer-like 2γ-In2Se3 may provide a useful platform for exploring field- and charge-tunable electronic responses relevant to nanoelectronics.