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<p>This paper investigates the effect of gate voltage on bandgap modulation in bilayer graphene nanoribbons (BGNRs) with AA and AB stacking configurations, considering both zigzag and armchair edge geometries. Using a direct <i>k</i>-space diagonalisation approach applied to the nearest-neighbour tight-binding (NNTB) Hamiltonian, the study systematically examines electronic properties across a broad parameter space defined by stacking order, edge type, ribbon width classified by unit cells and gate voltages up to 2&#xa0;eV. The applied gate voltage generates an electric field that breaks inversion symmetry, enabling controlled bandgap tuning. Results reveal distinct stacking- and edge-dependent properties: zigzag AA-BGNRs show minimal bandgap variation, whereas zigzag AB-BGNRs exhibit significant, nearly linear bandgap modulation under gate voltage. For armchair BGNRs, the electronic response varies with ribbon width families (3<i>n</i>, 3<i>n</i> + 1, 3<i>n</i> + 2) and stacking type. Notably, the 3<i>n</i> and 3<i>n</i> + 2 families remain semiconducting at zero bias, with the 3<i>n</i> family presenting the largest intrinsic bandgaps (~ 0.6&#xa0;eV for AA, ~ 1.3&#xa0;eV for AB) and distinct gate-induced modulation. The 3<i>n</i> + 1 family, metallic in AA stacking regardless of gate voltage, undergoes a metal-to-semiconductor transition in AB stacking, with the bandgap opening and increasing as gate voltage rises. This comprehensive analysis provides quantitative insights into intrinsic and tunable bandgaps, establishing a unified framework for understanding stacking- and width-dependent electronic properties in BGNRs. The findings offer valuable design guidelines for gate-tunable nanoelectronic and optoelectronic devices, including field-effect transistors and reconfigurable circuits, by linking electronic properties directly to ribbon structural parameters.</p>

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Stacking and edge dependent bandgap modulation in AA- and AB- stacked bilayer graphene nanoribbons induced by gate voltage

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2025年8月25日

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  • Yuki Wong,
  • Nurul Ezaila Alias,
  • Suhana Mohamed Sultan,
  • Tian Swee Tan,
  • Muhammad Talal,
  • Cheng Siong Lim,
  • Michael Loong Peng Tan

摘要

This paper investigates the effect of gate voltage on bandgap modulation in bilayer graphene nanoribbons (BGNRs) with AA and AB stacking configurations, considering both zigzag and armchair edge geometries. Using a direct k-space diagonalisation approach applied to the nearest-neighbour tight-binding (NNTB) Hamiltonian, the study systematically examines electronic properties across a broad parameter space defined by stacking order, edge type, ribbon width classified by unit cells and gate voltages up to 2 eV. The applied gate voltage generates an electric field that breaks inversion symmetry, enabling controlled bandgap tuning. Results reveal distinct stacking- and edge-dependent properties: zigzag AA-BGNRs show minimal bandgap variation, whereas zigzag AB-BGNRs exhibit significant, nearly linear bandgap modulation under gate voltage. For armchair BGNRs, the electronic response varies with ribbon width families (3n, 3n + 1, 3n + 2) and stacking type. Notably, the 3n and 3n + 2 families remain semiconducting at zero bias, with the 3n family presenting the largest intrinsic bandgaps (~ 0.6 eV for AA, ~ 1.3 eV for AB) and distinct gate-induced modulation. The 3n + 1 family, metallic in AA stacking regardless of gate voltage, undergoes a metal-to-semiconductor transition in AB stacking, with the bandgap opening and increasing as gate voltage rises. This comprehensive analysis provides quantitative insights into intrinsic and tunable bandgaps, establishing a unified framework for understanding stacking- and width-dependent electronic properties in BGNRs. The findings offer valuable design guidelines for gate-tunable nanoelectronic and optoelectronic devices, including field-effect transistors and reconfigurable circuits, by linking electronic properties directly to ribbon structural parameters.