圖1 (a)?順電和 (b) 鐵電態(tài)下單層TiOCl₂的俯視圖和側(cè)視圖

圖2??順電和鐵電態(tài)下單層TiOCl₂的?(a-b)?PBE能帶和 (c-d) G₀W₀準(zhǔn)粒子能帶結(jié)構(gòu)

圖3 (a-b)??順電和鐵電態(tài)下準(zhǔn)粒子帶隙內(nèi)的激子能譜及其相對(duì)振子強(qiáng)度；(c-f) PEx、PEz、FEx和FEz激子的BSE能帶結(jié)構(gòu)；(g-h) PEz和FEz激子的實(shí)空間激子波函數(shù)

圖4?(a) 不同態(tài)構(gòu)型下的激子壽命和結(jié)合能；(b)?六種態(tài)對(duì)應(yīng)的激子能帶結(jié)構(gòu)

【論文鏈接】

Qu, H. &?Li, Y.?Giant enhancement of exciton radiative lifetime by ferroelectric polarization: The case of monolayer?TiOCl₂.?Phys. Rev. B,?2023, 107, 235407. https://doi.org/10.1103/PhysRevB.107.235407

【其他相關(guān)文獻(xiàn)】

[1]?Jiang, Z., Liu, Z., Li, Y. et al. Scaling Universality between Band Gap and Exciton Binding Energy of Two-Dimensional Semiconductors.?Phys. Rev. Lett.,?2017, 118, 266401. https://doi.org/10.1103/PhysRevLett.118.266401

[2]?Jiang, Z., Li, Y., Zhang, S. et al. Realizing an intrinsic excitonic insulator by decoupling exciton binding energy from the minimum band gap.?Phys. Rev. B,?2018, 98, 081408(R). https://doi.org/10.1103/PhysRevB.98.081408