DFT analysis of the physical properties of direct band gap semiconducting double perovskites A(2)BIrCl(6) (A = Cs, Rb; B = Na, K) for solar cells and optoelectronic applications

利用密度泛函理论（DFT）分析直接带隙半导体双钙钛矿A₂BIrCl₆（A = Cs, Rb; B = Na, K）的物理性质及其在太阳能电池和光电子器件中的应用