机译:详细的计算研究,以研究金属(Bi、Sn、Tl)取代对相变、电子能带结构的影响及其对PbHfO3的光学、弹性、各向异性和力学性能的影响
Govt Coll Univ Lahore;
Lahore Coll Woman Univ Lahore;
Univ Engn & Technol;
Phase transformation; Semiconductor-metal transition; Applicable in UV region; Best choice for photovoltaic and photoelectric appliances; Mechanically stable structure; GENERALIZED GRADIENT APPROXIMATION; DENSITY-FUNCTIONAL THEORY; PEROVSKITE; 1ST-PRINCIPLES; SRTIO3; PBZRO3; DEPENDENCE; CRYSTALS;