机译:A detailed computational study to investigate the influence of metals (Bi, Sn, Tl) substitution on phase transition, electronic band structure and their implications on optical, elastic, anisotropic and mechanical properties of PbHfO3
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;