Kimuyu, Magdalene Mutheu; Musembi, Robinson; Mwabora, Julius; Nyongesa, Francis
(Materials Advances, 2023-12-28)
A Zintl-phased K3Ag3As2 ternary compound previously not studied using ab initio techniques was analysed for its structural, electronic, mechanical, elastic, and optical properties using LDA-PZ, GGA-EV, GGA-PBE, GGA-PBESol, ...