Wanniarachchi, C.P.; Eidsvåg, W. A.; Arunasalam, T.; Ravirajan, P.; Velauthapillai, D.; Vajeeston, P.
(Elsevier, 2022)
Ab initio calculations were performed for cubic Fm-3 m (225) and tetragonal (I4/m) phases for
Cs2AgBiBr6(CaB2). We used the Vienna Ab Initio Simulation Package (VASP) to calculate the ground state
properties using two ...