Crystal growth, density functional theory, and scintillation properties of TlMgX3 (X = Cl, Br, I).

In this paper we report on the crystal growth, density functional theory (DFT) calculations and scintillation properties of TlMgX 3 (X = Cl, Br, I). Crystals were grown by the Vertical Bridgman technique up to 16 mm in diameter and 25 mm long. Crystals of TlMgCl 3 and TlMgBr 3 belong to the family of the Perovskites and have the orthorhombic crystal structure. As a congruently melting composition, TlMgI 3 does not exist but probably forms Tl 2 MgI 4 instead. [ABSTRACT FROM AUTHOR]