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 TlMgX3 (X = Cl, Br, I). Crystals were grown by the Vertical Bridgman technique up to 16 mm in diameter and 25 mm long. Crystals of TlMgCl3 and TlMgBr3 belong to the family of the Perovskites and have the orthorhombic crystal structure. As a congruently melting composition, TlMgI3 does not exist but probably forms Tl2MgI4 instead.

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This paper presents the crystal growth, density functional theory (DFT) calculations and scintillation properties of TlMgX3 (X = Cl, Br, I). Crystals with diameters up to 16 mm and lengths up to 25 mm were grown using the Vertical Bridgman technique. TlMgCl3 and TlMgBr3 crystals belong to the Perovskite family and have an orthorhombic crystal structure. TlMgI3, as a congruently melting composition, does not exist and possibly forms Tl2MgI4 instead.