Abstract

Here we report the synthesis of two new quaternary chalcogenides KMgCuSe2 and KMgCuTe2. Both single-crystal and polycrystalline samples have been obtained using self-flux method and high temperature reaction. These two compounds adopt ThCr2Si2-type structure which is composed of edge-sharing [Mg0.5Cu0.5Se4] and [Mg0.5Cu0.5Te4] tetrahedral layers separated by K+ ions. Single-crystal refinement reveals the random distribution of Mg and Cu with ratio of 1:1 in the centre of tetrahedron motifs. The Mg-Se and Mg-Te bond lengths in KMgCuSe2 and KMgCuTe2 are markedly shorter than those in binary MgSe and MgTe, but are comparable with the Cu-Se and Cu-Te bond lengths in binary Cu chalcogenides. In addition, the tetrahedral configurations in KMgCuSe2 and KMgCuTe2 are highly distorted with strong compression along c axis. These two new Mg chalcogenides are semiconductors with the indirect band gaps estimated from optical absorption spectra as 1.26 and 1.36 eV for KMgCuSe2 and KMgCuTe2. Magnetic susceptibility measurements indicates the paramagnetic behavior of KMgCuSe2 and KMgCuTe2 with small effective magnetic moment ueff (0.35 and 0.31 μB per Mg/Cu).

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