Abstract

AbstractGa2Te3 crystallizes into the zinc‐blende structure, where one third of the cation sites is vacant. Single crystal X‐ray diffraction studies on quenched and annealed Ga2Te3 and CuGaTe2 crystals are reported. The obtained diffraction maps show, other than the zinc‐blende type main reflections, satellite reflections at q1∼1/17[110]c in quenched Ga2Te3 crystals and q2∼1/20[210]c in annealed Ga2Te3 crystals, where the subscript c means the cubic sub‐lattice. The analysis of the satellite reflections shows that the modulation is two dimensional, and is ascribed to a coupled mode of the amplitude type modulation caused by Ga vacancies and the displacive modulation of surrounding Te atoms, which has the polarization vector along the <001>c direction. The nature of the atomic modulations is discussed and the origin of the modulation is ascribed to Jahn‐Teller type distortions around Ga vacancies. The experiments done on CuGaTe2 crystals indicate that the cation disorder compound sphalerite type CuGaTe2 contain the same modulated structure as Ga2Te3 crystals, but the cation ordered compound chalcopyrite type CuGaTe2 does not show the modulation. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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