KMnCuTe2: a layered antiferromagnetic semiconductor with long metal–metal distance† † Electronic supplementary information (ESI) available: Crystal data, atomic coordinates, displacement parameters and anisotropic displacement parameters of KMnCuTe2 (Tables S1–S3) and PXRD patterns in Fig. S1. CCDC 2193743. For ESI and crystallographic data in CIF or other electronic format see DOI: https://doi.org/10.1039/d2ra04789f

ABSTRACT: The magnetic semiconductor in a two-dimensional system is a major subject for both theoretical and experimental investigations. Here we report the synthesis of a new quaternary manganese chalcogenide KMnCuTe2, which shows layered structure and antiferromagnetic (AFM) semiconducting features. Single crystals of KMnCuTe2 were obtained using a self-flux method and based on single-crystal X-ray diffraction, KMnCuTe2 adopts the ThCr2Si2-type structure composed of edge-sharing tetrahedral layers separated by K+ cations. The Mn and Cu atoms randomly distribute in the centre of tetrahedral units. Attributed to the large radius of Te, KMnCuTe2 has large lattice parameters (a = 4.3115(3) Å and c = 14.9360(20) Å), leading to a long metal–metal distance (3.049 Å) in the tetrahedral layers. Based on the experiments and theoretical calculations, KMnCuTe2 exhibits a G-type AFM interaction with the transition temperature at around 225 K and an indirect semiconducting nature with the band gap of 0.95 eV. The magnetic semiconducting property of KMnCuTe2 is unique in AMnMCh2 systems (A = Li, Na, K, M = Cu, Ag and Ch = S, Se, Te), which could be associated with the large metal–metal distance. Our work not only highlights the role of metal–metal interactions on regulating the properties of ThCr2Si2-type compounds, but also provides a feasible strategy to obtain the layered magnetic semiconductor. We synthesized a new quaternary telluride KMnCuTe2 with long metal–metal distance in tetragonal layers, which shows an indirect band gap of 0.95 eV and long-range antiferromagnetic ordering.

SUBMITTER: Sun F 

PROVIDER: S-EPMC9552607 | biostudies-literature | 2022 Oct

REPOSITORIES: biostudies-literature