Exploring Bonding Configurations in MnBiTe-Type Materials.

We perform a systematic investigation of several crystal structures, based on monolayer MnBiTe, of the form MnBBXX using first-principles calculations. Our analysis shows that the most energetically favorable bonding configuration of the constituent elements in monolayer MnBBXX is determined by the bond length between the Mn atom and its nearest X-site atoms. Tuning the bonding configuration of the material alters the magnetic, electronic, and topological properties.

Effect of Dual-Organic Cations on the Structure and Properties of 2D Hybrid Perovskites as Scintillators.

Two-dimensional (2D) hybrid organic-inorganic perovskite (HOIP) crystals show promise as scintillating materials for wide-energy radiation detection, outperforming their three-dimensional counterparts. In this study, we synthesized single crystals of (PEABZA)PbBr ( ranging from 0.1 to 2), utilizing phenethylammonium (CHCHCHNH) and benzylammonium (CHCHNH) cations.

Strain-induced topological phase transition in ferromagnetic Janus monolayer MnSbBiSTe.

We investigate a strain-induced topological phase transition in the ferromagnetic Janus monolayer MnSbBiSTe using first-principles calculations. The electronic, magnetic, and topological properties are studied under biaxial strain within the range of -8 to +8%. The ground state of monolayer MnSbBiSTe is metallic with an out-of-plane magnetic easy axis.

Anisotropic optical properties of single SiTe nanoplates.

We report a combined experimental and computational study of the optical properties of individual silicon telluride (SiTe) nanoplates. The p-type semiconductor SiTe has a unique layered crystal structure with hexagonal closed-packed Te sublattices and Si-Si dimers occupying octahedral intercalation sites. The orientation of the silicon dimers leads to unique optical and electronic properties.