Coupling Between Magnetic and Transport Properties in Magnetic Layered Material Mn2-xZnxSb

We synthesized single crystals for Mn2-xZnxSb and studied their magnetic and electronic transport properties. This material system displays rich magnetic phase tunable with temperature and Zn composition. In addition, two groups of distinct magnetic and electronic properties, separated by a critical Zn composition of x = 0.6, are discovered. The Zn-less samples are metallic and characterized by a resistivity jump at the magnetic ordering temperature, while the Zn-rich samples lose metallicity and show a metal-to-insulator transition-like feature tunable by magnetic field. Our findings establish Mn2-xZnxSb as a promising material platform that offers opportunities to study how the coupling of spin, charge, and lattice degrees of freedom governs interesting transport properties in 2D magnets, which is currently a topic of broad interest.Comment: 23 pages, 5 figures, Figures are at the end of the manuscrip

Synthesis, Crystal and Electronic Structures, Nonlinear Optical Properties, and Magnetic Properties of Two Thiophosphates: KInP2S7 and KCrP2S7

Two thiophosphates, KInP2S7 and KCrP2S7, were structurally characterized without investigating any optical properties. Herein in this work, KInP2S7 and KCrP2S7 were revisited to investigate their optical and magnetic properties, respectively. Pure polycrystalline samples and crystals of KInP2S7 and KCrP2S7 were grown by high temperature solid state reactions, where mm-sized crystals of KCrP2S7 were collected. KCrP2S7 is isostructural to KInP2S7, which features a layered structure. KInP2S7 and KCrP2S7 possess close relationship to the layered thiophosphate M2P2S6 (M = Fe, Co, Zn, etc.). The bonding pictures of KInP2S7 were studied using the electron localization function (ELF) coupled with crystal orbital Hamilton population (COHP) calculations. The intrinsically distorted [PS4] tetrahedra and [InS6] octahedra are made by strong covalent P-S interactions and ionic In-S interactions, respectively. Electronic structure analysis confirmed that the optical properties of KInP2S7 are mainly contributed to by [PS4] tetrahedra together with small amounts of the contributions coming from [InS6] octahedra. Magnetic measurement on mm-sized crystals of KCrP2S7 verified that there is an antiferromagnetic transition around 21 K, and the Cr atoms are trivalent. KInP2S7 is predicated to be an indirect bandgap semiconductor of 2.38 eV, which is confirmed by the UV-Vis measurement of 2.4(1) eV. KInP2S7 is not a type-I phase-matching material and exhibits moderate second harmonic generation (SHG) response (0.51 × AgGaS2, sample of particle size of 100 µm). The laser damage threshold (LDT) of KInP2S7 is very high of 5.2 × AgGaS2. Bandgap engineering were undergone to enhance the SHG response of KInP2S7

Synthesis, Crystal and Electronic Structures, Nonlinear Optical Properties, and Magnetic Properties of Two Thiophosphates: KInP₂S₇ and KCrP₂S₇

Two thiophosphates, KInP2S7 and KCrP2S7, were structurally characterized without investigating any optical properties. Herein in this work, KInP2S7 and KCrP2S7 were revisited to investigate their optical and magnetic properties, respectively. Pure polycrystalline samples and crystals of KInP2S7 and KCrP2S7 were grown by high temperature solid state reactions, where mm-sized crystals of KCrP2S7 were collected. KCrP2S7 is isostructural to KInP2S7, which features a layered structure. KInP2S7 and KCrP2S7 possess close relationship to the layered thiophosphate M2P2S6 (M = Fe, Co, Zn, etc.). The bonding pictures of KInP2S7 were studied using the electron localization function (ELF) coupled with crystal orbital Hamilton population (COHP) calculations. The intrinsically distorted [PS4] tetrahedra and [InS6] octahedra are made by strong covalent P-S interactions and ionic In-S interactions, respectively. Electronic structure analysis confirmed that the optical properties of KInP2S7 are mainly contributed to by [PS4] tetrahedra together with small amounts of the contributions coming from [InS6] octahedra. Magnetic measurement on mm-sized crystals of KCrP2S7 verified that there is an antiferromagnetic transition around 21 K, and the Cr atoms are trivalent. KInP2S7 is predicated to be an indirect bandgap semiconductor of 2.38 eV, which is confirmed by the UV-Vis measurement of 2.4(1) eV. KInP2S7 is not a type-I phase-matching material and exhibits moderate second harmonic generation (SHG) response (0.51 × AgGaS2, sample of particle size of 100 µm). The laser damage threshold (LDT) of KInP2S7 is very high of 5.2 × AgGaS2. Bandgap engineering were undergone to enhance the SHG response of KInP2S7