Multiple magnetic phase transitions, electrical and optical properties of FeTe2 single crystals.

Single-crystalline FeTe2 in marcasite phase with orthorhombic structure was prepared via chemical vapor transport. Cooling FeTe2 single crystals from room temperature down to [Formula: see text], multiple magnetic phase transitions were observed. Paramagnetic (PM) to antiferromagnetic (AFM) and then to ferromagnetic (FM) occurred at [Formula: see text] and [Formula: see text] for in-plane, [Formula: see text] and [Formula: see text] for out-of-plane, respectively. A strong uniaxial magnetic anisotropy was found due to FeTe6 octahedron distortion and structural modulation in FM region. The novel negative volume expansion (NVE) initiated in the vicinity of AFM to FM transition. An abrupt frequency shift of the most intense mode at [Formula: see text] and evolution of the Te-Te stretching mode near [Formula: see text], corresponding to the phase transition from AFM to FM were observed. The temperature-dependent resistance revealed an anomaly (semiconductor to metallic transition) around AFM-FM transition, which can easily be suppressed and move to high temperature by the applied magnetic field. The results from XRD, Raman and resistivity indicated that the structural parameters, vibration frequency and transport are sensitive to the phase transition from AFM to FM. The nature of direct band gap with [Formula: see text] was identified through UV-Vis-NIR spectrum of FeTe2 single crystals at room temperature.