6533b834fe1ef96bd129d47e

RESEARCH PRODUCT

Pressure-induced structural and semiconductor-semiconductor transitions in Co0.5Mg0.5Cr2O4

Sudeshna SamantaSaadah Abdul RahmanClaudio CazorlaC. MenéndezXiaodong LiHajra SaqibLin WangDaniel ErrandoneaJinbo ZhangJunling Lu

subject

Phase transitionMaterials scienceSpinelAb initio02 engineering and technologyengineering.material021001 nanoscience & nanotechnology01 natural sciencesCondensed Matter::Materials ScienceCrystallographyTetragonal crystal systemsymbols.namesakeAb initio quantum chemistry methodsElectrical resistivity and conductivityPhase (matter)0103 physical sciencesengineeringsymbols010306 general physics0210 nano-technologyRaman spectroscopy

description

The effect of pressure on the structural, vibrational, and electronic properties of Mg-doped Cr bearing spinel $\mathrm{C}{\mathrm{o}}_{0.5}\mathrm{M}{\mathrm{g}}_{0.5}\mathrm{C}{\mathrm{r}}_{2}{\mathrm{O}}_{4}$ was studied up to 55 GPa at room-temperature using x-ray diffraction, Raman spectroscopy, electrical transport measurements, and ab initio calculations. We found that the ambient-pressure phase is cubic (spinel-type, $Fd\overline{3}m$) and underwent a pressure-induced structural transition to a tetragonal phase (space group $I\overline{4}m2$) above 28 GPa. The ab initio calculation confirmed this first-order phase transition. The resistivity of the sample decreased at low pressures with the existence of a low-pressure (LP) phase and started to increase with the emergence of a high-pressure (HP) phase. The temperature dependent resistivity experiments at different pressures illustrated the wide band gap semiconducting nature of both the LP and HP phases with different activation energies, suggesting a semiconductor-semiconductor transition at HP. No evidence of chemical decomposition or a semiconductor-metal transition was observed in our studies.

https://doi.org/10.1103/physrevb.97.174102