Boron monosulfide: Equation of state and pressure-induced phase transition

K. A Cherednichenko (1) , I. A Kruglov (2) , A. R Oganov (3) , Y. Le Godec (4) , M. Mezouar (5) , Vladimir L Solozhenko (1)

1 LSPM - Laboratoire des Sciences des Procédés et des Matériaux
2 MIPT - Moscow Institute of Physics and Technology [Moscow]
3 Skoltech - Skolkovo Institute of Science and Technology [Moscow]
4 IMPMC - Institut de minéralogie, de physique des matériaux et de cosmochimie
5 ESRF - European Synchrotron Radiation Facility

Quasi-hydrostatic compression of rhombohedral boron monosulfide (r-BS) has been studied up to 50 GPa at room temperature using diamond-anvil cells and angle-dispersive synchrotron X-ray diffraction. A fit of the experimental P-V data to the Vinet equation of state yields bulk modulus B 0 of 42.2(1.4) GPa and its first pressure derivative B 0 ′ of 7.6(2) that are in excellent agreement with our ab initio calculations. Formation of a new high-pressure phase of boron monosulfide (hp-BS) has been observed above 35 GPa. According to ab initio evolutionary crystal structure predictions combined with Rietveld refinement of high-pressure X-ray diffraction data, the structure of hp-BS has trigonal symmetry and belongs to the space group P-3m1. As it follows from electron density of states calculations, the phase transformation is accompanied by an insulator-metal transition.

Mots clés: boron sulfide; high pressure; equation of state; phase transition

Domaines: Matière Condensée [cond-mat]

K. A Cherednichenko, I. A Kruglov, A. R Oganov, Y. Le Godec, M. Mezouar, et al.. Boron monosulfide: Equation of state and pressure-induced phase transition. Journal of Applied Physics, 2018, 123 (13), pp.135903. ⟨10.1063/1.5025164⟩. ⟨hal-02332798⟩