Low compressible BP$_3$N$_6$

George S. Manyali; James Sifuna

doi:10.1063/1.5129268

paper

Low compressible BP $_{3}$ N $_{6}$

arXiv:1909.08879 · doi:10.1063/1.5129268

Abstract

Using first principles calculation, the structural and mechanical properties of BP $_{3}$ N $_{6}$ which adopts an orthorhombic structure with space group Pna2 $_{1}$ (no. 33), were determined at three different pressure values (0, 20 and 42.4~GPa). The nine independent elastic constants meet all necessary and sufficient conditions for mechanical stability criteria for an orthorhombic crystal. BP $_{3}$ N $_{6}$ show strong resistance to volume change hence a potential low compressible material. The Vicker's hardness of BP $_{3}$ N $_{6}$ was found to range between 49-51~GPa for different external pressures imposed on the crystal. These high values of Vicker's hardness implies that BP $_{3}$ N $_{6}$ is a potential superhard material.

6 pages, 1 figure

Low compressible BP3​N6​

Abstract

Low compressible BP $_{3}$ N $_{6}$