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(Color online) The calculated stress-strain relations of CrB4 under tensile load (a) and shear load (b).
(Color online) Comparison of DOS of orthorhombic CrB4 and MnB4 with hexagonal WB4 and the “empty” Cr metal and “empty” B4 system, calculated by removal from orthorhombic CrB4 structure after fixed the lattice parameters. The black, red, and green lines denote s, p, and d orbitals, and the blue lines are total DOS.
(Color online) ELF of CrB4 in  direction at tensile strain of zero (a), 0.16 (b), and 0.22 (c).
(Color online) The calculated ELF and selected snapshots of boron units for CrB4 along the (100) deformation at shear strain of zero (a), 0.25 (b), and 0.30 (c).
Calculated lattice parameters, a(Å), b(Å), c(Å), and bulk modulus B 0 (GPa) of orthorhombic CrB4 and monoclinic MnB4, tetragonal C4 and B4 are also calculated for comparison (within GGA).
Calculated bulk modulus B (GPa), shear modulus G (GPa), Young’s modulus E (GPa), and Poisson’s ratio v of o-MB4 (M = Cr, Mn, Mo, Tc, W, and Re) and h-MB4 (M = Cr and Mn).
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