Abstract
By means of first-principles calculations, we report superior rigidity, ideal tensile, and shear strength for orthorhombic CrB4 and MnB4. The analysis of microscopic deformation mechanism reveals that the unique rectangular boron units in CrB4 and MnB4 are responsible for the consolidation of the directionality of boron-boron covalent bonds and the exceptional rigidity and ideal strength. The unusual mechanical properties of the orthorhombic tetraborides highlight their potential applications as intrinsically superhard materials. The unique rectangular boron unit also implies a criterion for designing and synthesizing transition metal boride based-materials with ultimate hardness and strength.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
