Crystal chemistry and ab initio prediction of ultrahard rhombohedral B2N2 and BC2N
Samir F. Matar, Vladimir L. Solozhenko
Topics & Concepts
Orthorhombic crystal systemDensity functional theoryCrystallographyAb initioTernary operationBulk modulusChemistryCrystal structureMaterials scienceCondensed matter physicsComputational chemistryPhysicsComputer scienceOrganic chemistryProgramming languageBoron and Carbon Nanomaterials ResearchMXene and MAX Phase MaterialsAdvanced ceramic materials synthesis