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cond-mat.mtrl-sci2025
Original mechanism of transformation from soft metallic (sp2/sp3) C12 to ultra-dense and ultra-hard (sp3) semi-conducting C12: Crystal chemistry and DFT characterizations
Samir F Matar
An original mechanism is proposed for a pressure-induced transformation of orthorhombic C12 from ground state normal pressure (NP) sp2/sp3 allotrope to ultra-dense and ultra-hard H…
cond-mat.mtrl-sci2019★ 2 cited
Electronic and magnetic properties of new binary uranium-boron compounds with 2D and 3D boron networks: A revisit of the U:B system
Samir F. Matar
Based on crystal chemistry rationale and calculations within the density functional theory DFT, the U:B system is complemented with additional binary compounds UB3, U2B6, and UB6 p…