Predicting <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si20.svg" display="inline" id="d1e345"> <mml:mi>Ψ</mml:mi> </mml:math> -BN: Computational insights into its mechanical, electronic, and optical characteristics
Fábio Ferreira Monteiro, K. A. L. Lima, Luiz Antônio Ribeiro
Topics & Concepts
Density functional theoryGrapheneContext (archaeology)Ab initioMaterials sciencePhononBand gapElectronic structureStiffnessComputational chemistryStatistical physicsNanotechnologyCondensed matter physicsPhysicsChemistryQuantum mechanicsOptoelectronicsComposite materialBiologyPaleontologyGraphene research and applications2D Materials and ApplicationsBoron and Carbon Nanomaterials Research