The Rise of 212 MAX Phase Borides: DFT Insights into the Physical Properties of Ti<sub>2</sub>PB<sub>2</sub>, Zr<sub>2</sub>PbB<sub>2</sub>, and Nb<sub>2</sub>AB<sub>2</sub> [A = P, S] for Thermomechanical Applications
M. A. Ali, M. M. Hossain, M. M. Uddin, A.K.M.A. Islam, S. H. Naqib
Abstract
[A = P, S] to the incident photon was studied by computing the dielectric constant (real and imaginary parts), refractive index, absorption coefficient, photoconductivity, reflectivity, and energy loss function. In this work, we have explored the physical basis of the improved thermomechanical properties of 212 MAX phase borides compared to their existing carbide and boride counterparts.
Topics & Concepts
Materials scienceBoridePhononElastic modulusPhase (matter)Refractive indexDensity of statesVickers hardness testCondensed matter physicsAnalytical Chemistry (journal)ThermodynamicsComposite materialMicrostructureChemistryOrganic chemistryPhysicsOptoelectronicsChromatographyMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials Research2D Materials and Applications