First-principles calculations to investigate influence of transition metals TM (TM = Ti, Zr, Hf) on elastic properties and thermodynamic properties of ScB12 and YB12 dodecaborides
Yue Ma, Xudong Zhang, He Ma, Hui Guo, Feng Wang
Topics & Concepts
Materials scienceTransition metalDopingPhononAnisotropyChemical stabilityElastic modulusThermodynamicsWork (physics)Condensed matter physicsChemistryComposite materialPhysicsQuantum mechanicsBiochemistryCatalysisOptoelectronicsBoron and Carbon Nanomaterials ResearchRare-earth and actinide compoundsMetal and Thin Film Mechanics