The crystal and electronic structures, dynamical stabilities and thermal properties, elastic constants and mechanical stabilities, Born effective charges and dielectric constants of a novel tetragonal ZrO2 phase: First-principles calculations
Yan Zhang, Huaxin Chen, Li Duan, Jibin Fan
Topics & Concepts
Tetragonal crystal systemDielectricAnisotropyCondensed matter physicsMaterials scienceCrystal (programming language)ThermodynamicsChemistryCrystallographyCrystal structureOpticsPhysicsOptoelectronicsProgramming languageComputer scienceMXene and MAX Phase MaterialsAdvanced ceramic materials synthesisBoron and Carbon Nanomaterials Research