First-principles Calculations of the Physical Properties and Stability of ScN
Today, the world is widely interested in studying the rare earth nitride materials due to their important physical properties. The hardness of most rare earth nitrides are usually unstable at ambient conditions , therefore, we employed the theoretical calculation represented by the first principle technique for discover more properties about the rare earth nitrides. The goal of the present work is using the ab initio calculation to reveal more information and details of the compound ScN stability and properties.
This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License.