Electronic and elastic properties of metastable Zr3N4: a joint experimental and theoretical study

Phys. Chem. Chem. Phys., 2024, Advance Article DOI: 10.1039/D3CP05917K, PaperYuhe Liu, Kunlun Wang, Nina Ge, Hui Sun, Bo Dai, Yong Wang The electronic structures and elastic properties of metastable Zr3N4 phases have been investigated using the first-principles calculations with the Heyd –Scuseria–Ernzerhof (HSE06) hybrid functional, in comparison with those of the stable ZrN phase. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - April 12, 2024 Category: Chemistry Authors: Yuhe Liu Source Type: research