Electronic and elastic properties of metastable Zr<sub>3</sub>N<sub>4</sub>: a joint experimental and theoretical study

Liu, Yuhe; Wang, Kunlun; Ge, Nina; Sun, Hui; Dai, Bo; Wang, Yong

doi:10.1039/d3cp05917k

Phys. Chem. Chem. Phys.

2024

DOI: 10.1039/d3cp05917k

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

Yuhe Liu,

Kunlun Wang,

Nina Ge

et al.

Abstract: 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.

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

Abstract: 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.

Cited by 0 publications

References 46 publications

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

Abstract: 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.

Cited by 0 publications

References 46 publications

No citations

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