Electronic and elastic properties of metastable Zr<sub>3</sub>N<sub>4</sub>: a joint experimental and theoretical study-Reference-Cited by-同舟云学术

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

Published:2024 Issue:16 Volume:26 Page:12709-12716
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Liu Yuhe¹²,Wang Kunlun¹²,Ge Nina³,Sun Hui¹²^ORCID,Dai Bo³,Wang Yong¹²^ORCID

Affiliation:

1. School of Space Science and Physics, Shandong University, Weihai 264209, China

2. Weihai Research Institute of Industrial Technology, Shandong University, Weihai 264209, China

3. State Key Laboratory for Environmental-friendly Energy Materials, Southwest University of Science and Technology, Mianyang 621010, China

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.

Funder

Natural Science Foundation of Shandong Province

National Key Research and Development Program of China

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D3CP05917K

Reference41 articles.

1. Characterization of chemical vapor deposited HfN multilayer coatings on cemented carbide cutting tools

2. Structure and properties of ZrN coatings deposited by high power impulse magnetron sputtering technology

3. Gas‐phase transport of WF6 through annular nanopipes in TiN during chemical vapor deposition of W on TiN/Ti/SiO2 structures for integrated circuit fabrication

4. Effects of film thickness and deposition rate on the diffusion barrier performance of titanium nitride in Cu-through silicon vias

5. Reconfigurable Radio‐Frequency High‐Electron Mobility Transistors via Ferroelectric‐Based Gallium Nitride Heterostructure