Crystal Structure Prediction of the Novel Cr<sub>2</sub>SiN<sub>4</sub> Compound via Global Optimization, Data Mining, and the PCAE Method

Crystal Structure Prediction of the Novel Cr<sub>2</sub>SiN<sub>4</sub> Compound via Global Optimization, Data Mining, and the PCAE Method

A number of studies have indicated that the implementation of Si in CrN can significantly improve its performance as a protective coating. As has been shown, the Cr-Si-N coating is comprised of two phases, where nanocrystalline CrN is embedded in a Si<sub>3</sub>N<sub>4</sub>...

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Bibliographic Details
Main Authors: Tamara Škundrić, Dejan Zagorac, Johann Christian Schön, Milan Pejić, Branko Matović
Format: Article
Language:English
Published: MDPI AG 2021-07-01
Series:Crystals
Subjects:
Cr-Si-N compounds
structure prediction
global optimization
computational studies
Online Access:https://www.mdpi.com/2073-4352/11/8/891

Internet

https://www.mdpi.com/2073-4352/11/8/891

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