Energetic, mechanical and dynamical stability, electronic and bonding properties of new antiperovskite nitrides Y3AlN and Y3GaN: DFT and QTAIM investigation-Reference-Cited by-同舟云学术

Energetic, mechanical and dynamical stability, electronic and bonding properties of new antiperovskite nitrides Y3AlN and Y3GaN: DFT and QTAIM investigation

Published:2023-10 Issue: Volume:667 Page:415212
ISSN:0921-4526
Container-title:Physica B: Condensed Matter
language:en
Short-container-title:Physica B: Condensed Matter

Author:

Kadri A.^ORCID,Bouafia H.^ORCID,Hiadsi S.^ORCID

Publisher

Elsevier BV

Subject

Electrical and Electronic Engineering,Condensed Matter Physics,Electronic, Optical and Magnetic Materials

Reference56 articles.

1. Dynamical and mechanical stability, electronic properties, bonding and weak interactions analysis of new compounds MgS2 and MgSe2 in Pa3‾ space group structure: Ab initio study

2. Magnetic ground state and pressure effect study on elasticity, electronic and magnetic properties of KUO3: DFT+U, GLLB-SC, mBJ and QTAIM investigations

3. Elastic properties of cubic perovskite BaRuO3 from first-principles calculations

4. Ab initio study of the structural, electronic and elastic properties of AgSbTe2, AgSbSe2, Pr3AlC, Ce3AlC, Ce3AlN, La3AlC and La3AlN compounds

5. Magnetic properties and Mössbauer study of perovskite LaMn0.5Fe0.5O3

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