Magnetic, elastic and optical properties of zinc peroxide (ZnO2): First principles study

[Display omitted] •XO22− materials have on-site coulomb repulsion for p-electron of oxygen atoms.•The metal vacancy converts XO2 (peroxide based materials) as “d0 magnet”.•Mechanical stability and hardness of pure, Zn and O-vacant ZnO2.•Zn vacancies tune the optical properties of ZnO2, indicates app...

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Veröffentlicht in:	Journal of alloys and compounds 2015-01, Vol.620, p.156-163
Hauptverfasser:	Thapa, Ranjit, Ghosh, Saurabh, Sinthika, S., Mathan Kumar, E., Park, Noejung
Format:	Artikel
Sprache:	eng
Schlagworte:	Alloys Devices DFT Elastic constants Elastic properties Electronic properties Magnetic properties Magnetism Optical properties Orbitals Semiconductors Vacancies Zinc
Online-Zugang:	Volltext
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