First-principles calculations of rare earth (RE=Tm, Yb, Ce) doped ZnO: Structural, optoelectronic, magnetic, and electrical properties

Mohamed Khuili; Nejma Fazouan; Hassna Abou El Makarim; El Houssine Atmani; P. Raics; M. Houmad

doi:10.1016/j.vacuum.2020.109603

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First-principles calculations of rare earth (RE=Tm, Yb, Ce) doped ZnO: Structural, optoelectronic, magnetic, and electrical properties

Mohamed Khuili Nejma Fazouan Hassna Abou El Makarim El Houssine Atmani P. Raics M. Houmad

Year: 2020 Journal: Vacuum Vol: 181 Pages: 109603-109603 Publisher: Elsevier BV

DOI: 10.1016/j.vacuum.2020.109603

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Keywords:

Wurtzite crystal structure WIEN2k Doping Materials science Spintronics Density functional theory Band gap Optoelectronics Fermi level Condensed matter physics Electronic band structure Electronic structure Electron Ferromagnetism Local-density approximation Chemistry Computational chemistry Zinc Physics

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ZnO doping and properties

Physical Sciences → Materials Science → Materials Chemistry

Copper-based nanomaterials and applications

Physical Sciences → Materials Science → Materials Chemistry

Electronic and Structural Properties of Oxides

Physical Sciences → Materials Science → Materials Chemistry

First-principles calculations of rare earth (RE=Tm, Yb, Ce) doped ZnO: Structural, optoelectronic, magnetic, and electrical properties

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