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Density functional theory calculations for formation energies and structural characteristics of La or Gd doped Bi2WO6 systems

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By using first-principles calculations based on density functional theory, we investigate the doping effect of rare-earth elements (La and Gd) in Bismuth tungstate Bi2WO6 on structural characteristics. | Density functional theory calculations for formation energies and structural characteristics of La or Gd doped Bi2WO6 systems