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    • Structural and electronic properties of β-NaYF4 and β-NaYF4:Ce3+ 

      Platonenko, Aleksandr; Popov, Anatoli (Elsevier B.V., 2020)
      In this work, the density functional theory approach with linear combination of atomic orbitals (LCAO) as implemented in the CRYSTAL17 computer code is applied to hexagonal β-NaYF4, located in three possible space groups ...