Title: Crystal structure, electronic properties and optical band gap of KLa(1−x)Eux(PO3)4
Abstract: Crystal structure, electronic properties and optical band gap energies for KLa(1−x)Eux(PO3)4 have been investigated. The KLa(PO3) belongs to P21 space group characterized by three-dimensional framework built of (PO3)n chains. The energy-band structure, density of states, chemical bonds, and the band gap energy of KLa(PO3)4 have been investigated by the Density Functional Theory (DFT) method. It has an insulator character with a direct band gap of about 5.11 eV. The experimental band gap energies of KLa(1−x)Eux(PO3)4 showed that the substitution between Eu3+ and La3+ influenced the distribution of the electronic structure and therefore determined the band gap energy.
Publication Year: 2014
Publication Date: 2014-05-02
Language: en
Type: article
Indexed In: ['crossref']
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Cited By Count: 12
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