Skip to main content

Europium‐Doped LaSi3N5 Ternary Nitride: Synthesis, Spectroscopy, Computed Electronic Structure and Band Gaps

Buy Article:

$48.00 plus tax (Refund Policy)


Europium‐doped LaSi3N5 phosphor synthesized from LaSi/Si/Si3N4/Eu2O3 mixture by direct nitridation at 1390°C and additional annealing at 1630°C for 3 h shows emissions in the green light region. With increasing europium content in the general formula La1‐z Eu z Si3N5‐z O1.5z from = 0.04 to 0.063 the emission intensity increases. The two maxima of the excitation band for the 6.3 mol% Eu‐doped LaSi3N5 are at ~4.0 and ~3.35 eV. First‐principles density‐functional theory (DFT) calculations are performed to enhance the understanding of the electronic structure of the stoichiometric LaSi3N5 and La/Eu and N/O substituted ternary nitrides. To mimic the realistic concentration of Eu and O the cell volume is expanded to the 2 × 1 × 2 super‐cell with 144 atoms. Electronic structure and band gaps are calculated using both the plain DFT and the hybrid functional. Three different doping schemes are investigated combining the La3+/Eu3+, La3+/□, La3+/Eu2+ substitutions in cation sites (□ = cation vacancy) and the N3−/O2− substitution in the framework. The La3+/Eu3+ substitution does not lead to a significant change of the gap. The La3+/Eu2+ substitution introduces a narrow band of Eu 4f‐states in the gap thus narrowing the band gap. The calculated value of ~3.23 eV by the hybrid functional is in reasonable agreement with experimental data.

Document Type: Research Article


Publication date: December 1, 2011


Access Key

Free Content
Free content
New Content
New content
Open Access Content
Open access content
Subscribed Content
Subscribed content
Free Trial Content
Free trial content
Cookie Policy
Cookie Policy
ingentaconnect website makes use of cookies so as to keep track of data that you have filled in. I am Happy with this Find out more