Dependence of the electronic structure of β-Si.sub.6-z./sub.Al.sub.z./sub.O.sub.z./sub.N.sub.8-z./sub. on the (Al,O) concentration z and on the temperature

0564646 - FZÚ 2023 RIV DE eng J - Journal Article
Khan, S.A. - Šipr, Ondřej - Vackář, Jiří - Minár, J.
Dependence of the electronic structure of β-Si_6-zAl_zO_zN_8-z on the (Al,O) concentration z and on the temperature.
Zeitschrift für anorganische und allgemeine Chemie. Roč. 648, č. 21 (2022), č. článku e202200185. ISSN 0044-2313. E-ISSN 1521-3749
R&D Projects: GA ČR(CZ) GA20-18725S
Institutional support: RVO:68378271
Keywords : β-Si_6-zAl_zO_zN_8-z * LEDs * electronic structure * FLAPW * green function KKR method
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 1.4, year: 2022
Method of publishing: Limited access
https://doi.org/10.1002/zaac.202200185

β-Si6-zAlzOzN8-z is a prominent example of systems suitable as hosts for creating materials for light-emitting diodes (LEDs). In this work, the electronic structure of a series of semiordered and disordered β-Si6-zAlzOzN8-z systems is investigated by means of ab initio calculations, using the FLAPW and Green function KKR methods. Finite temperature effects are included by averaging over thermodynamic configurations within the alloy analogy model.
Permanent Link: https://hdl.handle.net/11104/0336303