上海X射线晶体学基础讲习班刘泉林教案分析.ppt

G=H-TS Ga-Ga 熔点 302 K Ag-Ag 1235 K 低温有序，避开Ga与Ga之间直接接触。 Why to develop new phosphors for use in wLED ? We need better light source high luminous efficacy suitable CCT (correlated color temperature) high CRI (Color rendering index) We need excellent red/green phosphors which can be excited by blue light for fabricating better LED white-light source ( high luminous efficacy, low CCT, high CRI) Why to develop new phosphors for use in wLED ? Modifying luminescence of CaAlSiN3:Eu2+ (1113 phosphors) by O/N replacment Luminescence of CaAlSiN3:Eu2+ first reported by K. Uheda et al., Electrochem.Solid-state Lett. 9, H22 (2006) Preparation: by solid-state reaction using mixture of EuN, Ca3N2, AlN and Si3N4 PL spectra of CaAlSiN3:Eu2+ with various Eu content excited by 450 nm light Need blue-shift Why need to modify luminescence of CaAlSiN3:Eu2+? /~schubert/ A largely blue-shift of emission band by O substitution for N LIU QL et al., J. Lumin. 137, 173(2013) Photoluminescence of Ca z[AlSi]2N3-xOx:0.02Eu with various O content x How to arrange Oxygen in Lattice? atom site x y z Ca 4a 0 0.3494 0.9200 Al/Si 8b 0.1743 0.8512 0.9636 NI 8b 0.2269 0.8668 0.3284 NII 4a 0 0.2350 0.4082 Oxgen simultaneous replace NI or NII or only substitute for NI or NII ? Unfortunately Refinement of XRD by Rietvled method Does not work because O and N have almost same atomic scattering factor. XRD of CaAlSiN3-xOx:0.02Eu Sample with nominal compositions prepared by using raw material CaAl, CaO,CaSi, EuSi, AlN and Si3N4. XRD pattens of CaAlSiN3:Eu and CaAlSi（N,O)3:Eu Lattice parameters of CaAlSiN3-xOx:0.02Eu This phenomenon generally indicates that O preferentially occupy for some crystallographic positions. Si-N, Si-O, Al-N, and Al-O are 0.174, 0.164, 0.187, and 0.175nm, respectively. Crystal Structure of CaAlSiN3 A layer B layer N1 8b N2 4a Oxygen preferential substitutions for nitrogen in NII