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中国计量大学 光学与电子科技学院, 浙江 杭州 310018
[ "胡翔宇(1995-),男,四川成都人,硕士研究生,2018年于西南科技大学获得学士学位,主要从事长波长发光材料的第一性原理计算研究。Email: 601115465@qq.com" ]
[ "邾强强( 1988-),男,安徽芜湖人,博士,副研究员, 2016 年于中国科学技术大学获得博士学位,主要从事新型照明显示材料及器件的研究。 " ]
[ "王乐( 198 1-),女,河南驻马店人,博士,教授,硕士生导师, 2012 年于浙江大学获得博士学位,主要从事发光材料与器件、新型照明与显示技术、光谱分析与测试仪器的研究。 " ]
收稿日期:2022-03-25,
修回日期:2022-04-04,
纸质出版日期:2022-07-05
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胡翔宇,邾强强,翟玥等.Ce3+掺杂Y‐Si‐O‐N体系荧光材料晶体及能带/电子结构对其发光特性的影响[J].发光学报,2022,43(07):1061-1069.
HU Xiang-yu,ZHU Qiang-qiang,ZHAI Yue,et al.Effect of Crystal and Band/Electronic Structures on Luminescence Property of Ce3+ Doped Y-Si-O-N Luminescent Materials[J].Chinese Journal of Luminescence,2022,43(07):1061-1069.
胡翔宇,邾强强,翟玥等.Ce3+掺杂Y‐Si‐O‐N体系荧光材料晶体及能带/电子结构对其发光特性的影响[J].发光学报,2022,43(07):1061-1069. DOI: 10.37188/CJL.20220105.
HU Xiang-yu,ZHU Qiang-qiang,ZHAI Yue,et al.Effect of Crystal and Band/Electronic Structures on Luminescence Property of Ce3+ Doped Y-Si-O-N Luminescent Materials[J].Chinese Journal of Luminescence,2022,43(07):1061-1069. DOI: 10.37188/CJL.20220105.
当前白光LED主要通过采用蓝光芯片激发黄色发光YAG∶Ce
3+
来实现,由于光谱中缺少足够的红光成分,光源通常存在显色性能较差的问题。因此,长波荧光材料(
>
600 nm)的应用对于高品质白光LED照明的实现尤为重要。为了进一步掌握配位结构对Ce
3+
能带/电子结构的影响规律,指导Ce
3+
离子掺杂长波荧光材料的设计研发,本文通过第一性原理计算,利用广义梯度近似(GGA)中密度泛函理论(DFT)深入研究了Y‐Si‐N‐O体系荧光材料Y
2
Si
3
N
4
O
3
∶Ce
3+
、Y
4
Si
2
N
2
O
7
∶Ce
3+
和Y
3
Si
5
N
9
O∶Ce
3+
的晶体及能带/电子结构特性,并结合实验测试结果对晶体及能带/电子结构与Ce
3+
发光特性之间的内在关系进行分析。研究结果表明,针对Ce
3+
离子掺杂长波荧光材料的设计研发,可以重点对具有高含N量、短Ce—N配位键、低对称性配位结构特性的氧氮化物材料进行筛选。
Currently, the use of a blue LED chip in conjunction with the yellow-emitting YAG∶Ce
3+
phosphor is recognized as the main approach for achieving high-brightness white light. However, due to the spectrum defect of the long-wavelength component, this approach has resulted in a poor color rendering performance of LED lighting devices. Thus, the luminescent materials with long-wavelength emission(
>
600 nm) are very important for high quality LED lighting devices. In order to develop Ce
3+
doped luminescent materials with long-wavelength emission, the effect of coordination structure on the band/electronic structures of Ce
3+
needs to be further studied. In this paper, based on the first-principles calculation, the crystal and band/electronic structures of Y
2
Si
3
N
4
O
3
∶Ce
3+
, Y
4
Si
2
N
2
O
7
∶Ce
3+
, and Y
3
Si
5
N
9
O∶Ce
3+
luminescent materials in Y-Si-O-N system were studied by using the density-functional theory(DFT) of the generalized gradient approximation(GGA). To understand the relationship between band/electronic structures and the luminescence properties of Ce
3+
, the emission and excitation spectra of these luminescent materials were also studied. According to the research conclusions, the oxynitride structures with higher nitrogen content, shorter Ce—N bond lengths, and lower point symmetry coordination structure are suitable for the development of Ce
3+
doped luminescent materials willing to achieve long-wavelength emission.
LI L Y , PENG M Y , VIANA B , et al . Unusual concentration induced antithermal quenching of the Bi 2+ emission from Sr 2 P 2 O 7 ∶Bi 2+ [J]. Inorg. Chem. , 2015 , 54 ( 12 ): 6028 - 6034 . doi: 10.1021/acs.inorgchem.5b00887 http://dx.doi.org/10.1021/acs.inorgchem.5b00887
OH J H , KANG H , EO Y J , et al . Synthesis of narrow-band red-emitting K 2 SiF 6 ∶Mn 4+ phosphors for a deep red monochromatic LED and ultrahigh color quality warm-white LEDs [J]. J. Mater. Chem. C , 2015 , 3 ( 3 ): 607 - 615 . doi: 10.1039/c4tc02042a http://dx.doi.org/10.1039/c4tc02042a
SCHMIECHEN S , STROBEL P , HECHT C , et al . Nitridomagnesosilicate Ba[Mg 3 SiN 4 ]∶Eu 2+ and structure-property relations of similar narrow-band red nitride phosphors [J]. Chem. Mater. , 2015 , 27 ( 5 ): 1780 - 1785 . doi: 10.1021/cm504604d http://dx.doi.org/10.1021/cm504604d
付作岭 , 付喜宏 , 孙桂娟 . 白光LED用红色荧光粉CaSnO 3 ∶Eu 3+ 的制备及光学性质 [J]. 发光学报 , 2011 , 32 ( 7 ): 660 - 664 . doi: 10.3788/fgxb20113207.0660 http://dx.doi.org/10.3788/fgxb20113207.0660
FU Z L , FU X H , SUN G J . Preparation and optical properties of red emitting phosphor CaSnO 3 ∶Eu 3+ for white LED [J]. Chin. J. Lumin. , 2011 , 32 ( 7 ): 660 - 664 . (in Chinese) . doi: 10.3788/fgxb20113207.0660 http://dx.doi.org/10.3788/fgxb20113207.0660
BAI X , CAPUTO G , HAO Z D , et al . Efficient and tuneable photoluminescent boehmite hybrid nanoplates lacking metal activator centres for single-phase white LEDs [J]. Nat. Commun. , 2014 , 5 ( 1 ): 5702-1-8 . doi: 10.1038/ncomms6702 http://dx.doi.org/10.1038/ncomms6702
WANG L , ZHANG X , HAO Z D , et al . Enriching red emission of Y 3 Al 5 O 12 ∶Ce 3+ by codoping Pr 3+ and Cr 3+ for improving color rendering of white LEDs [J]. Opt. Express , 2010 , 18 ( 24 ): 25177 - 25182 . doi: 10.1364/oe.18.025177 http://dx.doi.org/10.1364/oe.18.025177
LI Y Q , DELSING A C A , DE WITH G , et al . Luminescence properties of Eu 2+ -activated alkaline-earth silicon-oxynitride M Si 2 O 2- δ N 2+2/3 δ ( M = Ca,Sr,Ba):a promising class of novel LED conversion phosphors [J]. Chem. Mater. , 2005 , 17 ( 12 ): 3242 - 3248 . doi: 10.1021/cm050175d http://dx.doi.org/10.1021/cm050175d
LIDDELL K , THOMPSON D P . The crystal structure of Y 3 Si 5 N 9 O and revision of the compositions of some high nitrogen-containing M ⁃Si⁃O⁃N ( M = Y,La) phases [J]. J. Mater. Chem. , 2001 , 11 ( 2 ): 507 - 512 . doi: 10.1039/b006053o http://dx.doi.org/10.1039/b006053o
KIM D , JI C W , LEE J , et al . Highly luminous N 3– -substituted Li 2 M SiO 4- δ N 2/3 δ ∶Eu 2+ ( M = Ca,Sr,and Ba) for white NUV light-emitting diodes [J]. ACS Omega , 2019 , 4 ( 5 ): 8431 - 8440 . doi: 10.1021/acsomega.8b03489 http://dx.doi.org/10.1021/acsomega.8b03489
XU H B , ZHUANG W D , WANG L , et al . Synthesis and photoluminescence properties of a blue-emitting La 3 Si 8 N 11 O 4 ∶Eu 2+ phosphor [J]. Inorg. Chem. , 2017 , 56 ( 22 ): 14170 - 14177 . doi: 10.1021/acs.inorgchem.7b02310 http://dx.doi.org/10.1021/acs.inorgchem.7b02310
HIROSAKI N , XIE R J , KIMOTO K , et al . Characterization and properties of green-emitting β -SiAlON∶Eu 2+ powder phosphors for white light-emitting diodes [J]. Appl. Phys. Lett. , 2005 , 86 ( 21 ): 211905-1-3 . doi: 10.1063/1.1935027 http://dx.doi.org/10.1063/1.1935027
WANG L , WEI R , ZHENG P , et al . Realizing high-brightness and ultra-wide-color-gamut laser-driven backlighting by using laminated phosphor-in-glass (PiG) films [J]. J. Mater. Chem. C , 2020 , 8 ( 5 ): 1746 - 1754 . doi: 10.1039/c9tc05807a http://dx.doi.org/10.1039/c9tc05807a
UHEDA K , HIROSAKI N , YAMAMOTO Y , et al . Luminescence properties of a red phosphor,CaAlSiN 3 ∶Eu 2+ ,for white light-emitting diodes [J]. Electrochem. Solid‐State Lett. , 2006 , 9 ( 4 ): H22 - H25 . doi: 10.1149/1.2173192 http://dx.doi.org/10.1149/1.2173192
ZHU Q Q , WANG L , HIROSAKI N , et al . Extra-broad band orange‐emitting Ce 3+ ‐doped Y 3 Si 5 N 9 O phosphor for solid-state lighting:electronic,crystal structures and luminescence properties [J]. Chem. Mater. , 2016 , 28 ( 13 ): 4829 - 4839 . doi: 10.1021/acs.chemmater.6b02109 http://dx.doi.org/10.1021/acs.chemmater.6b02109
LU F C , CHEN X Y , WANG M W , et al . Crystal structure and photoluminescence of (Y 1- x Ce x ) 2 Si 3 O 3 N 4 [J]. J. Lumin. , 2011 , 131 ( 2 ): 336 - 341 . doi: 10.1016/j.jlumin.2010.10.032 http://dx.doi.org/10.1016/j.jlumin.2010.10.032
GENG D L , LI K , LIAN H Z , et al . Color-tunable luminescence of Y 4 Si 2 N 2 O 7 ∶Ce 3+ ,Tb 3+ ,Dy 3+ phosphors prepared by the soft-chemical ammonolysis method [J]. Eur. J. Inorg. Chem. , 2014 , 2014( 11 ): 1955 - 1964 . doi: 10.1002/ejic.201400001 http://dx.doi.org/10.1002/ejic.201400001
JIANG H . Band gaps from the Tran-Blaha modified Becke-Johnson approach:a systematic investigation [J]. J. Chem. Phys. , 2013 , 138 ( 13 ): 134115-1-7 . doi: 10.1063/1.4798706 http://dx.doi.org/10.1063/1.4798706
KRESSE G , FURTHMÜLLER J . Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set [J]. Phys. Rev. B , 1996 , 54 ( 16 ): 11169 - 11186 . doi: 10.1103/physrevb.54.11169 http://dx.doi.org/10.1103/physrevb.54.11169
ANISIMOV V I , ARYASETIAWAN F , LICHTENSTEIN A I . First-principles calculations of the electronic structure and spectra of strongly correlated systems:the LDA+ U method [J]. J. Phys.:Condens. Matter , 1997 , 9 ( 4 ): 767 - 808 . doi: 10.1088/0953-8984/9/4/002 http://dx.doi.org/10.1088/0953-8984/9/4/002
MA Y Y , XIAO F , YE S , et al . Effects of Ce 3+ and NH 4 Cl on structural and luminescent properties of Y 2 Si 3 O 3 N 4 ∶Ce phosphors [J]. J. Electrochem. Soc. , 2011 , 159 ( 3 ): J39 - J42 . doi: 10.1149/2.002203jes http://dx.doi.org/10.1149/2.002203jes
黄敏航 , 邾强强 , 孟遥 , 等 . 激光照明用La 3 Si 6 N 11 ∶Ce 3+ 荧光玻璃薄膜合成及其性能调控 [J]. 发光学报 , 2021 , 42 ( 10 ): 1482 - 1492 . doi: 10.37188/cjl.20210076 http://dx.doi.org/10.37188/cjl.20210076
HUANG M H , ZHU Q Q , MENG Y , et al . Synthesis and performance of La 3 Si 6 N 11 ∶Ce 3+ phosphor-in-glass films for laser lighting applications [J]. Chin. J. Lumin. , 2021 , 42 ( 10 ): 1482 - 1492 . (in Chinese) . doi: 10.37188/cjl.20210076 http://dx.doi.org/10.37188/cjl.20210076
HUANG X X , SUN J C , WEN J , et al . Site occupation and spectroscopic properties of Ce 3+ in Y 3 Si 5 N 9 O from first-principles calculations [J]. J. Alloys Compd. , 2018 , 730 : 57 - 61 . doi: 10.1016/j.jallcom.2017.09.287 http://dx.doi.org/10.1016/j.jallcom.2017.09.287
XU Y N , RULIS P , CHING W Y . Electronic structure and bonding in quaternary crystal Y 3 Si 5 N 9 O [J]. Phys. Rev. B , 2005 , 72 ( 11 ): 113101 . doi: 10.1103/physrevb.72.113101 http://dx.doi.org/10.1103/physrevb.72.113101
ZHU Q Q , HAO L Y , XU X , et al . A novel solid-state synthesis of long afterglow,Si‐N co‐doped,Y 3 Al 5 O 12 ∶Ce 3+ phosphor [J]. J. Lumin. , 2016 , 172 : 270 - 274 . doi: 10.1016/j.jlumin.2015.12.030 http://dx.doi.org/10.1016/j.jlumin.2015.12.030
BIERNACKI S W , KAMIŃSKA A , SUCHOCKI A , et al . Nephelauxetic effect in LiNbO 3 ∶Cr 3+ crystals [J]. Appl. Phys. Lett. , 2002 , 81 ( 3 ): 442 - 444 . doi: 10.1063/1.1493225 http://dx.doi.org/10.1063/1.1493225
SCHUH C D , HAENNI D , CRAIGIE E , et al . Long wavelength multiphoton excitation is advantageous for intravital kidney imaging [J]. Kidney Int. , 2016 , 89 ( 3 ): 712 - 719 . doi: 10.1038/ki.2015.323 http://dx.doi.org/10.1038/ki.2015.323
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