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First-principles calculations on the electronic structure and optical properties of BaSi_2 被引量:4
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作者 ZHAO FengJuan XIE Quan +1 位作者 CHEN Qian YANG ChuangHua 《Science China(Physics,Mechanics & Astronomy)》 SCIE EI CAS 2009年第4期580-586,共7页
The electronic structure,densities of states and optical properties of the stable orthorhombic BaSi2 have been calculated using the first-principle density function theory and pseudopotential method. The results show ... The electronic structure,densities of states and optical properties of the stable orthorhombic BaSi2 have been calculated using the first-principle density function theory and pseudopotential method. The results show that BaSi2 is an indirect semiconductor with the band gap of 1.086 eV,the valence bands of BaSi2 are mainly composed of Si 3p,3s and Ba 5d,and the conduction bands are mainly composed of Ba 6s,5d as well as Si 3p. The static dielectric function ε1(0) is 11.17,the reflectivity n0 is 3.35,and the biggest peak of the absorption coefficient is 2.15×105 cm-1. 展开更多
关键词 basi_2 electronic structure optical properties FIRST-PRINCIPLES
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Er^(3+)共掺增强BaSi_(2)O_(2)N_(2)∶Eu^(2+)发光 被引量:2
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作者 刘雪晴 贺帅 +4 位作者 张亮亮 潘国徽 武华君 吴昊 张家骅 《发光学报》 EI CAS CSCD 北大核心 2021年第9期1323-1330,共8页
针对Er^(3+)共掺增强BaSi_(2)O_(2)N_(2)∶Eu^(2+)发光效果的内在差异和可能机理进行了研究。通过XRD测试展示了共掺下的晶体结构,分析确认了样品纯度以及生长差异;为进一步研究差异的来源,监控了不同价态掺杂离子的发射光谱,对随Er^(3+... 针对Er^(3+)共掺增强BaSi_(2)O_(2)N_(2)∶Eu^(2+)发光效果的内在差异和可能机理进行了研究。通过XRD测试展示了共掺下的晶体结构,分析确认了样品纯度以及生长差异;为进一步研究差异的来源,监控了不同价态掺杂离子的发射光谱,对随Er^(3+)含量变化的发射光谱规律性变化进行展示,进而分析得出Er^(3+)共掺增强发光的内部物理机理是控制择优取向和对价态进行定向竞争调节;从发光体应用场景的温度范围需求进行了温度特性测试,展示了温度变化下的发射光谱变化。这项研究为调控发光强度、提高量子效率的工作提供了新的思路。 展开更多
关键词 稀土发光材料 BaSi_(2)O_(2)N_(2)∶Eu^(2+)荧光粉 光致发光 热稳定性
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Thermoluminescence glow curve analysis and kinetic parameters of Dy-doped BaSi_(2)O_(5)phosphor 被引量:3
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作者 Y.Alajlani N.Can 《Journal of Rare Earths》 SCIE EI CAS CSCD 2022年第2期234-242,I0002,共10页
In this paper,Dy^(3+)incorporated BaSi_(2)O_(5)phosphors were synthesized by gel co mbustion method and characterized by X-ray diffraction(XRD).The effects of various heating rate s on thermoluminescence(TL)kinetics a... In this paper,Dy^(3+)incorporated BaSi_(2)O_(5)phosphors were synthesized by gel co mbustion method and characterized by X-ray diffraction(XRD).The effects of various heating rate s on thermoluminescence(TL)kinetics and glow peak temperatures of Dy^(3+)incorporated BaSi_(2)O_(5)phosphors exposed toβirradiation at room temperature were investigated.The glow curves of the phosphor exposed toβ-irradiation(0.1-100 Gy)consist of four main peaks located at 87,130,271,and 327℃and exhibit a good linearity between 0.1 and100 Gy.Three experimental techniques including variable heating rate(VHR),repeated initial rise(RIR),peak shape(PS)and computerized glow curve deconvolution(CGCD)were employed to determine TL kinetic parameters.Our findings indicate that the TL glow peaks of the phosphor obey first-order kinetics.Analysis of the main dosimetric peaks through the techniques mentio ned above indicates that activation energies(E)and pre-exponential factor(s)are in the range of 0.80-1.50 eV and 1.15×10^(8)-3.28×10^(13)s^(-1).Additionally,it is found that the temperature of the glow peaks shifts toward the higher temperatures and the TL intensity smoothly decreases as the heating rate increases.The effect on the TL intensities and glow peak temperatu res of the heating rate is discussed in terms of thermal quenching. 展开更多
关键词 BaSi_(2)O_(5) Dy^(3+) Gel combustion XRD THERMOLUMINESCENCE Kinetic parameters
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A comparison research on replacements of Ba^(2+)by Lu^(3+)and Ba^(2+)-Si^(4+)by Lu^(3+)-Al^(3+)in BaSi_(2)O_(2)N_(2):Eu phosphors 被引量:2
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作者 Di Wu Lili Liu +4 位作者 Huangbin Duan Junrong Wang Wanfang Zou Jiaqing Peng Xinyu Ye 《Journal of Rare Earths》 SCIE EI CAS CSCD 2022年第1期20-28,共9页
As a cyan-emitting oxonitridosilicate phosphor,BaSi_(2)O_(2)N_(2):Eu^(2+)can be used as a competent cyan compensator to improve the color rendering index of white light-emitting diodes(WLEDs).However,low luminescence ... As a cyan-emitting oxonitridosilicate phosphor,BaSi_(2)O_(2)N_(2):Eu^(2+)can be used as a competent cyan compensator to improve the color rendering index of white light-emitting diodes(WLEDs).However,low luminescence efficiency and poor thermal stability of this type of phosphor seriously suppress its actual application in full-spectrum lighting.The replacements of Ba^(2+)by Lu^(3+)and Ba^(2+)-Si^(4+)by Lu^(3+)-Al^(3+)can greatly increase the luminescence intensity and improve the thermal stability at the same time.With Lu^(3+)doping,the internal quantum efficiencyηIQE Ba_(0.925)Si_(2)O_(2)N_(2):0.03 Eu^(2+),0.045 Lu^(3+)is 24.08%higher than that of Ba_(0.97)Si_(2)O_(2)N_(2):0.03 Eu^(2+).After Al^(3+)co-doping,theηIQE is further increased by 10.31%compared to Ba_(0.925)Si_(2)O_(2)N_(2):0.03 Eu^(2+),0.045 Lu^(3+).When the temperature rises to 473 K,the luminescence intensity of Ba_(0.925)Si_(2)O_(2)N_(2):0.03 Eu^(2+),0.045 Lu^(3+)maintains 62.32%of that at room temperature,which increases by 17.35%in relative to the Ba_(0.97)Si_(2)O_(2)N_(2):0.03 Eu^(2+),while the luminescence intensity of Ba_(0.925)Si_(1.97)O_(2)N_(2):0.03 Eu^(2+),0.045 Lu^(3+),0.03 Al^(3+)keeps 73.87%of the initial value,which increases by18.52%compared to Ba_(0.925)Si_(2)O_(2)N_(2):0.03 Eu^(2+),0.045 Lu^(3+).The mechanisms for luminescence and thermal stability improvement are proposed.The Ba_(0.925)Si_(1.97)O_(2)N_(2):0.03 Eu^(2+),0.045 Lu^(3+),0.03 Al^(3+)cyan phosphor,Y3 Al5 O12:Ce3+yellow phosphor and CaAlSiN3:Eu^(2+)red phosphor are mixed thoroughly and coated on a blue LED(450 nm)to assemble a WLED.The WLED demonstrates a color rendering index(Ra)of 97.1 at150 mA,and the R1-R15 values are all above 90.The results indicate that as an effective cyan compensator in WLED,the BaSi_(2)O_(2)N_(2):Eu^(2+),Lu^(3+),Al^(3+)phosphor has great application prospect in the field of full-spectrum lighting. 展开更多
关键词 Full-spectrum lighting BaSi_(2)O_(2)N_(2) Luminescence efficiency Thermal stability Rare earths
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