首页|La1-xCaxAl1-yByO3-δ(B=Mn/Ni)的红外辐射性能测试与模拟

La1-xCaxAl1-yByO3-δ(B=Mn/Ni)的红外辐射性能测试与模拟

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采用溶胶凝胶法制备了 Ca/Mn/Ni掺杂LaAlO3,借助X射线衍射(XRD),X射线光电子能谱(XPS)以及红外辐射(IR)研究了其红外发射性能及改变机理,同时运用CASTEP模拟了其电子能带结构.研究结果表明:掺杂样品相比LaAlO3在近红外波段发射率都有较大提升,La0.67Ca0.33Al0.67Ni0.33O3-δ在0.2~2.5 μm段的发射率可达0.9527.提升的机制为:掺Ca-Ni后形成了大量小极化子Ni2+↔Ni3+,且电子-氧空位的浓度增加,进而促进了自由载流子吸收;同时,掺Ca-Ni时,晶体发生了较大畸变,为1.42× 10-3(LaAlO3为3.65×10-4),强化了振动吸收.La0.67Ca0.33Al0.67Ni0.33O3-δ带隙最小,为0.334 eV(LaAlO3的为3.445 eV).小带隙有利于价带电子跃迁,进而产生更多的电子-氧空位对,促进自由载流子吸收.La0.67Ca0.33Al0.67Ni0.33O3-δ导带向低能区转移并出现了杂质能级Ni 3d,因此带隙减小.得益于带隙的减小,La0.67Ca0.33Al0.67Ni0.33O3-δ介电函数虚部峰以及吸收系数峰均红移.
Measurements and Simulation of Infrared Radiation Performance of LaAl0.67B0.33O3-δ(B=Mn/Ni)
Ca/Mn/Ni doped LaAlO3 was prepared by sol-gel method,and its infrared emission properties and change mechanism were investigated via XRD,XPS and IR,and its electronic energy band structure was simulated by CASTEP.It is concluded that the emissivity of LaAlO3 doped samples is enhanced in the near-infrared band,and the emissivity of La0.67Ca0.33Al0.67Ni0.33O3-δ in the 0.2-2.5 μm band is up to 0.9527.The mechanism of enhancement is that a large number of small polaritons Ni2+↔Ni3+are formed after Ca-Ni doping,and the concentration of electron-oxygen vacancies increases,which in turn promotes free carrier absorption;meanwhile,the doping of Ca-Ni results in a large distortion of the crystal,1.42 × 10-3(3.65 × 10-4 for LaAlO3),which intensifies the vibrational absorption.The minimum band gap of La0.67Ca0.33Al0.67Ni0.33O3.a is 0.334 eV(3.445 eV for LaAlO3).The small band gap facilitates the valence band electron leap,which in turn generates more electron-oxygen vacancy pairs and promotes the free carrier absorption.The band gap decreases as the conduction band of La0.67Ca033Al0.67Ni0.33O3-δ shifts to the lower energy region and the impurity energy level Ni 3d appears.The La0.67Ca0.33Al0.67Ni0.33O3-δ dielectric function peak and absorption coefficient peak are red-shifted thanks to the reduction of band gap.

Ca-Mn/Ni dopingLaAlO3infrared emissivityimproving mechanismCASTEP

张祖庆、符亲武、程华金、刘庆生

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江西理工大学材料冶金化学学部冶金工程学院,江西赣州 341000

Ca-Mn/Ni掺杂 LaAlO3 红外发射率 提升机理 CASTEP

2024

中国稀土学报
中国稀土学会 北京有色金属研究总院

中国稀土学报

CSTPCD北大核心
影响因子:1.175
ISSN:1000-4343
年,卷(期):2024.42(6)