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Calculations of Energy-Loss Function for 26 Materials
Yang Sun,Huan Xu,Bo Da,Shi-feng Mao,Ze-jun Ding
Author NameAffiliationE-mail
Yang Sun Hefei National Laboratory for Physical Sciences at the Microscale and Department of Physics, University of Science and Technology of China, Hefei 230026, China  
Huan Xu Hefei National Laboratory for Physical Sciences at the Microscale and Department of Physics, University of Science and Technology of China, Hefei 230026, China  
Bo Da Hefei National Laboratory for Physical Sciences at the Microscale and Department of Physics, University of Science and Technology of China, Hefei 230026, China  
Shi-feng Mao Hefei National Laboratory for Physical Sciences at the Microscale and Department of Physics, University of Science and Technology of China, Hefei 230026, China  
Ze-jun Ding Hefei National Laboratory for Physical Sciences at the Microscale and Department of Physics, University of Science and Technology of China, Hefei 230026, China zjding@ustc.edu.cn 
Abstract:
We present a fitting calculation of energy-loss function for 26 bulk materials, including 18 pure elements (Ag, Al, Au, C, Co, Cs, Cu, Er, Fe, Ge, Mg, Mo, Nb, Ni, Pd, Pt, Si, Te) and 8 compounds (AgCl, Al2O3, AlAs, CdS, SiO2, ZnS, ZnSe, ZnTe) for application to surface electron spectroscopy analysis. The experimental energy-loss function, which is derived from measured optical data, is fitted into a finite sum of formula based on the Drude-Lindhard dielectric model. By checking the oscillator strength-sum and perfectscreening-sum rules, we have validated the high accuracy of the fitting results. Furthermore, based on the fitted parameters, the simulated reflection electron energy-loss spectroscopy (REELS) spectrum shows a good agreement with experiment. The calculated fitting parameters of energy loss function are stored in an open and online database at http://micro.ustc.edu.cn/ELF/ELF.html.
Key words:  Energy loss function  Dielectric function  Optical data
FundProject:
26种材料能量损失函数的计算研究
孙阳,徐欢,达博,毛世峰,丁泽军
摘要:
计算拟合了26种块体材料的能量损失函数,包括18种单质材料(Ag、Al、Au、C、Co、Cs、Cu、Er、Fe、Ge、Mg、Mo、Nb、Ni、Pd、Pt、Si、Te)和8种化合物(AgCl、Al2O3、AlAs、CdS、SiO2、ZnS、ZnSe、ZnTe).基于Drude-Lindhard模型,将实验测得的能量损失函数拟合为有限个解析函数,通过求和规则验证了拟合结果的准确性.基于拟合结果,模拟了反射电子能量损失谱,模拟结果与实验结果一致.所有材料能量损失函数的拟合参数均在线公开,地址为http://micro.ustc.edu.cn/ELF/ELF.html.
关键词:  能量损失函数  介电函数  光学常数
DOI:10.1063/1674-0068/29/cjcp1605110
分类号: