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Calculations of Energy-Loss Function for 26 Materials
Yang Sun, Huan Xu, Bo Da, Shi-feng Mao, 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
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
中国科学技术大学物理系, 合肥微尺度物质科学国家实验室(筹), 合肥 230026
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: