Yang Sun, Huan Xu, Bo Da, Shi-feng Mao, Ze-jun Ding. Calculations of Energy-Loss Function for 26 Materials[J]. Chinese Journal of Chemical Physics , 2016, 29(6): 663-670. doi: 10.1063/1674-0068/29/cjcp1605110
Citation: Yang Sun, Huan Xu, Bo Da, Shi-feng Mao, Ze-jun Ding. Calculations of Energy-Loss Function for 26 Materials[J]. Chinese Journal of Chemical Physics , 2016, 29(6): 663-670. doi: 10.1063/1674-0068/29/cjcp1605110

Calculations of Energy-Loss Function for 26 Materials

doi: 10.1063/1674-0068/29/cjcp1605110
  • Received Date: 2016-05-16
  • Rev Recd Date: 2016-05-23
  • 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.
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Calculations of Energy-Loss Function for 26 Materials

doi: 10.1063/1674-0068/29/cjcp1605110

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.

Yang Sun, Huan Xu, Bo Da, Shi-feng Mao, Ze-jun Ding. Calculations of Energy-Loss Function for 26 Materials[J]. Chinese Journal of Chemical Physics , 2016, 29(6): 663-670. doi: 10.1063/1674-0068/29/cjcp1605110
Citation: Yang Sun, Huan Xu, Bo Da, Shi-feng Mao, Ze-jun Ding. Calculations of Energy-Loss Function for 26 Materials[J]. Chinese Journal of Chemical Physics , 2016, 29(6): 663-670. doi: 10.1063/1674-0068/29/cjcp1605110
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