First-principles calculation of muons in ionic fluorides has been proposed recently.However,there is a considerable difference between the obtained F-μbond length and the experimental data obtained by muon spin relax...First-principles calculation of muons in ionic fluorides has been proposed recently.However,there is a considerable difference between the obtained F-μbond length and the experimental data obtained by muon spin relaxation(μSR).Considering that the difference may be caused by ignoring the quantum effect of muons,we use two-component density functional theory(TCDFT)to consider the quantized muon and recalculate the bond length and theμSR depolarization spectrum.After testing several muon-electron correlation,we show that TCDFT can give better results than the commonly used“DFT+μ”.展开更多
For the proper interpretation of the experimental data produced in slow positron beam technique, the positron implantation properties are studied carefully using the latest Geant4 code. The simulated backscattering co...For the proper interpretation of the experimental data produced in slow positron beam technique, the positron implantation properties are studied carefully using the latest Geant4 code. The simulated backscattering coefficients, the implantation profiles, and the median implantation depths for mono-energetic positrons with energy range from 1 keV to 50 keV normally incident on different crystals are reported. Compared with the previous experimental results, our simulation backscattering coefficients are in reasonable agreement, and we think that the accuracy may be related to the structures of the host materials in the Geant4 code. Based on the reasonable simulated backscattering coefficients, the adjustable parameters of the implantation profiles which are dependent on materials and implantation energies are obtained. The most important point is that we calculate the positron backscattering coefficients and median implantation depths in amorphous polymers for the first time and our simulations are in fairly good agreement with the previous experimental results.展开更多
基金financially supported by the National Natural Science Foundation of China(Grant No.12005221)。
文摘First-principles calculation of muons in ionic fluorides has been proposed recently.However,there is a considerable difference between the obtained F-μbond length and the experimental data obtained by muon spin relaxation(μSR).Considering that the difference may be caused by ignoring the quantum effect of muons,we use two-component density functional theory(TCDFT)to consider the quantized muon and recalculate the bond length and theμSR depolarization spectrum.After testing several muon-electron correlation,we show that TCDFT can give better results than the commonly used“DFT+μ”.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11175171 and 11105139)
文摘For the proper interpretation of the experimental data produced in slow positron beam technique, the positron implantation properties are studied carefully using the latest Geant4 code. The simulated backscattering coefficients, the implantation profiles, and the median implantation depths for mono-energetic positrons with energy range from 1 keV to 50 keV normally incident on different crystals are reported. Compared with the previous experimental results, our simulation backscattering coefficients are in reasonable agreement, and we think that the accuracy may be related to the structures of the host materials in the Geant4 code. Based on the reasonable simulated backscattering coefficients, the adjustable parameters of the implantation profiles which are dependent on materials and implantation energies are obtained. The most important point is that we calculate the positron backscattering coefficients and median implantation depths in amorphous polymers for the first time and our simulations are in fairly good agreement with the previous experimental results.
