Potential energies of LiS（^2∏）, LiS-（^1E＋） and LiS＋ （^3E-） are calculated by using the multi- reference configuration interaction method including Davidson correction and the augmented correlation-consistent ...Potential energies of LiS（^2∏）, LiS-（^1E＋） and LiS＋ （^3E-） are calculated by using the multi- reference configuration interaction method including Davidson correction and the augmented correlation-consistent basis sets aug-cc-PV（X＋d）Z （X=T, Q）. Such obtained potential energies are subsequently extrapolated to the complete basis set limit. Both the core-valence correction and the relativistic effect are also considered. The analytical potential energy functions are then obtained by fitting such accurate energies utilizing a least-squares fitting procedure. By using such analytical potential energy functions, we obtain the accurate spectroscopic parameters, complete set of vibrational levels and classical turning points. The present results are compared well with the experimental and other theoretical work.展开更多
Photoluminescence properties of highly p＋-doped GaASl_ySby are investigated. Band gap narrowing （BGN） effect is considered for heavily doped GaAs1_ySby epilayers. Band-gap Eg（GaAsl_ySby）=l.25y2-1.95y＋1.519 is ob...Photoluminescence properties of highly p＋-doped GaASl_ySby are investigated. Band gap narrowing （BGN） effect is considered for heavily doped GaAs1_ySby epilayers. Band-gap Eg（GaAsl_ySby）=l.25y2-1.95y＋1.519 is obtained through fitting band-gap energy obtained by PL spectra from 35 to 300 K. Fermi level （El） and full width at half maximum （FWHM） of photolumines- cence increase with antimony mole fraction. The increase of Fermi level is attributed to hole mass of GaAsl_ySby decrease which is resulted from antimony composition increase. The increase of Fermi level means that more electrons participate in in- direct transition to result in FWHM increases.展开更多
基金This work was supported by the National Natural Science Foundation of China （No.11304185）, Taishan scholar project of Shandong Province, China Postdoctoral Science Foundation （No.2014M561957）, and Post-doctoral Innovation Project of Shandong Province （No.201402013）, Shandong Provincial Natural Science Foundation （No.ZR2014AM022）. The authors gratefully acknowledge Dr. S. Li for useful discussion in this work.
文摘Potential energies of LiS（^2∏）, LiS-（^1E＋） and LiS＋ （^3E-） are calculated by using the multi- reference configuration interaction method including Davidson correction and the augmented correlation-consistent basis sets aug-cc-PV（X＋d）Z （X=T, Q）. Such obtained potential energies are subsequently extrapolated to the complete basis set limit. Both the core-valence correction and the relativistic effect are also considered. The analytical potential energy functions are then obtained by fitting such accurate energies utilizing a least-squares fitting procedure. By using such analytical potential energy functions, we obtain the accurate spectroscopic parameters, complete set of vibrational levels and classical turning points. The present results are compared well with the experimental and other theoretical work.
文摘Photoluminescence properties of highly p＋-doped GaASl_ySby are investigated. Band gap narrowing （BGN） effect is considered for heavily doped GaAs1_ySby epilayers. Band-gap Eg（GaAsl_ySby）=l.25y2-1.95y＋1.519 is obtained through fitting band-gap energy obtained by PL spectra from 35 to 300 K. Fermi level （El） and full width at half maximum （FWHM） of photolumines- cence increase with antimony mole fraction. The increase of Fermi level is attributed to hole mass of GaAsl_ySby decrease which is resulted from antimony composition increase. The increase of Fermi level means that more electrons participate in in- direct transition to result in FWHM increases.
