The sodium expansion curves of semi-graphitic cathode measured with the improved Rapoport-Samoilenko apparatus. The and TiB2/C composite cathode with different TiB2 contents were mathematic model of the sodium expansi...The sodium expansion curves of semi-graphitic cathode measured with the improved Rapoport-Samoilenko apparatus. The and TiB2/C composite cathode with different TiB2 contents were mathematic model of the sodium expansion was deduced on the basis of the experimental results. The sodium expansion parameter （a） and penetration rate factor （Q）, were introduced into the model The model was validated with the experimental sodium expansion curves self-measured and reported. The results show that the variation tendency of the sodium expansion parameter （a） and penetration rate factor （Q） is consistent with that of the experimental curves. The model is capable of not only conveniently judging the cathode quality, but also favorably establishing a unified standard of the resistance to sodium penetration of cathode.展开更多
We report the electronic band structure and optical parameters of X-Phosphides （X=B, AI, Ga, In） by first-principles technique based on a new approximation known as modified Becke-Johnson （roB J）. This potential i...We report the electronic band structure and optical parameters of X-Phosphides （X=B, AI, Ga, In） by first-principles technique based on a new approximation known as modified Becke-Johnson （roB J）. This potential is considered more accurate in elaborating excited states properties of insulators and semiconductors as compared to LDA and GGA. The present calculated band gaps values of BP, AlP, GaP, and InP are 1.867 eV, 2.268 eV, 2.090 eV, and 1.377 eV respectively, which are in close agreement to the experimental results. The band gap values trend in this study is as： E9 （mBJ-GGA/LDA） 〉 E9 （GGA） 〉 Eg （LDA）. Optical parametric quantities （dielectric constant, refractive index, reflectivity and optical conductivity） which based on the band structure are aiso presented and discussed. BP, AlP, GaP, and InP have strong absorption in between the energy range 4-9 eV, 4-7 ev, 3-7 eV, and 2-7 eV respectively. Static dielectric constant, static refractive index and coefficient of reflectivity at zero frequency, within mBJ-GGA, are also calculated. BP, AIP, GaP, and InP show significant optical conductivity in the range 5.2-10 eV, 4.3-8 eV, 3.5- 7.2 eV, and 3.2-8 eV respectively. The present study endorses that the said compounds can be used in opto-electronic applications, for different energy ranges.展开更多
基金Project(2005CB623703) supported by the Major State Basic Research and Development Program of ChinaProject(2008AA030502) supported by the National High-Tech Research and Development Program of ChinaProject(GUIKEJI0639032) supported by the Science Fund Project of Guangxi Province, China
文摘The sodium expansion curves of semi-graphitic cathode measured with the improved Rapoport-Samoilenko apparatus. The and TiB2/C composite cathode with different TiB2 contents were mathematic model of the sodium expansion was deduced on the basis of the experimental results. The sodium expansion parameter （a） and penetration rate factor （Q）, were introduced into the model The model was validated with the experimental sodium expansion curves self-measured and reported. The results show that the variation tendency of the sodium expansion parameter （a） and penetration rate factor （Q） is consistent with that of the experimental curves. The model is capable of not only conveniently judging the cathode quality, but also favorably establishing a unified standard of the resistance to sodium penetration of cathode.
基金Supported by (Foreign Academic Visitor Grant) of Universiti Teknologi Malaysia (UTM) Skudai,Johor,Malaysia for the Grant No.JI3000077264D035
文摘We report the electronic band structure and optical parameters of X-Phosphides （X=B, AI, Ga, In） by first-principles technique based on a new approximation known as modified Becke-Johnson （roB J）. This potential is considered more accurate in elaborating excited states properties of insulators and semiconductors as compared to LDA and GGA. The present calculated band gaps values of BP, AlP, GaP, and InP are 1.867 eV, 2.268 eV, 2.090 eV, and 1.377 eV respectively, which are in close agreement to the experimental results. The band gap values trend in this study is as： E9 （mBJ-GGA/LDA） 〉 E9 （GGA） 〉 Eg （LDA）. Optical parametric quantities （dielectric constant, refractive index, reflectivity and optical conductivity） which based on the band structure are aiso presented and discussed. BP, AlP, GaP, and InP have strong absorption in between the energy range 4-9 eV, 4-7 ev, 3-7 eV, and 2-7 eV respectively. Static dielectric constant, static refractive index and coefficient of reflectivity at zero frequency, within mBJ-GGA, are also calculated. BP, AIP, GaP, and InP show significant optical conductivity in the range 5.2-10 eV, 4.3-8 eV, 3.5- 7.2 eV, and 3.2-8 eV respectively. The present study endorses that the said compounds can be used in opto-electronic applications, for different energy ranges.
