Monte Carlo simulation of paths of a large number of impinging electrons in a multi-layered solid allows defining area of spreading electrons (A) to capture overall behavior of the solid. This parameter “A” follows ...Monte Carlo simulation of paths of a large number of impinging electrons in a multi-layered solid allows defining area of spreading electrons (A) to capture overall behavior of the solid. This parameter “A” follows power law with electron energy. Furthermore, change in critical energies, which are minimum energies loses corresponding to various electrons, as a function of variation in lateral distance also follows power law nature. This power law behavior could be an indicator of how strong self-organization a solid has which may be used in monitoring efficiency of device fabrication.展开更多
The electronic structure and thermoelectric（TE） properties of PbS_xTe_（1-x）（x = 0.25, 0.5, and 0.75） solid solution have been studied by combining the first-principles calculations and semi-classical Boltzmann t...The electronic structure and thermoelectric（TE） properties of PbS_xTe_（1-x）（x = 0.25, 0.5, and 0.75） solid solution have been studied by combining the first-principles calculations and semi-classical Boltzmann theory. The special quasirandom structure（SQS） method is used to model the solid solutions of PbS_xTe_（1-x）, which can produce reasonable electronic structures with respect to experimental results. The maximum zT value can reach 1.67 for p-type PbS0.75Te0.25 and 1.30 for PbS0.5Te0.5 at 800 K, respectively. The performance of p-type PbS_xTe_（1-x） is superior to the n-type ones, mainly attributed to the higher effective mass of the carriers. The z T values for PbS_xTe_（1-x） solid solutions are higher than that of pure Pb Te and Pb S, in which the combination of low thermal conductivity and high power factor play important roles.展开更多
The electronic structure and thermoelectric（TE） properties of Mg2GexSn1-x（x = 0.25, 0.50, 0.75） solid solutions are investigated by first-principles calculations and semi-classical Boltzmann theory. The special qu...The electronic structure and thermoelectric（TE） properties of Mg2GexSn1-x（x = 0.25, 0.50, 0.75） solid solutions are investigated by first-principles calculations and semi-classical Boltzmann theory. The special quasi-random structure（SQS） is used to model the solid solutions, which can produce reasonable band gaps with respect to experimental results.The n-type solid solutions have an excellent thermoelectric performance with maximum zT values exceeding 2.0, where the combination of low lattice thermal conductivity and high power factor（PF） plays an important role. These values are higher than those of pure Mg2Sn and Mg2Ge. The p-type solid solutions are inferior to the n-type ones, mainly due to the much lower PF. The maximum zT value of 0.62 is predicted for p-type Mg2Ge（0.25）Sn（0.75） at 800K. The results suggest that the n-type Mg2GexSn1-x solid solutions are promising mid-temperature TE materials.展开更多
This paper utilizes the brightness-voltage waveform curve to investigate the primary electron in solid state cathodoluminescence. The results indicate that the primary electron is from the interface state of SiO2/MEH-...This paper utilizes the brightness-voltage waveform curve to investigate the primary electron in solid state cathodoluminescence. The results indicate that the primary electron is from the interface state of SiO2/MEH-PPV （Poly[2- methoxy-5-（2-ethylhexyloxy）-1,4-phenylenevinylene]） under the lower electric field which contributes to the 580-nm emission. With increasing the electric field, the 405-nm emission is obtained, and under this condition, the origin of the primary electron is mainly from tunneling.展开更多
To fabricate electronic packaging shell of coppermatrix composite with characteristics of high ther mal conductivity and low thermal expansion coefficient, semisolid forming technology, and powder metallurgy was combi...To fabricate electronic packaging shell of coppermatrix composite with characteristics of high ther mal conductivity and low thermal expansion coefficient, semisolid forming technology, and powder metallurgy was combined. Conventional mechanical mixing of Cu and SiC could have insufficient wettability, and a new method of semisolid processing was introduced for billets preparation. The SiC/Cu composites were first prepared by PM, and then, semisolid reheating was performed for the successive semisolid forging. Composite billets with SiC 35 % vol ume fraction were compacted and sintered pressurelessly, microstructure analysis showed that the composites pre pared by PM had high density, and the combination between SiC particles and Cualloy was good. Semisolid reheating was the crucial factor in determining the micro structure and thixotropic property of the billet. An opti mised reheating strategy was proposed： temperature 1,025 ℃and holding time 5 min.展开更多
In the present paper, the inelastic mean free path （IMFP） of incident electrons is calculated as a function of energy for silicon （Si）, oxides of silicon （SiO2）, SiO, and A1203 in bulk form by employing atomic/m...In the present paper, the inelastic mean free path （IMFP） of incident electrons is calculated as a function of energy for silicon （Si）, oxides of silicon （SiO2）, SiO, and A1203 in bulk form by employing atomic/molecular inelastic cross sections derived by using a semi-empirical quantum mechanical method developed earlier. A general agreement of the present results is found with most of the available data. It is of great importance that we have been able to estimate the minimum IMFP, which corresponds to the peak of inelastic interactions of incident electrons in each solid investigated. New results are presented for SiO, for which no comparison is available. The present work is important in view of the lack of experimental data on the IMFP in solids.展开更多
Single crystal of Ba2SbGaSs has been synthesized by the high temperature solidstate reaction method. The compound crystallizes in the orthorhombic space group Pnma with a = 12.177（4）, b = 8.880（3）, c = 8.982（3） ...Single crystal of Ba2SbGaSs has been synthesized by the high temperature solidstate reaction method. The compound crystallizes in the orthorhombic space group Pnma with a = 12.177（4）, b = 8.880（3）, c = 8.982（3） A, V= 971.4（6） A3, Z = 4, De = 4.284 g/cm3,μ = 14.487 mm-1, F（000） - 1096, the final R = 0.0171 and wR = 0.0384 for all data. The structure comprises an infinite one-dimensional 1∞[SbGaS5]4- anionic chain constructed from the GaS4 tetrahedra and the SbS5 polyhedra via sharing edge alternately. The paralleled 1∞[SbGaS5]4anionic chains engage with each other and form the two-dimensional Sb-Ga-S layer perpendicular to a-axis with the isolated Ba2＋ cations arranged between layers. The IR spectrum and the UV-Vis spectrum have been investigated. Also, the first-principles band structure and density of states calculations indicate that the compound belongs to indirect semiconductor with the band gap of 2.1 eV, which is supported by the UV-Vis diffuse reflectance results.展开更多
文摘Monte Carlo simulation of paths of a large number of impinging electrons in a multi-layered solid allows defining area of spreading electrons (A) to capture overall behavior of the solid. This parameter “A” follows power law with electron energy. Furthermore, change in critical energies, which are minimum energies loses corresponding to various electrons, as a function of variation in lateral distance also follows power law nature. This power law behavior could be an indicator of how strong self-organization a solid has which may be used in monitoring efficiency of device fabrication.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11647010 and 11704020)the Higher Education and High-quality and World-class Universities(Grant No.PY201611)the Fund for Disciplines Construction from Beijing University of Chemical Technology(Grant No.XK1702)
文摘The electronic structure and thermoelectric（TE） properties of PbS_xTe_（1-x）（x = 0.25, 0.5, and 0.75） solid solution have been studied by combining the first-principles calculations and semi-classical Boltzmann theory. The special quasirandom structure（SQS） method is used to model the solid solutions of PbS_xTe_（1-x）, which can produce reasonable electronic structures with respect to experimental results. The maximum zT value can reach 1.67 for p-type PbS0.75Te0.25 and 1.30 for PbS0.5Te0.5 at 800 K, respectively. The performance of p-type PbS_xTe_（1-x） is superior to the n-type ones, mainly attributed to the higher effective mass of the carriers. The z T values for PbS_xTe_（1-x） solid solutions are higher than that of pure Pb Te and Pb S, in which the combination of low thermal conductivity and high power factor play important roles.
基金supported by the National Natural Science Foundation of China(Grant No.11647010)the Foundation from the Higher Education and High-quality and World-class Universities(Grant No.PY201611)
文摘The electronic structure and thermoelectric（TE） properties of Mg2GexSn1-x（x = 0.25, 0.50, 0.75） solid solutions are investigated by first-principles calculations and semi-classical Boltzmann theory. The special quasi-random structure（SQS） is used to model the solid solutions, which can produce reasonable band gaps with respect to experimental results.The n-type solid solutions have an excellent thermoelectric performance with maximum zT values exceeding 2.0, where the combination of low lattice thermal conductivity and high power factor（PF） plays an important role. These values are higher than those of pure Mg2Sn and Mg2Ge. The p-type solid solutions are inferior to the n-type ones, mainly due to the much lower PF. The maximum zT value of 0.62 is predicted for p-type Mg2Ge（0.25）Sn（0.75） at 800K. The results suggest that the n-type Mg2GexSn1-x solid solutions are promising mid-temperature TE materials.
基金Project supported by the Doctoral Foundation of University of Jinan (Grant No.XBS0845)the Key Laboratory of Luminescence and Optical Information (Beijing Jiaotong University)+2 种基金Ministry of Education,China (Grant No.2010LOI01)the Natural Science Foundation of Shandong Province,China (Grant Nos.Y2008A21 and SZR0704)the Scientific Research Foundation of the Education Department of Shandong Province,China (Grant No.J08LI12)
文摘This paper utilizes the brightness-voltage waveform curve to investigate the primary electron in solid state cathodoluminescence. The results indicate that the primary electron is from the interface state of SiO2/MEH-PPV （Poly[2- methoxy-5-（2-ethylhexyloxy）-1,4-phenylenevinylene]） under the lower electric field which contributes to the 580-nm emission. With increasing the electric field, the 405-nm emission is obtained, and under this condition, the origin of the primary electron is mainly from tunneling.
基金supported by the National Natural Science Foundation of China(No.51174028)the Beijing Natural Science Foundation(No.2102029)
文摘To fabricate electronic packaging shell of coppermatrix composite with characteristics of high ther mal conductivity and low thermal expansion coefficient, semisolid forming technology, and powder metallurgy was combined. Conventional mechanical mixing of Cu and SiC could have insufficient wettability, and a new method of semisolid processing was introduced for billets preparation. The SiC/Cu composites were first prepared by PM, and then, semisolid reheating was performed for the successive semisolid forging. Composite billets with SiC 35 % vol ume fraction were compacted and sintered pressurelessly, microstructure analysis showed that the composites pre pared by PM had high density, and the combination between SiC particles and Cualloy was good. Semisolid reheating was the crucial factor in determining the micro structure and thixotropic property of the billet. An opti mised reheating strategy was proposed： temperature 1,025 ℃and holding time 5 min.
基金Project supported by the Indian Space Research Organization through Respond Project (Grant No.ISRO/RES/2/356/10-11)
文摘In the present paper, the inelastic mean free path （IMFP） of incident electrons is calculated as a function of energy for silicon （Si）, oxides of silicon （SiO2）, SiO, and A1203 in bulk form by employing atomic/molecular inelastic cross sections derived by using a semi-empirical quantum mechanical method developed earlier. A general agreement of the present results is found with most of the available data. It is of great importance that we have been able to estimate the minimum IMFP, which corresponds to the peak of inelastic interactions of incident electrons in each solid investigated. New results are presented for SiO, for which no comparison is available. The present work is important in view of the lack of experimental data on the IMFP in solids.
文摘Single crystal of Ba2SbGaSs has been synthesized by the high temperature solidstate reaction method. The compound crystallizes in the orthorhombic space group Pnma with a = 12.177（4）, b = 8.880（3）, c = 8.982（3） A, V= 971.4（6） A3, Z = 4, De = 4.284 g/cm3,μ = 14.487 mm-1, F（000） - 1096, the final R = 0.0171 and wR = 0.0384 for all data. The structure comprises an infinite one-dimensional 1∞[SbGaS5]4- anionic chain constructed from the GaS4 tetrahedra and the SbS5 polyhedra via sharing edge alternately. The paralleled 1∞[SbGaS5]4anionic chains engage with each other and form the two-dimensional Sb-Ga-S layer perpendicular to a-axis with the isolated Ba2＋ cations arranged between layers. The IR spectrum and the UV-Vis spectrum have been investigated. Also, the first-principles band structure and density of states calculations indicate that the compound belongs to indirect semiconductor with the band gap of 2.1 eV, which is supported by the UV-Vis diffuse reflectance results.
