Magnetism and the stability of (Ga 1-xFe x)As are investigated using the first principles LMTO-ASA band calculation by assuming supercell structures.Four concentrations of the 3d impurities are studied (x=1,1/2,1/...Magnetism and the stability of (Ga 1-xFe x)As are investigated using the first principles LMTO-ASA band calculation by assuming supercell structures.Four concentrations of the 3d impurities are studied (x=1,1/2,1/4,and 1/8).The results show the effect of varying Fe concentration on the magnetic and stable properties.展开更多
The fabrication and characterization of a Schottky-emitter heterojunction-collector UV-enhanced bipolar phototransistor （SHBT） are presented. The luminescence peak of the ZnO film is observed at 371nm in the PL spec...The fabrication and characterization of a Schottky-emitter heterojunction-collector UV-enhanced bipolar phototransistor （SHBT） are presented. The luminescence peak of the ZnO film is observed at 371nm in the PL spectrum. The sensitivity of the ultraviolet response from 200 to 400nm is enhanced noticeably, and the spectrum response at wavelengths longer than 400nm is also retained, The experiments show that the Au/n-ZnO/p-Si SHBT UV enhanced phototransistor enhances the sensitivity of the ultraviolet response noticeably. The UV response sensitivity at 370nm of the phototransistor is 5-10 times that of a ZnO/Si heterojunction UV enhanced photodiode.展开更多
CdS thin films were prepared by chemical-bath-deposited method and the effect of temperature and time on the properties of CdS thin films was studied. Independent of the deposited temperature, the growth was mainly co...CdS thin films were prepared by chemical-bath-deposited method and the effect of temperature and time on the properties of CdS thin films was studied. Independent of the deposited temperature, the growth was mainly controlled by the ion-by-ion growth mechanism at the beginning of the film deposition, then the cluster-by-cluster mechanism came to be dominant. The growth rate increased faster with the increasing of temperature until the thickness reached the limitation, then thickness instead become thinner. The scanning electron micro- scope results revealed that the morphology of the CdS film changed from pinholes to rough, inhomogeneous surface with increasing deposition time and deposition temperature. The X- ray diffraction results showed the film structure was a mixture of two phases： hexagonal and cubic, and it was very important to controll deposition time to the film＇s crystal phase. All films in depth of approxilnate 100 nm existed above 65% transmittance, the absorption edge became ＂red-shift＂ with temperature rising. At 60 and 70℃, with 20 min deposited-time, the energy band gap was more than 2.42 eV and decreased with time, while at 80 and 90℃ the energy band gap was less than 2.42 eV and increased little when the time changed from 10min to 15 nfin at 80℃.展开更多
Electronic and optical properties of rock-salt AIN under high pressure are investigated by first-principlesmethod based on the plane-wave basis set.Analysis of band structures suggests that the rock-salt AIN has an in...Electronic and optical properties of rock-salt AIN under high pressure are investigated by first-principlesmethod based on the plane-wave basis set.Analysis of band structures suggests that the rock-salt AIN has an indirectgap of 4.53 eV,which is in good agreement with other results.By investigating the effects of pressure on the energygap,the different movement of conduction band at X point below and above 22.5 GPa is predicted.The opticalproperties including dielectric function,absorption,reflectivity,and refractive index are also calculated and analyzed.Itis found that the rock-salt AIN is transparent from the partially ultra-violet to the visible light area and hardly does thetransparence affected by the pressure.Furthermore,the curve of optical spectrum will shift to high energy area (blueshift) with increasing pressure.展开更多
On the basis of free-electronic bands, the Fermi energy is calculated by summing the band eigenvalues over Brillouin-zones ,and the results may lead to understand the physical basis of the average-bond-energy model in...On the basis of free-electronic bands, the Fermi energy is calculated by summing the band eigenvalues over Brillouin-zones ,and the results may lead to understand the physical basis of the average-bond-energy model in the calculation of valence-band offsets.展开更多
The binding energies of the lowest singlet and triplet states of positively charged excitons confined to a quantum disc are studied using exact diagonalization techniques. We investigate the dependence of the binding ...The binding energies of the lowest singlet and triplet states of positively charged excitons confined to a quantum disc are studied using exact diagonalization techniques. We investigate the dependence of the binding energies on the confinement strength and on the effective electron-to-hole mass ratio. The results we have obtained show that the binding energies are closely correlated to the strength of the confinement potential and the effective electron-to-hole mass ratio.展开更多
A natural polymer composite is the main choice to replace composites from petroleum derivatives. A composite is formed in two or more phases （i.e., organic and inorganic phases）. A composite that has specified energ...A natural polymer composite is the main choice to replace composites from petroleum derivatives. A composite is formed in two or more phases （i.e., organic and inorganic phases）. A composite that has specified energy band gap, electrical conductivity, and tensile strength can be used as semiconductor material. The objective of this research was to study the effect of production methods, concentration and type of metal oxide filler （TiO2, A1203, Fe203, and ZnO） on structure, energy band gap, and electrical conductivity of composites. Composites were prepared using a melt intercalation process with tapioca as a matrix and addition of 1%, 3%, 5o and 7% filler concentrations, and sonication processing time in interval of 40, 50, and 60 min. Structure and morphology of the composite were analyzed using FT-IR, XRD, SEM, and TEM. UV-vis was used to measure the energy band gap while electrical conductivity was measured using a potentiostat through determination of resistivity. In addition, tensile strength and elongation were measured by ASTM 822-02. The energy band gap of the tapioca/metal oxide composite was between 4.9-1.62 eV. Electrical conductivity showed a percolation thresholds for concentrations of 3%-5% TiO2, A1203, and Fe203 and 7% ZnO. The tapioca/ZnO composite with 5% ZnO and 50 min of processing time showed a maximum tensile strength of 74.84 kgf/cm2, 6% elongation, 1.27 - 10^-7ohm^-1cm^-1 electrical conductivity and energy band gap of 3.27 eV. The characteristics described show that the tapioca/metal oxide composite can be used as a semiconductor material.展开更多
Based on Peltier effect,Bi_(2)Te_(3)-based alloy is widely used in commercial solid-state refrigeration at room temperature.The mainstream strategies for enhancing room-temperature thermoelectric performance in Bi_(2)...Based on Peltier effect,Bi_(2)Te_(3)-based alloy is widely used in commercial solid-state refrigeration at room temperature.The mainstream strategies for enhancing room-temperature thermoelectric performance in Bi_(2)Te_(3)focus on band and microstructure engineering.However,a clear understanding of the modulation of band structure and scattering through such engineering remains still challenging,because the minority carriers compensate partially the overall transport properties for the narrow-gap Bi_(2)Te_(3)at room temperature(known as the bipolar effect).The purpose of this work is to model the transport properties near and far away from the bipolar effect region for Bi_(2)Te_(3)-based thermoelectric material by a two-band model taking contributions of both majority and minority carriers into account.This is endowed by shifting the Fermi level from the conduction band to the valence band during the modeling.A large amount of data of Bi_(2)Te_(3)-based materials is collected from various studies for the comparison between experimental and predicted properties.The fundamental parameters,such as the density of states effective masses and deformation potential coefficients,of Bi_(2)Te_(3)-based materials are quantified.The analysis can help find out the impact factors(e.g.the mobility ratio between conduction and valence bands)for the improvement of thermoelectric properties for Bi_(2)Te_(3)-based alloys.This work provides a convenient tool for analyzing and predicting the transport performance even in the presence of bipolar effect,which can facilitate the development of the narrow-gap thermoelectric semiconductors.展开更多
We present a system study on the electronic structure and optical property of boron doped semiconducting graphene nanoribbons using the density functional theory. Energy band structure, density of states, deformation ...We present a system study on the electronic structure and optical property of boron doped semiconducting graphene nanoribbons using the density functional theory. Energy band structure, density of states, deformation density, Mulliken popular and optical spectra are considered to show the special electronic structure of boron doped semiconducting graphene nanoribbons. The C-B bond form is discussed in detail. From our analysis it is concluded that the Fermi energy of boron doped semiconducting graphene nanoribbons gets lower than that of intrinsic semiconducting graphene nanoribbons. Our results also show that the boron doped semiconducting graphene nanoribbons behave as p-type semiconducting and that the absorption coefficient of boron doped armchair graphene nanoribbons is generally enhanced between 2.0 eV and 3.3 eV. Therefore, our results have a great significance in developing nano-material for fabricating the nano-photovoltaic devices.展开更多
Multilayer MoS2 is a promising active material for sensing, energy harvesting, and optoelectronic devices owing to its intriguing tunable electronic band structure. However, its optoelectronic applications have been l...Multilayer MoS2 is a promising active material for sensing, energy harvesting, and optoelectronic devices owing to its intriguing tunable electronic band structure. However, its optoelectronic applications have been limited due to its indirect band gap nature. In this study, we fabricated a new type of phototransistor using multilayer MoS2 crystal hybridized with p-type organic semiconducting rubrene patches. Owing to the outstanding photophysical properties of rubrene, the device characteristics such as charge mobility and photoresponsivity were considerably enhanced to an extent depending on the thickness of the rubrene patches. The enhanced photoresponsive conductance was analyzed in terms of the charge results of the nanoscale laser confocal time-resolved PL measurements. transfer doping effect, validated by the microscope photoluminescence （PL） and展开更多
In present paper, the non-equilibrium Green function(NEGF) method along with the density functional theory(DFT) are used to investigate the effect of width on transport and electronic properties of armchair graphyne(...In present paper, the non-equilibrium Green function(NEGF) method along with the density functional theory(DFT) are used to investigate the effect of width on transport and electronic properties of armchair graphyne(γ-graphyne) nanoribbons. The results show that all the studied nanoribbons are semiconductor and their band gaps decrease as the widths of nanoribbons increase, which will result in increasing current at a certain voltage. Also our results show the promising application of armchair graphyne nanoribbons in nano-electrical devices.展开更多
文摘Magnetism and the stability of (Ga 1-xFe x)As are investigated using the first principles LMTO-ASA band calculation by assuming supercell structures.Four concentrations of the 3d impurities are studied (x=1,1/2,1/4,and 1/8).The results show the effect of varying Fe concentration on the magnetic and stable properties.
文摘The fabrication and characterization of a Schottky-emitter heterojunction-collector UV-enhanced bipolar phototransistor （SHBT） are presented. The luminescence peak of the ZnO film is observed at 371nm in the PL spectrum. The sensitivity of the ultraviolet response from 200 to 400nm is enhanced noticeably, and the spectrum response at wavelengths longer than 400nm is also retained, The experiments show that the Au/n-ZnO/p-Si SHBT UV enhanced phototransistor enhances the sensitivity of the ultraviolet response noticeably. The UV response sensitivity at 370nm of the phototransistor is 5-10 times that of a ZnO/Si heterojunction UV enhanced photodiode.
文摘CdS thin films were prepared by chemical-bath-deposited method and the effect of temperature and time on the properties of CdS thin films was studied. Independent of the deposited temperature, the growth was mainly controlled by the ion-by-ion growth mechanism at the beginning of the film deposition, then the cluster-by-cluster mechanism came to be dominant. The growth rate increased faster with the increasing of temperature until the thickness reached the limitation, then thickness instead become thinner. The scanning electron micro- scope results revealed that the morphology of the CdS film changed from pinholes to rough, inhomogeneous surface with increasing deposition time and deposition temperature. The X- ray diffraction results showed the film structure was a mixture of two phases： hexagonal and cubic, and it was very important to controll deposition time to the film＇s crystal phase. All films in depth of approxilnate 100 nm existed above 65% transmittance, the absorption edge became ＂red-shift＂ with temperature rising. At 60 and 70℃, with 20 min deposited-time, the energy band gap was more than 2.42 eV and decreased with time, while at 80 and 90℃ the energy band gap was less than 2.42 eV and increased little when the time changed from 10min to 15 nfin at 80℃.
基金National Natural Science Foundation of China under Grant Nos.10576020 and 10776022
文摘Electronic and optical properties of rock-salt AIN under high pressure are investigated by first-principlesmethod based on the plane-wave basis set.Analysis of band structures suggests that the rock-salt AIN has an indirectgap of 4.53 eV,which is in good agreement with other results.By investigating the effects of pressure on the energygap,the different movement of conduction band at X point below and above 22.5 GPa is predicted.The opticalproperties including dielectric function,absorption,reflectivity,and refractive index are also calculated and analyzed.Itis found that the rock-salt AIN is transparent from the partially ultra-violet to the visible light area and hardly does thetransparence affected by the pressure.Furthermore,the curve of optical spectrum will shift to high energy area (blueshift) with increasing pressure.
文摘On the basis of free-electronic bands, the Fermi energy is calculated by summing the band eigenvalues over Brillouin-zones ,and the results may lead to understand the physical basis of the average-bond-energy model in the calculation of valence-band offsets.
文摘The binding energies of the lowest singlet and triplet states of positively charged excitons confined to a quantum disc are studied using exact diagonalization techniques. We investigate the dependence of the binding energies on the confinement strength and on the effective electron-to-hole mass ratio. The results we have obtained show that the binding energies are closely correlated to the strength of the confinement potential and the effective electron-to-hole mass ratio.
文摘A natural polymer composite is the main choice to replace composites from petroleum derivatives. A composite is formed in two or more phases （i.e., organic and inorganic phases）. A composite that has specified energy band gap, electrical conductivity, and tensile strength can be used as semiconductor material. The objective of this research was to study the effect of production methods, concentration and type of metal oxide filler （TiO2, A1203, Fe203, and ZnO） on structure, energy band gap, and electrical conductivity of composites. Composites were prepared using a melt intercalation process with tapioca as a matrix and addition of 1%, 3%, 5o and 7% filler concentrations, and sonication processing time in interval of 40, 50, and 60 min. Structure and morphology of the composite were analyzed using FT-IR, XRD, SEM, and TEM. UV-vis was used to measure the energy band gap while electrical conductivity was measured using a potentiostat through determination of resistivity. In addition, tensile strength and elongation were measured by ASTM 822-02. The energy band gap of the tapioca/metal oxide composite was between 4.9-1.62 eV. Electrical conductivity showed a percolation thresholds for concentrations of 3%-5% TiO2, A1203, and Fe203 and 7% ZnO. The tapioca/ZnO composite with 5% ZnO and 50 min of processing time showed a maximum tensile strength of 74.84 kgf/cm2, 6% elongation, 1.27 - 10^-7ohm^-1cm^-1 electrical conductivity and energy band gap of 3.27 eV. The characteristics described show that the tapioca/metal oxide composite can be used as a semiconductor material.
基金National Natural Science Foundation of China(T2125008,92263108,92163203,52102292,52003198)Shanghai Rising-Star Program(23QA1409300)Innovation Program of Shanghai Municipal Education Commission(2021-01-07-00-07-E00096)。
文摘Based on Peltier effect,Bi_(2)Te_(3)-based alloy is widely used in commercial solid-state refrigeration at room temperature.The mainstream strategies for enhancing room-temperature thermoelectric performance in Bi_(2)Te_(3)focus on band and microstructure engineering.However,a clear understanding of the modulation of band structure and scattering through such engineering remains still challenging,because the minority carriers compensate partially the overall transport properties for the narrow-gap Bi_(2)Te_(3)at room temperature(known as the bipolar effect).The purpose of this work is to model the transport properties near and far away from the bipolar effect region for Bi_(2)Te_(3)-based thermoelectric material by a two-band model taking contributions of both majority and minority carriers into account.This is endowed by shifting the Fermi level from the conduction band to the valence band during the modeling.A large amount of data of Bi_(2)Te_(3)-based materials is collected from various studies for the comparison between experimental and predicted properties.The fundamental parameters,such as the density of states effective masses and deformation potential coefficients,of Bi_(2)Te_(3)-based materials are quantified.The analysis can help find out the impact factors(e.g.the mobility ratio between conduction and valence bands)for the improvement of thermoelectric properties for Bi_(2)Te_(3)-based alloys.This work provides a convenient tool for analyzing and predicting the transport performance even in the presence of bipolar effect,which can facilitate the development of the narrow-gap thermoelectric semiconductors.
基金supported by the Natural Science Foundation of Fujian Province of China (Grant No. A0220001)Science Research Project of Leshan Vocational & Technical College (Grant No. KY2011001)the Key Research Project in Science and Technology of Leshan (Grant No. 2011GZD050)
文摘We present a system study on the electronic structure and optical property of boron doped semiconducting graphene nanoribbons using the density functional theory. Energy band structure, density of states, deformation density, Mulliken popular and optical spectra are considered to show the special electronic structure of boron doped semiconducting graphene nanoribbons. The C-B bond form is discussed in detail. From our analysis it is concluded that the Fermi energy of boron doped semiconducting graphene nanoribbons gets lower than that of intrinsic semiconducting graphene nanoribbons. Our results also show that the boron doped semiconducting graphene nanoribbons behave as p-type semiconducting and that the absorption coefficient of boron doped armchair graphene nanoribbons is generally enhanced between 2.0 eV and 3.3 eV. Therefore, our results have a great significance in developing nano-material for fabricating the nano-photovoltaic devices.
文摘Multilayer MoS2 is a promising active material for sensing, energy harvesting, and optoelectronic devices owing to its intriguing tunable electronic band structure. However, its optoelectronic applications have been limited due to its indirect band gap nature. In this study, we fabricated a new type of phototransistor using multilayer MoS2 crystal hybridized with p-type organic semiconducting rubrene patches. Owing to the outstanding photophysical properties of rubrene, the device characteristics such as charge mobility and photoresponsivity were considerably enhanced to an extent depending on the thickness of the rubrene patches. The enhanced photoresponsive conductance was analyzed in terms of the charge results of the nanoscale laser confocal time-resolved PL measurements. transfer doping effect, validated by the microscope photoluminescence （PL） and
文摘In present paper, the non-equilibrium Green function(NEGF) method along with the density functional theory(DFT) are used to investigate the effect of width on transport and electronic properties of armchair graphyne(γ-graphyne) nanoribbons. The results show that all the studied nanoribbons are semiconductor and their band gaps decrease as the widths of nanoribbons increase, which will result in increasing current at a certain voltage. Also our results show the promising application of armchair graphyne nanoribbons in nano-electrical devices.
