The structural, energetic, and electronic properties of lattice highly mismatched ZnY1-xOx （Y = S, Se, Te） ternary alloys with dilute O concentrations are calculated from first principles within the density function...The structural, energetic, and electronic properties of lattice highly mismatched ZnY1-xOx （Y = S, Se, Te） ternary alloys with dilute O concentrations are calculated from first principles within the density functional theory. We demonstrate the formation of an isolated intermediate electronic band structure through diluted O-substitute in zinc-blende ZnY （Y = S, Se, Te） at octahedral sites in a semiconductor by the calculations of density of states （DOS）, leading to a significant absorption below the band gap of the parent semiconductor and an enhancement of the optical absorption in the whole energy range of the solar spectrum. It is found that the intermediate band states should be described as a result of the coupling between impurity O 2p states with the conduction band states. Moreover, the intermediate bands （IBs） in ZnTeO show high stabilization with the change of O concentration resulting from the largest electronegativity difference between O and Te compared with in the other ZnSO and ZnSeO.展开更多
Zinc oxide（ZnO） is a compound semiconductor with a direct band gap and high exciton binding energy.The unique property,i.e.,high efficient light emission at ultraviolet band,makes ZnO potentially applied to the shor...Zinc oxide（ZnO） is a compound semiconductor with a direct band gap and high exciton binding energy.The unique property,i.e.,high efficient light emission at ultraviolet band,makes ZnO potentially applied to the short-wavelength light emitting devices.However,efficient p-type doping is extremely hard for ZnO.Due to the wide band gap and low valence band energy,the self-compensation from donors and high ionization energy of acceptors are the two main problems hindering the enhancement of free hole concentration.Native defects in ZnO can be divided into donor-like and acceptorlike ones.The self-compensation has been found mainly to originate from zinc interstitial and oxygen vacancy related donors.While the acceptor-like defect,zinc vacancy,is thought to be linked to complex shallow acceptors in group-VA doped ZnO.Therefore,the understanding of the behaviors of the native defects is critical to the realization of high-efficient p-type conduction.Meanwhile,some novel ideas have been extensively proposed,like double-acceptor co-doping,acceptor doping in iso-valent element alloyed ZnO,etc.,and have opened new directions for p-type doping.Some of the approaches have been positively judged.In this article,we thus review the recent（2011-now） research progress of the native defects and p-type doping approaches globally.We hope to provide a comprehensive overview and describe a complete picture of the research status of the p-type doping in ZnO for the reference of the researchers in a similar area.展开更多
II-VI和III-V族高失配合金半导体是新型高效中间带太阳电池的优选材料体系,但中间带的形成及其能带调控等关键问题仍未得到有效解决.采用氧离子注入方式,在非平衡条件下对碲化锌(Zn Te)单晶材料实现了等电子掺杂,深入研究了离子注入对Zn...II-VI和III-V族高失配合金半导体是新型高效中间带太阳电池的优选材料体系,但中间带的形成及其能带调控等关键问题仍未得到有效解决.采用氧离子注入方式,在非平衡条件下对碲化锌(Zn Te)单晶材料实现了等电子掺杂,深入研究了离子注入对Zn Te:O材料的微观结构和光学特性的影响.研究表明:注入合适浓度的氧离子(2.5×1018cm-3)将会形成晶格应变,并诱导1.80 e V(导带下0.45 e V)中间带的产生;而较高浓度(2.5×1020cm-3)的氧离子会导致Zn Te注入层表面非晶化,并增强与锌空位相关的深能级(～1.6 e V)发光.时间分辨光致发光结果显示,离子注入诱导形成的中间带主要是和氧等电子陷阱束缚的局域激子发光有关,载流子衰减寿命较长(129 ps).因此,需要降低晶格紊乱度和合金无序,实现电子局域态向扩展态的转变,从而有效调控中间带能带结构.展开更多
Regulation of oxygen on properties of moderately boron-doped diamond films is fully investigated.Results show that,with adding a small amount of oxygen(oxygen-to-carbon ratio<5.0%),the crystal quality of diamond is...Regulation of oxygen on properties of moderately boron-doped diamond films is fully investigated.Results show that,with adding a small amount of oxygen(oxygen-to-carbon ratio<5.0%),the crystal quality of diamond is improved,and a suppression effect of residual nitrogen is observed.With increasing ratio of O/C from 2.5%to 20.0%,the hole concentration is firstly increased then reduced.This change of hole concentration is also explained.Moreover,the results of Hall effect measurement with temperatures from 300 K to 825 K show that,with adding a small amount of oxygen,boron and oxygen complex structures(especially B_(3)O and B_(4)O)are formed and exhibit as shallow donor in diamond,which results in increase of donor concentration.With further increase of ratio of O/C,the inhibitory behaviors of oxygen on boron leads to decrease of acceptor concentration(the optical emission spectroscopy has shown that it is decreased with ratio of O/C more than 10.0%).This work demonstrates that oxygen-doping induced increasement of the crystalline and surface quality could be restored by the co-doping with oxygen.The technique could achieve boron-doped diamond films with both high quality and acceptable hole concentration,which is applicable to electronic level of usage.展开更多
Unintentional nitrogen incorporation has been observed in a set of microwave plasma chemical vapor deposition(MPCVD)-grown samples.No abnormality has been detected on the apparatus especially the base pressure and fee...Unintentional nitrogen incorporation has been observed in a set of microwave plasma chemical vapor deposition(MPCVD)-grown samples.No abnormality has been detected on the apparatus especially the base pressure and feeding gas purity.By a comprehensive investigation including the analysis of the plasma composition,we found that a minor leakage of the system could be significantly magnified by the thermal effect,resulting in a considerable residual nitrogen in the diamond material.Moreover,the doping mechanism of leaked air is different to pure nitrogen doping.The dosage of several ppm of pure nitrogen can lead to efficient nitrogen incorporation in diamond,while at least thousands ppm of leaked air is required for detecting obvious residual nitrogen.The difference of the dosage has been ascribed to the suppression effect of oxygen that consumes nitrogen.As the unintentional impurity is basically detrimental to the controllable fabrication of diamond for electronic application,we have provided an effective way to suppress the residual nitrogen in a slightly leaked system by modifying the susceptor geometry.This study indicates that even if a normal base pressure can be reached,the nitrogen residing in the chamber can be“activated”by the thermal effect and thus be incorporated in diamond material grown by a MPCVD reactor.展开更多
This work proposed to change the structure of the sample susceptor of the microwave plasma chemical vapor deposition(MPCVD)reaction chamber,that is,to introduce a small hole in the center of the susceptor to study its...This work proposed to change the structure of the sample susceptor of the microwave plasma chemical vapor deposition(MPCVD)reaction chamber,that is,to introduce a small hole in the center of the susceptor to study its suppression effect on the incorporation of residual nitrogen in the MPCVD diamond film.By using COMSOL multiphysics software simulation,the plasma characteristics and the concentration of chemical reactants in the cylindrical cavity of MPCVD system were studied,including electric field intensity,electron number density,electron temperature,the concentrations of atomic hydrogen,methyl,and nitrogenous substances,etc.After introducing a small hole in the center of the molybdenum support susceptor,we found that no significant changes were found in the center area of the plasma,but the electron state in the plasma changed greatly on the surface above the susceptor.The electron number density was reduced by about 40%,while the electron temperature was reduced by about 0.02 eV,and the concentration of atomic nitrogen was decreased by about an order of magnitude.Moreover,we found that if a specific lower microwave input power is used,and a susceptor structure without the small hole is introduced,the change results similar to those in the surface area of the susceptor will be obtained,but the spatial distribution of electromagnetic field and reactant concentration will be changed.展开更多
基金Project supported by the State Key Program for Basic Research of China (Grant No.2011CB302003)the Project of High Technology Research and Development Program of China (Grant No.2007AA03Z404)+1 种基金the National Natural Science Foundation of China (Grant Nos.60990312,61274058,61025020,and 61073101)the Natural Science Foundation of Anhui Province,China (Grant No.1208085QF116)
文摘The structural, energetic, and electronic properties of lattice highly mismatched ZnY1-xOx （Y = S, Se, Te） ternary alloys with dilute O concentrations are calculated from first principles within the density functional theory. We demonstrate the formation of an isolated intermediate electronic band structure through diluted O-substitute in zinc-blende ZnY （Y = S, Se, Te） at octahedral sites in a semiconductor by the calculations of density of states （DOS）, leading to a significant absorption below the band gap of the parent semiconductor and an enhancement of the optical absorption in the whole energy range of the solar spectrum. It is found that the intermediate band states should be described as a result of the coupling between impurity O 2p states with the conduction band states. Moreover, the intermediate bands （IBs） in ZnTeO show high stabilization with the change of O concentration resulting from the largest electronegativity difference between O and Te compared with in the other ZnSO and ZnSeO.
基金Project supported by the State Key Program for Basic Research of China(Grant No.2011CB302003)the National Natural Science Foundation of China(Grant Nos.61274058,61322403,61504057,and 61574075)+1 种基金the Natural Science Foundation of Jiangsu Province,China(Grant Nos.BK20130013 and BK20150585)the Six Talent Peaks Project in Jiangsu Province,China(Grant No.2014XXRJ001)
文摘Zinc oxide（ZnO） is a compound semiconductor with a direct band gap and high exciton binding energy.The unique property,i.e.,high efficient light emission at ultraviolet band,makes ZnO potentially applied to the short-wavelength light emitting devices.However,efficient p-type doping is extremely hard for ZnO.Due to the wide band gap and low valence band energy,the self-compensation from donors and high ionization energy of acceptors are the two main problems hindering the enhancement of free hole concentration.Native defects in ZnO can be divided into donor-like and acceptorlike ones.The self-compensation has been found mainly to originate from zinc interstitial and oxygen vacancy related donors.While the acceptor-like defect,zinc vacancy,is thought to be linked to complex shallow acceptors in group-VA doped ZnO.Therefore,the understanding of the behaviors of the native defects is critical to the realization of high-efficient p-type conduction.Meanwhile,some novel ideas have been extensively proposed,like double-acceptor co-doping,acceptor doping in iso-valent element alloyed ZnO,etc.,and have opened new directions for p-type doping.Some of the approaches have been positively judged.In this article,we thus review the recent（2011-now） research progress of the native defects and p-type doping approaches globally.We hope to provide a comprehensive overview and describe a complete picture of the research status of the p-type doping in ZnO for the reference of the researchers in a similar area.
文摘II-VI和III-V族高失配合金半导体是新型高效中间带太阳电池的优选材料体系,但中间带的形成及其能带调控等关键问题仍未得到有效解决.采用氧离子注入方式,在非平衡条件下对碲化锌(Zn Te)单晶材料实现了等电子掺杂,深入研究了离子注入对Zn Te:O材料的微观结构和光学特性的影响.研究表明:注入合适浓度的氧离子(2.5×1018cm-3)将会形成晶格应变,并诱导1.80 e V(导带下0.45 e V)中间带的产生;而较高浓度(2.5×1020cm-3)的氧离子会导致Zn Te注入层表面非晶化,并增强与锌空位相关的深能级(～1.6 e V)发光.时间分辨光致发光结果显示,离子注入诱导形成的中间带主要是和氧等电子陷阱束缚的局域激子发光有关,载流子衰减寿命较长(129 ps).因此,需要降低晶格紊乱度和合金无序,实现电子局域态向扩展态的转变,从而有效调控中间带能带结构.
基金Project supported by the National Key Research and Development Program of China(Grant Nos.2018YFB0406502,2017YFF0210800,and 2017YFB0403003)the National Natural Science Foundation of China(Grant Nos.61774081,61775203,61574075,61974059,61674077,and 91850112)+2 种基金the State Key Research and Development Project of Jiangsu,China(Grant No.BE2018115)State Key Laboratory of Wide-Bandgap Semiconductor Power Electric Devices(Grant No.2017KF001)Anhui University Natural Science Research Project(Grant No.KJ2021A0037)
文摘Regulation of oxygen on properties of moderately boron-doped diamond films is fully investigated.Results show that,with adding a small amount of oxygen(oxygen-to-carbon ratio<5.0%),the crystal quality of diamond is improved,and a suppression effect of residual nitrogen is observed.With increasing ratio of O/C from 2.5%to 20.0%,the hole concentration is firstly increased then reduced.This change of hole concentration is also explained.Moreover,the results of Hall effect measurement with temperatures from 300 K to 825 K show that,with adding a small amount of oxygen,boron and oxygen complex structures(especially B_(3)O and B_(4)O)are formed and exhibit as shallow donor in diamond,which results in increase of donor concentration.With further increase of ratio of O/C,the inhibitory behaviors of oxygen on boron leads to decrease of acceptor concentration(the optical emission spectroscopy has shown that it is decreased with ratio of O/C more than 10.0%).This work demonstrates that oxygen-doping induced increasement of the crystalline and surface quality could be restored by the co-doping with oxygen.The technique could achieve boron-doped diamond films with both high quality and acceptable hole concentration,which is applicable to electronic level of usage.
基金Project supported by the National Key R&D Program of China(Grant Nos.2018YFB0406502,2017YFF0210800,and 2017YFB0403003)the National Natural Science Foundation of China(Grant Nos.61974059,61674077,and 61774081)+1 种基金the Natural Science Foundation of Jiangsu Province,China(Grant No.BK20160065)the Fundamental Research Funds for the Central Universities
文摘Unintentional nitrogen incorporation has been observed in a set of microwave plasma chemical vapor deposition(MPCVD)-grown samples.No abnormality has been detected on the apparatus especially the base pressure and feeding gas purity.By a comprehensive investigation including the analysis of the plasma composition,we found that a minor leakage of the system could be significantly magnified by the thermal effect,resulting in a considerable residual nitrogen in the diamond material.Moreover,the doping mechanism of leaked air is different to pure nitrogen doping.The dosage of several ppm of pure nitrogen can lead to efficient nitrogen incorporation in diamond,while at least thousands ppm of leaked air is required for detecting obvious residual nitrogen.The difference of the dosage has been ascribed to the suppression effect of oxygen that consumes nitrogen.As the unintentional impurity is basically detrimental to the controllable fabrication of diamond for electronic application,we have provided an effective way to suppress the residual nitrogen in a slightly leaked system by modifying the susceptor geometry.This study indicates that even if a normal base pressure can be reached,the nitrogen residing in the chamber can be“activated”by the thermal effect and thus be incorporated in diamond material grown by a MPCVD reactor.
基金financial support from the National Natural Science Foundation of China(Grant Nos.61974059,61674077,and 61774081)the Fundamental Research Funds for the Central Universities,China。
文摘This work proposed to change the structure of the sample susceptor of the microwave plasma chemical vapor deposition(MPCVD)reaction chamber,that is,to introduce a small hole in the center of the susceptor to study its suppression effect on the incorporation of residual nitrogen in the MPCVD diamond film.By using COMSOL multiphysics software simulation,the plasma characteristics and the concentration of chemical reactants in the cylindrical cavity of MPCVD system were studied,including electric field intensity,electron number density,electron temperature,the concentrations of atomic hydrogen,methyl,and nitrogenous substances,etc.After introducing a small hole in the center of the molybdenum support susceptor,we found that no significant changes were found in the center area of the plasma,but the electron state in the plasma changed greatly on the surface above the susceptor.The electron number density was reduced by about 40%,while the electron temperature was reduced by about 0.02 eV,and the concentration of atomic nitrogen was decreased by about an order of magnitude.Moreover,we found that if a specific lower microwave input power is used,and a susceptor structure without the small hole is introduced,the change results similar to those in the surface area of the susceptor will be obtained,but the spatial distribution of electromagnetic field and reactant concentration will be changed.
