The field emission from pure boron-nitride nanotube and boron-nitride nanotube encapsu- lated with natrium atoms with the electric field perpendicular to the axis of nanotubes is simulated based on a self-consistent m...The field emission from pure boron-nitride nanotube and boron-nitride nanotube encapsu- lated with natrium atoms with the electric field perpendicular to the axis of nanotubes is simulated based on a self-consistent method using the density-functional formalism. It has been found that the nearly-free-electron states in boron-nitride nanotube would perform very well in field emissions after natrium atom encapsulation. The characters of total energy distribution curves are analyzed to seek the function of nearly-free-electron states in the field emission, with special attention to response of the emission current to the external electric field. At last, the perpendicular emission geometry is found to possess a very sensitive response degree which is supposed to be related to specific expansion orientation of the nearly-free-electron states in this system.展开更多
ABSTRACT In this work we conducted classical molecular dynamics(MD)simulation to investigate the mechanical characteristics and failure mechanism of hexagonal boron-nitride(h-BN)nanosheets.Pristine and defective struc...ABSTRACT In this work we conducted classical molecular dynamics(MD)simulation to investigate the mechanical characteristics and failure mechanism of hexagonal boron-nitride(h-BN)nanosheets.Pristine and defective structure of h-BN nanosheets were considered under the uniaxial tensile loadings at various temperatures.The defective structure contains three types of the most common initial defects in engineering materials that are known as cracks,notches(with various length/size),and point vacancy defects(with a wide range of concentration).MD simulation results demonstrate a high load-bearing capacity of extremely defective(amorphized)h-BN nanosheets.Our results also reveal that the tensile strength decline by increasing the defect content and temperature as well.Our MD results provide a comprehensive and useful vision concerning the mechanical properties ofh-BN nanosheets with/without defects,which is very critical for the designing of nanodevices exploiting the exceptional physics of h-BN.展开更多
A boron nitride （BN）/silicon p-n heterojunction is fabricated by implanting beryllium （Be） ions into the BN films deposited by rf sputtering on n-type Si （111） substrates. The FTIR observations indicate that the...A boron nitride （BN）/silicon p-n heterojunction is fabricated by implanting beryllium （Be） ions into the BN films deposited by rf sputtering on n-type Si （111） substrates. The FTIR observations indicate that the films deposited have a mixed phase composition of 8p^2 - and sp^3 -hybridized BN. Considering the thickness of the BN layer, the ion implantation is conducted at an ion energy of 100keV with the dose of 5×10^15 cm^-2. After annealing at a high temperature, the surface resistance of the BN film decreases significantly by 6 orders down to 1.2×10^5Ω. Space-charge-limited current characteristic, which indicates the existence of shallow traps in the film, is observed. Current-voltage measurements across the BN film and the Si substrate reveal a clear rectification feature, demonstrating the achievement of p-type doping of BN films by Be ion implantation.展开更多
We report a new diamond synthesis process in which cubic boron nitride single crystals are used as seeds, FesoNi20 alloy powder is used as catalyst/solvent and natural flake-like graphite is used as the carbon source....We report a new diamond synthesis process in which cubic boron nitride single crystals are used as seeds, FesoNi20 alloy powder is used as catalyst/solvent and natural flake-like graphite is used as the carbon source. The samples are investigated using laser Raman spectra and x-ray diffraction （XRD）. Morphology of the sample is observed by a scanning electron microscope （SEM）. Based on the measurement results, we conclude that diamond single crystals have grown on the cBN crystal seeds under the conditions of high temperature 1230℃ and high pressure 4.8 GPa. This work provides an original method for synthesis of high quality hereto-semiconductor with cBN and diamond single crystals, and paves the way for future development.展开更多
We have investigated the structural and electronic characteristics of hydrogenated boron-nitride bilayer（H–BNBN–H） using first-principles calculations. The results show that hydrogenation can significantly reduce ...We have investigated the structural and electronic characteristics of hydrogenated boron-nitride bilayer（H–BNBN–H） using first-principles calculations. The results show that hydrogenation can significantly reduce the energy gap of the BN–BN into the visible-light region. Interestingly, the electric field induced by the interface dipoles helps to promote the formation of well-separated electron–hole pairs, as demonstrated by the charge distribution of the VBM and CBM.Moreover, the applied bias voltage on the vertical direction of the bilayer could modulate the band gap, resulting in transition from semiconductor to metal. We conclude that H–BNBN–H could improve the solar energy conversion efficiency, which may provide a new way for tuning the electronic devices to meet different environments and demands.展开更多
The transport properties of hexagonal boron-nitride nanoribbons under the uniaxial strain are investigated by the Green＇s function method. We find that the transport properties of armchair boron-nitride nanoribbon st...The transport properties of hexagonal boron-nitride nanoribbons under the uniaxial strain are investigated by the Green＇s function method. We find that the transport properties of armchair boron-nitride nanoribbon strongly depend on the strain. In particular, the features of the conductance steps such as position and width are significantly changed by strain. As a strong tensile strain is exerted on the nanoribbon, the highest conductance step disappears and subsequently a dip emerges instead. The energy band structure and the local current density of armchair boron nitride nanoribbon under strain are calculated and analysed in detail to explain these characteristics. In addition, the effect of strain on the conductance of zigzag boron-nitride nanoribbon is weaker than that of armchair boron nitride nanoribbon.展开更多
The valence band offsets of the strained and longitudinally relaxed diamond/cubic boron-nitride （c-BN） （110） superlattice are investigated by the plane wave density functional theory approach and using the on-site...The valence band offsets of the strained and longitudinally relaxed diamond/cubic boron-nitride （c-BN） （110） superlattice are investigated by the plane wave density functional theory approach and using the on-site core electron as a reference energy level. For the strained diamond/c-BN superlattice, the valence band offset of around 1.50 eV is in good agreement with those using all the electrons methods. As for the longitudinally relaxed superlattice, the valence band offset of around 1.28 eV is smaller than that of the strained superlattice. The reason for this is mainly due to the split of the valence band maximum caused by the anisotropic strain.展开更多
文摘The field emission from pure boron-nitride nanotube and boron-nitride nanotube encapsu- lated with natrium atoms with the electric field perpendicular to the axis of nanotubes is simulated based on a self-consistent method using the density-functional formalism. It has been found that the nearly-free-electron states in boron-nitride nanotube would perform very well in field emissions after natrium atom encapsulation. The characters of total energy distribution curves are analyzed to seek the function of nearly-free-electron states in the field emission, with special attention to response of the emission current to the external electric field. At last, the perpendicular emission geometry is found to possess a very sensitive response degree which is supposed to be related to specific expansion orientation of the nearly-free-electron states in this system.
文摘ABSTRACT In this work we conducted classical molecular dynamics(MD)simulation to investigate the mechanical characteristics and failure mechanism of hexagonal boron-nitride(h-BN)nanosheets.Pristine and defective structure of h-BN nanosheets were considered under the uniaxial tensile loadings at various temperatures.The defective structure contains three types of the most common initial defects in engineering materials that are known as cracks,notches(with various length/size),and point vacancy defects(with a wide range of concentration).MD simulation results demonstrate a high load-bearing capacity of extremely defective(amorphized)h-BN nanosheets.Our results also reveal that the tensile strength decline by increasing the defect content and temperature as well.Our MD results provide a comprehensive and useful vision concerning the mechanical properties ofh-BN nanosheets with/without defects,which is very critical for the designing of nanodevices exploiting the exceptional physics of h-BN.
基金Supported by the National Natural Science Foundation of China under Grant No 60376007, the Research Grants Council of the Hong Kong Special Administrative Region of China under Grant Nos CityU 122805 and CityU 123806, and Beijing Natural Science Foundation under Grant No 4072007.
文摘A boron nitride （BN）/silicon p-n heterojunction is fabricated by implanting beryllium （Be） ions into the BN films deposited by rf sputtering on n-type Si （111） substrates. The FTIR observations indicate that the films deposited have a mixed phase composition of 8p^2 - and sp^3 -hybridized BN. Considering the thickness of the BN layer, the ion implantation is conducted at an ion energy of 100keV with the dose of 5×10^15 cm^-2. After annealing at a high temperature, the surface resistance of the BN film decreases significantly by 6 orders down to 1.2×10^5Ω. Space-charge-limited current characteristic, which indicates the existence of shallow traps in the film, is observed. Current-voltage measurements across the BN film and the Si substrate reveal a clear rectification feature, demonstrating the achievement of p-type doping of BN films by Be ion implantation.
基金Supported by the National Natural Science Foundation of China under Grant Nos 50572032 and 50731006.
文摘We report a new diamond synthesis process in which cubic boron nitride single crystals are used as seeds, FesoNi20 alloy powder is used as catalyst/solvent and natural flake-like graphite is used as the carbon source. The samples are investigated using laser Raman spectra and x-ray diffraction （XRD）. Morphology of the sample is observed by a scanning electron microscope （SEM）. Based on the measurement results, we conclude that diamond single crystals have grown on the cBN crystal seeds under the conditions of high temperature 1230℃ and high pressure 4.8 GPa. This work provides an original method for synthesis of high quality hereto-semiconductor with cBN and diamond single crystals, and paves the way for future development.
基金Project supported by the National Natural Science Foundation of China(Grant No.11574167)
文摘We have investigated the structural and electronic characteristics of hydrogenated boron-nitride bilayer（H–BNBN–H） using first-principles calculations. The results show that hydrogenation can significantly reduce the energy gap of the BN–BN into the visible-light region. Interestingly, the electric field induced by the interface dipoles helps to promote the formation of well-separated electron–hole pairs, as demonstrated by the charge distribution of the VBM and CBM.Moreover, the applied bias voltage on the vertical direction of the bilayer could modulate the band gap, resulting in transition from semiconductor to metal. We conclude that H–BNBN–H could improve the solar energy conversion efficiency, which may provide a new way for tuning the electronic devices to meet different environments and demands.
基金Project supported by the Cultivation Fund of the Key Scientific and Technical Innovation Project,Ministry of Education of China(Grant No.708068)the Specialized Research Fund for the Doctoral Program of Higher Education,Ministry of Education of China(Grant No.200805301001)the Open Fund based on Innovation Platform of Hunan Colleges and Universities,China (Grant No.09K034)
文摘The transport properties of hexagonal boron-nitride nanoribbons under the uniaxial strain are investigated by the Green＇s function method. We find that the transport properties of armchair boron-nitride nanoribbon strongly depend on the strain. In particular, the features of the conductance steps such as position and width are significantly changed by strain. As a strong tensile strain is exerted on the nanoribbon, the highest conductance step disappears and subsequently a dip emerges instead. The energy band structure and the local current density of armchair boron nitride nanoribbon under strain are calculated and analysed in detail to explain these characteristics. In addition, the effect of strain on the conductance of zigzag boron-nitride nanoribbon is weaker than that of armchair boron nitride nanoribbon.
基金supported by the National Natural Science Foundation of China (Grant No.60877017)the Innovation Program of Shanghai Municipal Education Commission (Grant No.08YZ04)the Shanghai Leading Academic Discipline Project (Grant No.S30107)
文摘The valence band offsets of the strained and longitudinally relaxed diamond/cubic boron-nitride （c-BN） （110） superlattice are investigated by the plane wave density functional theory approach and using the on-site core electron as a reference energy level. For the strained diamond/c-BN superlattice, the valence band offset of around 1.50 eV is in good agreement with those using all the electrons methods. As for the longitudinally relaxed superlattice, the valence band offset of around 1.28 eV is smaller than that of the strained superlattice. The reason for this is mainly due to the split of the valence band maximum caused by the anisotropic strain.
