Theories of Mott and Weertmann pertaining to quantum mechanical tunneling of dislocations from Peierls barrier in cubic crystals are revisited. Their mathematical calculations about logarithmic creep rate and lattice ...Theories of Mott and Weertmann pertaining to quantum mechanical tunneling of dislocations from Peierls barrier in cubic crystals are revisited. Their mathematical calculations about logarithmic creep rate and lattice vibrations as a manifestation of Debye temperature for quantized thermal energy are found correct but they can not ascertain to choose the mass of phonon or “quanta” of lattice vibrations. The quantum mechanical yielding in metals at relatively low temperatures, where Debye temperatures operate, is resolved and the mathematical formulas are presented. The crystal plasticity is studied with stress relaxation curves instead of logarithmic creep rate. With creep rate formulas of Mott and Weertmann, a new formula based on logarithmic profile of stress relaxation curves is proposed which suggests simultaneous quantization of dislocations with their stress, i.e., and depinning of dislocations, i.e., , where is quantum action, σ is the stress, N is the number of dislocations, A is the area and t is the time. The two different interpretations of “quantum length of Peierls barrier”, one based on curvature of space, i.e., yields quantization of Burgers vector and the other based on the curvature of time, i.e., yields depinning of dislocations from Peierls barrier in cubic crystals, are presented. , i.e., the unitary operator on shear modulus yields the variations in the curvature of time due to which simultaneous quantization, and depinning of dislocations occur from Peierls barrier in cubic crystals.展开更多
Semiconducting monolayer （ML） blue phosphorene （BlueP） shares similar stability with ML black phosphorene （BP）, and it has recently been grown on an Au surface. Potential ML BlueP devices often require direct co...Semiconducting monolayer （ML） blue phosphorene （BlueP） shares similar stability with ML black phosphorene （BP）, and it has recently been grown on an Au surface. Potential ML BlueP devices often require direct contact with metal to enable the injection of carriers. Using ab initio electronic structure calculations and quantum transport simulations, for the first time, we perform a systematic study of the interfacial properties of ML BlueP in contact with metals spanning a wide work function range in a field effect transistor （FET） configuration. ML BlueP has undergone metallization owing to strong interaction with five metals. There is a strong Fermi level pinning （FLP） in the ML BlueP FETs due to the metal-induced gap states （MIGS） with a pinning factor of 0.42. ML BlueP forms n-type Schottky contact with Sc, Ag, and Pt electrodes with electron Schottky barrier heights （SBHs） of 0.22, 0.22, and 0.80 eV, respectively, and p-type Schottky contact with Au and Pd electrodes with hole SBHs of 0.61 and 0.79 eV, respectively. The MIGS are eliminated by inserting graphene between ML BlueP and the metal electrode, accompanied by a transition from a strong FLP to a weak FLP. Our study not only provides insight into the ML BlueP-metal interfaces, but also helps in the design of ML BlueP devices.展开更多
The effect of different kinds of cap layers on optical property of InAs quantum dots （QDs） on GaAs （100） substrate was studied. Temperature dependent photoluminescence （PL） indicates that the PL integrated inten...The effect of different kinds of cap layers on optical property of InAs quantum dots （QDs） on GaAs （100） substrate was studied. Temperature dependent photoluminescence （PL） indicates that the PL integrated intensity from the ground state of InAs QDs capped with an intermediate InAIAs layer drops very little as compared to QDs capped with a thin InGaAs or GaAs cap layer from 15 K up to room temperature. PL integrated intensity ratio of the first excited to ground states for InAs QDs capped with an intermediate InAIAs layer is unexpectedly decreased with increasing temperature, which are attributed to phonon bottleneck effect. A virtual barrier is proposed to describe this physics process and shows good agreement with experimental results when fitting the curve with the value of the virtual barrier 30 meV.展开更多
A systematic spectral analysis was presented for bishemicyanine dyes(Hsd and D2)and monohemicyanine dyes(Hs and DSMI).The bishemicyanine dyes displayed long emission wavelengths,large Stokes shifts,low background quan...A systematic spectral analysis was presented for bishemicyanine dyes(Hsd and D2)and monohemicyanine dyes(Hs and DSMI).The bishemicyanine dyes displayed long emission wavelengths,large Stokes shifts,low background quantum yields in aqueous solutions and high sensitivity in viscous environments.Better understanding of the structure-property relationships could benefit the design of improved dyes.Computational studies on these dyes revealed the three conjugated forms of bishemicyanines are in equilibrium due to two positive charges and a branched bulk substituent.Bishemicyanines possessed obviously lower rotating energy barrier of C-C bond rotation compared to the monohemicyanine dyes.Moreover,the synergetic effects of the rotation about theφ4 bond,φ5 bond andφ7 bond of the bishemicyanines(Hsd and D2)lead to lower fluorescence quantum yields in a free state and larger fluorescence quantum yield enhancements in viscous environment compared to that of monohemicyanine dyes(Hs and DSMI).The results demonstrate a foundation for interpretation of the behavior of the dyes,thus providing guidelines for future of new bishemicyanine fluorophores with specific applications.展开更多
Because of the helicity of electrons in HgTe quantum wells（QWs） with inverted band structures,the electrons cannot be confined by electric barriers since electrons can tunnel the barriers perfectly without backscatt...Because of the helicity of electrons in HgTe quantum wells（QWs） with inverted band structures,the electrons cannot be confined by electric barriers since electrons can tunnel the barriers perfectly without backscattering in the HgTe QWs.This behavior is similar to Dirac electrons in graphene.In this paper,we propose a scheme to confine carriers in HgTe QWs using an electric-magnetic barrier.We calculate the transmission of carriers in 2-dimensional HgTe QWs and find that the wave-vector filtering effect of local magnetic fields can confine the carriers.The confining effect will have a potential application in nanodevices based on HgTe QWs.展开更多
Nanoscale Schottky barrier metal oxide semiconductor field-effect transistors （MOSFETs） are explored by using quantum mechanism effects for thin-body devices. The results suggest that for small nonnegative Schottky ...Nanoscale Schottky barrier metal oxide semiconductor field-effect transistors （MOSFETs） are explored by using quantum mechanism effects for thin-body devices. The results suggest that for small nonnegative Schottky barrier heights, even for zero barrier height, the tunnelling current also plays a role in the total on-state current. Owing to the thin body of device, quantum confinement raises the electron energy levels in the silicon, and the tradeoff takes place between the quantum confinement energy and Schottky barrier lowering （SBL）. It is concluded that the inclusion of the quantum mechanism effect in this model, which considers an infinite rectangular well with a first-order perturbation in the channel, can lead to the good agreement with numerical result for thin silicon film. The error increases with silicon thickness increasing.展开更多
The effect of different barriers between green and blue light regions in dual wavelength light emitting diodes was studied. Compared with a traditional sample, electroluminescence and photoluminescence spectra of the ...The effect of different barriers between green and blue light regions in dual wavelength light emitting diodes was studied. Compared with a traditional sample, electroluminescence and photoluminescence spectra of the newly designed samples showed peak intensity improvements and smaller blue-shifts with increasing injection current level, and the bottom quantum-wells light emitting is enhanced. All these phenomena can be ascribed to reduced barrier thickness and indium doping in the quantum-barrier influencing electric fields and more holes injecting into the bottom QWs.展开更多
Tellurene, an emerging two-dimensional chain-like semiconductor, stands out for its high switch ratio, carrier mobility and excellent stability in air. Directly contacting the 2D semiconductor materials with metal ele...Tellurene, an emerging two-dimensional chain-like semiconductor, stands out for its high switch ratio, carrier mobility and excellent stability in air. Directly contacting the 2D semiconductor materials with metal electrodes is a feasible doping means to inject carriers. However, Schottky barrier often arises at the metal–semiconductors interface, impeding the transport of carriers. Herein, we investigate the interfacial properties of BL tellurene by contacting with various metals including graphene by using ab initio calculations and quantum transport simulations. Vertical Schottky barriers take place in Ag, Al, Au and Cu electrodes according to the maintenance of the noncontact tellurene layer band structure. Besides, a p-type vertical Schottky contact is formed due to the van der Waals interaction for graphene electrode. As for the lateral direction, p-type Schottky contacts take shape for bulk metal electrodes(hole Schottky barrier heights(SBHs) ranging from 0.19 to 0.35 eV). Strong Fermi level pinning takes place with a pinning factor of 0.02. Notably, a desirable p-type quasi-Ohmic contact is developed for graphene electrode with a hole SBH of 0.08 eV. Our work sheds light on the interfacial properties of BL tellurene based transistors and could guide the experimental selections on electrodes.展开更多
A infrared light trapping structure combining front subwavelength gratings and rear ZnO：Al nanoparticles for a PtSi Schottky-barrier detector over a 3-5 μm waveband is theoretically investigated. By selecting the pr...A infrared light trapping structure combining front subwavelength gratings and rear ZnO：Al nanoparticles for a PtSi Schottky-barrier detector over a 3-5 μm waveband is theoretically investigated. By selecting the proper plasmonic material and optimizing the parameters for the proposed structure, the absorption of the PtSi layer is dramatically improved. The theoretical results show that this improvement eventually translates into an equivalent external quantum efficiency （EQE） enhancement of 2.46 times at 3-3.6 μm and 2.38 times at 3.6-5 μm compared to conventional structures. This improvement in the EQE mainly lies in the increase of light path lengths witifin the PtSi layer by the subwavelength grating diffraction and nanoparticle-scattering effects.展开更多
文摘Theories of Mott and Weertmann pertaining to quantum mechanical tunneling of dislocations from Peierls barrier in cubic crystals are revisited. Their mathematical calculations about logarithmic creep rate and lattice vibrations as a manifestation of Debye temperature for quantized thermal energy are found correct but they can not ascertain to choose the mass of phonon or “quanta” of lattice vibrations. The quantum mechanical yielding in metals at relatively low temperatures, where Debye temperatures operate, is resolved and the mathematical formulas are presented. The crystal plasticity is studied with stress relaxation curves instead of logarithmic creep rate. With creep rate formulas of Mott and Weertmann, a new formula based on logarithmic profile of stress relaxation curves is proposed which suggests simultaneous quantization of dislocations with their stress, i.e., and depinning of dislocations, i.e., , where is quantum action, σ is the stress, N is the number of dislocations, A is the area and t is the time. The two different interpretations of “quantum length of Peierls barrier”, one based on curvature of space, i.e., yields quantization of Burgers vector and the other based on the curvature of time, i.e., yields depinning of dislocations from Peierls barrier in cubic crystals, are presented. , i.e., the unitary operator on shear modulus yields the variations in the curvature of time due to which simultaneous quantization, and depinning of dislocations occur from Peierls barrier in cubic crystals.
基金This work was supported by the National Natural Science Foundation of China （Nos. 11274016, 11474012, 11674005, 11274233, and 11664026）, the National Basic Research Program of China （Nos. 2013CB932604 and 2012CB619304）, Ministry of Science and Technology （National Materials Genome Project） of China （Nos. 2016YFA0301300 and 2016YFB0700600）, and Foundation of Henan Educational Committee （No. 17A430026）.
文摘Semiconducting monolayer （ML） blue phosphorene （BlueP） shares similar stability with ML black phosphorene （BP）, and it has recently been grown on an Au surface. Potential ML BlueP devices often require direct contact with metal to enable the injection of carriers. Using ab initio electronic structure calculations and quantum transport simulations, for the first time, we perform a systematic study of the interfacial properties of ML BlueP in contact with metals spanning a wide work function range in a field effect transistor （FET） configuration. ML BlueP has undergone metallization owing to strong interaction with five metals. There is a strong Fermi level pinning （FLP） in the ML BlueP FETs due to the metal-induced gap states （MIGS） with a pinning factor of 0.42. ML BlueP forms n-type Schottky contact with Sc, Ag, and Pt electrodes with electron Schottky barrier heights （SBHs） of 0.22, 0.22, and 0.80 eV, respectively, and p-type Schottky contact with Au and Pd electrodes with hole SBHs of 0.61 and 0.79 eV, respectively. The MIGS are eliminated by inserting graphene between ML BlueP and the metal electrode, accompanied by a transition from a strong FLP to a weak FLP. Our study not only provides insight into the ML BlueP-metal interfaces, but also helps in the design of ML BlueP devices.
文摘The effect of different kinds of cap layers on optical property of InAs quantum dots （QDs） on GaAs （100） substrate was studied. Temperature dependent photoluminescence （PL） indicates that the PL integrated intensity from the ground state of InAs QDs capped with an intermediate InAIAs layer drops very little as compared to QDs capped with a thin InGaAs or GaAs cap layer from 15 K up to room temperature. PL integrated intensity ratio of the first excited to ground states for InAs QDs capped with an intermediate InAIAs layer is unexpectedly decreased with increasing temperature, which are attributed to phonon bottleneck effect. A virtual barrier is proposed to describe this physics process and shows good agreement with experimental results when fitting the curve with the value of the virtual barrier 30 meV.
基金financially supported by the National Natural Science Foundation of China(No.21606118)the State Key Laboratory of Fine Chemicals(No.KF1614)。
文摘A systematic spectral analysis was presented for bishemicyanine dyes(Hsd and D2)and monohemicyanine dyes(Hs and DSMI).The bishemicyanine dyes displayed long emission wavelengths,large Stokes shifts,low background quantum yields in aqueous solutions and high sensitivity in viscous environments.Better understanding of the structure-property relationships could benefit the design of improved dyes.Computational studies on these dyes revealed the three conjugated forms of bishemicyanines are in equilibrium due to two positive charges and a branched bulk substituent.Bishemicyanines possessed obviously lower rotating energy barrier of C-C bond rotation compared to the monohemicyanine dyes.Moreover,the synergetic effects of the rotation about theφ4 bond,φ5 bond andφ7 bond of the bishemicyanines(Hsd and D2)lead to lower fluorescence quantum yields in a free state and larger fluorescence quantum yield enhancements in viscous environment compared to that of monohemicyanine dyes(Hs and DSMI).The results demonstrate a foundation for interpretation of the behavior of the dyes,thus providing guidelines for future of new bishemicyanine fluorophores with specific applications.
基金Project supported by the National Natural Science Foundation of China (Grant Nos. 10821403 and 11047131)the National Basic Research Program of China(Grant No. 2009CB929100)the Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20101303120005)
文摘Because of the helicity of electrons in HgTe quantum wells（QWs） with inverted band structures,the electrons cannot be confined by electric barriers since electrons can tunnel the barriers perfectly without backscattering in the HgTe QWs.This behavior is similar to Dirac electrons in graphene.In this paper,we propose a scheme to confine carriers in HgTe QWs using an electric-magnetic barrier.We calculate the transmission of carriers in 2-dimensional HgTe QWs and find that the wave-vector filtering effect of local magnetic fields can confine the carriers.The confining effect will have a potential application in nanodevices based on HgTe QWs.
基金Project supported by the National Natural Science Foundation of China (Grant No 60206006)the Program for New Century Excellent Talents of Ministry of Education of China (Grant No NCET-05-085)the Xi'an Applied Materials Innovation Fund (Grant No XA-AM-200701)
文摘Nanoscale Schottky barrier metal oxide semiconductor field-effect transistors （MOSFETs） are explored by using quantum mechanism effects for thin-body devices. The results suggest that for small nonnegative Schottky barrier heights, even for zero barrier height, the tunnelling current also plays a role in the total on-state current. Owing to the thin body of device, quantum confinement raises the electron energy levels in the silicon, and the tradeoff takes place between the quantum confinement energy and Schottky barrier lowering （SBL）. It is concluded that the inclusion of the quantum mechanism effect in this model, which considers an infinite rectangular well with a first-order perturbation in the channel, can lead to the good agreement with numerical result for thin silicon film. The error increases with silicon thickness increasing.
基金supported by the National Natural Science Foundation of China(No.61274040)
文摘The effect of different barriers between green and blue light regions in dual wavelength light emitting diodes was studied. Compared with a traditional sample, electroluminescence and photoluminescence spectra of the newly designed samples showed peak intensity improvements and smaller blue-shifts with increasing injection current level, and the bottom quantum-wells light emitting is enhanced. All these phenomena can be ascribed to reduced barrier thickness and indium doping in the quantum-barrier influencing electric fields and more holes injecting into the bottom QWs.
基金supported by the National Natural Science Foundation of China(Nos.11674005,11664026,11704406)the National Materials Genome Project of China(No2016YFB0700600)+4 种基金the Key Research and Development Program of Ningxia(No.2018BEE03023)the Natural Science Foundation of Ningxia(No.2018AAC03236)the Higher Schoo Scientific Research Project of Ningxia Department of Education(No.NGY2018-130)the Key Scientific Research Project of Ningxia Normal University(No.NXSFZDA1807)the Youth Talent Support Program of Ningxia,China(2016)
文摘Tellurene, an emerging two-dimensional chain-like semiconductor, stands out for its high switch ratio, carrier mobility and excellent stability in air. Directly contacting the 2D semiconductor materials with metal electrodes is a feasible doping means to inject carriers. However, Schottky barrier often arises at the metal–semiconductors interface, impeding the transport of carriers. Herein, we investigate the interfacial properties of BL tellurene by contacting with various metals including graphene by using ab initio calculations and quantum transport simulations. Vertical Schottky barriers take place in Ag, Al, Au and Cu electrodes according to the maintenance of the noncontact tellurene layer band structure. Besides, a p-type vertical Schottky contact is formed due to the van der Waals interaction for graphene electrode. As for the lateral direction, p-type Schottky contacts take shape for bulk metal electrodes(hole Schottky barrier heights(SBHs) ranging from 0.19 to 0.35 eV). Strong Fermi level pinning takes place with a pinning factor of 0.02. Notably, a desirable p-type quasi-Ohmic contact is developed for graphene electrode with a hole SBH of 0.08 eV. Our work sheds light on the interfacial properties of BL tellurene based transistors and could guide the experimental selections on electrodes.
基金supported by the National Natural Science Foundation of China(No.61471044)the Advanced Research Foundation of China(No.9140A02010114BQ01)
文摘A infrared light trapping structure combining front subwavelength gratings and rear ZnO：Al nanoparticles for a PtSi Schottky-barrier detector over a 3-5 μm waveband is theoretically investigated. By selecting the proper plasmonic material and optimizing the parameters for the proposed structure, the absorption of the PtSi layer is dramatically improved. The theoretical results show that this improvement eventually translates into an equivalent external quantum efficiency （EQE） enhancement of 2.46 times at 3-3.6 μm and 2.38 times at 3.6-5 μm compared to conventional structures. This improvement in the EQE mainly lies in the increase of light path lengths witifin the PtSi layer by the subwavelength grating diffraction and nanoparticle-scattering effects.
