We describe the fabrication of high performance YBa2Cu3O7-δ （YBCO） radio frequency （RF） superconducting quantum interference devices （SQUIDs）, which were prepared on 5 mm×5 mm LaAlO3 （LAO） substrates by ...We describe the fabrication of high performance YBa2Cu3O7-δ （YBCO） radio frequency （RF） superconducting quantum interference devices （SQUIDs）, which were prepared on 5 mm×5 mm LaAlO3 （LAO） substrates by employing stepedge junctions （SEJs） and in flip-chip configuration with 12 mm×12 mm resonators. The step in the substrate was produced by Ar ion etching with step angles ranging from 47° to 61°, which is steep enough to ensure the formation of grain boundaries （GBs） at the step edges. The YBCO film was deposited using the pulsed laser deposition （PLD） technique with a film thickness half of the height of the substrate step. The inductance of the SQUID washer was designed to be about 157 pH. Under these circumstances, high performance YBCO RF SQUIDs were successfully fabricated with a typical flux-voltage transfer ratio of 83 mV/φ0, a white flux noise of 29 μφ0/√Hz, and the magnetic field sensitivity as high as 80 fT/√Hz. These devices have been applied in magnetocardiography and geological surveys.展开更多
Using geometry optimization and DFT method at the B3LYP/6-31G* level for C20H10, an equilibrium geometry is identified to have the form of polyhedral hydrocarbon with five carbon-carbon single bonds linking two pentap...Using geometry optimization and DFT method at the B3LYP/6-31G* level for C20H10, an equilibrium geometry is identified to have the form of polyhedral hydrocarbon with five carbon-carbon single bonds linking two pentaprismane cages. Thus, C20H10 is a tri-cage molecule with three pentaprismane cages. Vibrational frequencies and infrared spectrum are computed at the same level. The heat of formation for this molecule has also been estimated in this paper.展开更多
Geometries, energies, and vibrational frequencies for two C4N12O4 isomers with pagodane- and isopagodane-like structures have been calculated at the B3LYP/6-31G＊ level.Isomers 1 and 2 are of D2h and D2d symmetry, res...Geometries, energies, and vibrational frequencies for two C4N12O4 isomers with pagodane- and isopagodane-like structures have been calculated at the B3LYP/6-31G＊ level.Isomers 1 and 2 are of D2h and D2d symmetry, respectively. Heats of formation for the two C4N12O4 isomers have been estimated in this paper, indicating they would be reasonable candidates for high energy density materials.展开更多
The molecule with Th symmetry is rare.A dodecahedrane-like molecule C12H12B8 with uncommon Th symmetry has been reported here.Density functional calculations and minimization techniques have been employed to character...The molecule with Th symmetry is rare.A dodecahedrane-like molecule C12H12B8 with uncommon Th symmetry has been reported here.Density functional calculations and minimization techniques have been employed to characterize its structural and electronic properties.Its geometry,electronic properties,vibrational frequencies and heat of formation have been calculated at the B3LYP/6-311＋G（d,p） level of theory.The absence of imaginary vibrational frequency confirms that it corresponds to true minimum on the potential energy hypersurface.Its vibrational bands in the IR intensity have been discussed and compared with future experimental identification.At the B3LYP/6-311＋G（d,p） level,the heat of formation has been calculated to be 720.9 kJ mol^-1 using the isodesmic reaction.According to this value,it is a potential high energy density molecule.展开更多
The effects of buried oxide(BOX)layer on the capacitance of SiGe heterojunction photo-transistor(HPT),including the collector-substrate capacitance,the base-collector capacitance,and the base-emitter capacitance,are s...The effects of buried oxide(BOX)layer on the capacitance of SiGe heterojunction photo-transistor(HPT),including the collector-substrate capacitance,the base-collector capacitance,and the base-emitter capacitance,are studied by using a silicon-on-insulator(SOI)substrate as compared with the devices on native Si substrates.By introducing the BOX layer into Si-based SiGe HPT,the maximum photo-characteristic frequency ft,opt of SOI-based SiGe HPT reaches up to 24.51 GHz,which is 1.5 times higher than the value obtained from Si-based SiGe HPT.In addition,the maximum optical cut-off frequency fβ,opt,namely its 3-dB bandwidth,reaches up to 1.13 GHz,improved by 1.18 times.However,with the increase of optical power or collector current,this improvement on the frequency characteristic from BOX layer becomes less dominant as confirmed by reducing the 3-dB bandwidth of SOI-based SiGe HPT which approaches to the 3-dB bandwidth of Si-based SiGe HPT at higher injection conditions.展开更多
Using geometry optimization and DFT method at the B3LYP/6-31G* level for C15H10, an equilibrium geometry was identified to have bilayer pentaprismane formed by two pentaprismane cages sharing the same pentagon. The vi...Using geometry optimization and DFT method at the B3LYP/6-31G* level for C15H10, an equilibrium geometry was identified to have bilayer pentaprismane formed by two pentaprismane cages sharing the same pentagon. The vibrational frequencies and infrared spectrum were computed at the same level, and the heat of formation was also estimated.展开更多
The molecule with Th symmetry is rare. Two C60-1ike molecules C48N12 and C48B12 with rare Th symmetry have been reported here, which is an approach to seek for the molecule with rare Th symmetry. Their structural, ele...The molecule with Th symmetry is rare. Two C60-1ike molecules C48N12 and C48B12 with rare Th symmetry have been reported here, which is an approach to seek for the molecule with rare Th symmetry. Their structural, electronic, vibrational, NMR, and thermodynamic properties have been calculated at the B3LYP/6-31G（d） level of theory. Vibrational modes have been assigned according to their symmetry. They all have 73 independent vibrational modes： 22 IR-active modes with Tu symmetry and 37 Raman-active modes with Ag, Eg and Tg symmetry, respectively. The heats of formation have been calculated using isodesmic reactions, and the values of C48N12 and C48B12 are 3812.0 and 3423.8 kJ mo1-1, respectively. According to the estimated band gaps for their fcc solid, they are all semiconducting materials, like C60, especially C48B12-based fcc solid.展开更多
基金supported by the National Basic Research Program of China(Grant No.2011CBA00106)the National Natural Science Foundation of China(Grant No.11074008)the Research Fund for the Doctoral Program of Higher Education,China(Grant No.20100001120006)
文摘We describe the fabrication of high performance YBa2Cu3O7-δ （YBCO） radio frequency （RF） superconducting quantum interference devices （SQUIDs）, which were prepared on 5 mm×5 mm LaAlO3 （LAO） substrates by employing stepedge junctions （SEJs） and in flip-chip configuration with 12 mm×12 mm resonators. The step in the substrate was produced by Ar ion etching with step angles ranging from 47° to 61°, which is steep enough to ensure the formation of grain boundaries （GBs） at the step edges. The YBCO film was deposited using the pulsed laser deposition （PLD） technique with a film thickness half of the height of the substrate step. The inductance of the SQUID washer was designed to be about 157 pH. Under these circumstances, high performance YBCO RF SQUIDs were successfully fabricated with a typical flux-voltage transfer ratio of 83 mV/φ0, a white flux noise of 29 μφ0/√Hz, and the magnetic field sensitivity as high as 80 fT/√Hz. These devices have been applied in magnetocardiography and geological surveys.
基金This work was supported by the Natural Science Foundation of Shandong Province (Y2002G11)
文摘Using geometry optimization and DFT method at the B3LYP/6-31G* level for C20H10, an equilibrium geometry is identified to have the form of polyhedral hydrocarbon with five carbon-carbon single bonds linking two pentaprismane cages. Thus, C20H10 is a tri-cage molecule with three pentaprismane cages. Vibrational frequencies and infrared spectrum are computed at the same level. The heat of formation for this molecule has also been estimated in this paper.
基金This work was supported by the Natural Science Foundation of Shandong Province (Y2002G11)
文摘Geometries, energies, and vibrational frequencies for two C4N12O4 isomers with pagodane- and isopagodane-like structures have been calculated at the B3LYP/6-31G＊ level.Isomers 1 and 2 are of D2h and D2d symmetry, respectively. Heats of formation for the two C4N12O4 isomers have been estimated in this paper, indicating they would be reasonable candidates for high energy density materials.
基金supported by the Natural Science Foundation of Shandong Province (No. ZR2011BM022)
文摘The molecule with Th symmetry is rare.A dodecahedrane-like molecule C12H12B8 with uncommon Th symmetry has been reported here.Density functional calculations and minimization techniques have been employed to characterize its structural and electronic properties.Its geometry,electronic properties,vibrational frequencies and heat of formation have been calculated at the B3LYP/6-311＋G（d,p） level of theory.The absence of imaginary vibrational frequency confirms that it corresponds to true minimum on the potential energy hypersurface.Its vibrational bands in the IR intensity have been discussed and compared with future experimental identification.At the B3LYP/6-311＋G（d,p） level,the heat of formation has been calculated to be 720.9 kJ mol^-1 using the isodesmic reaction.According to this value,it is a potential high energy density molecule.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.61604106,61774012,and 61901010)the Beijing Future Chip Technology High Precision Innovation Center Research Fund,China(Grant No.KYJJ2016008)+1 种基金the Beijing Municipal Natural Science Foundation,China(Grant No.4192014)the Municipal Natural Science Foundation of Shangdong Province,China(Grant No.ZR2014FL025).
文摘The effects of buried oxide(BOX)layer on the capacitance of SiGe heterojunction photo-transistor(HPT),including the collector-substrate capacitance,the base-collector capacitance,and the base-emitter capacitance,are studied by using a silicon-on-insulator(SOI)substrate as compared with the devices on native Si substrates.By introducing the BOX layer into Si-based SiGe HPT,the maximum photo-characteristic frequency ft,opt of SOI-based SiGe HPT reaches up to 24.51 GHz,which is 1.5 times higher than the value obtained from Si-based SiGe HPT.In addition,the maximum optical cut-off frequency fβ,opt,namely its 3-dB bandwidth,reaches up to 1.13 GHz,improved by 1.18 times.However,with the increase of optical power or collector current,this improvement on the frequency characteristic from BOX layer becomes less dominant as confirmed by reducing the 3-dB bandwidth of SOI-based SiGe HPT which approaches to the 3-dB bandwidth of Si-based SiGe HPT at higher injection conditions.
基金This work was supported by the Natural Science Foundation of Shandong Province (Y2002G11)
文摘Using geometry optimization and DFT method at the B3LYP/6-31G* level for C15H10, an equilibrium geometry was identified to have bilayer pentaprismane formed by two pentaprismane cages sharing the same pentagon. The vibrational frequencies and infrared spectrum were computed at the same level, and the heat of formation was also estimated.
基金supported by the Natural Science Foundation of Shandong Province (No. ZR2011BM022)
文摘The molecule with Th symmetry is rare. Two C60-1ike molecules C48N12 and C48B12 with rare Th symmetry have been reported here, which is an approach to seek for the molecule with rare Th symmetry. Their structural, electronic, vibrational, NMR, and thermodynamic properties have been calculated at the B3LYP/6-31G（d） level of theory. Vibrational modes have been assigned according to their symmetry. They all have 73 independent vibrational modes： 22 IR-active modes with Tu symmetry and 37 Raman-active modes with Ag, Eg and Tg symmetry, respectively. The heats of formation have been calculated using isodesmic reactions, and the values of C48N12 and C48B12 are 3812.0 and 3423.8 kJ mo1-1, respectively. According to the estimated band gaps for their fcc solid, they are all semiconducting materials, like C60, especially C48B12-based fcc solid.
