A supercell of a nanotube heterojunction formed by an (8, 0) carbon nanotube (CNT) and an (8, 0) silicon carbide nanotube (SiCNT) is established, in which 96 C atoms and 32 Si atoms are included. The geometry ...A supercell of a nanotube heterojunction formed by an (8, 0) carbon nanotube (CNT) and an (8, 0) silicon carbide nanotube (SiCNT) is established, in which 96 C atoms and 32 Si atoms are included. The geometry optimization and the electronic property of the heterojunction are implemented through the first-principles calculation based on the density functional theory (DFT). The results indicate that the structural rearrangement takes place mainly on the interface and the energy gap of the heterojunction is 0.31 eV, which is narrower than those of the isolated CNT and the isolated SiCNT. By using the average bond energy method, the valence band offset and the conduction band offset are obtained as 0.71 and -0.03 eV, respectively.展开更多
The ternary alloy heterojunctions In<sub>x</sub>Ga<sub>1-x</sub>As/In<sub>x</sub>Al<sub>1-x</sub>As are important materialswhich have been widely used in microwave and p...The ternary alloy heterojunctions In<sub>x</sub>Ga<sub>1-x</sub>As/In<sub>x</sub>Al<sub>1-x</sub>As are important materialswhich have been widely used in microwave and photoelectric devices.The alloy hetero-junctions In<sub>x</sub>Ga<sub>1-x</sub>As/In<sub>x</sub>Al<sub>1-x</sub>As(x=0.3)have great potential use in high electron mobili-ty transistors(HEMTs),heterostructure insulated-gate FFTs(HIGFETs)and resonant tun-neling diodes(RTDs).When x rises to 0.53,In<sub>x</sub>Ga<sub>1-x</sub>As/In<sub>x</sub>Al<sub>1-x</sub>As can be widely used inthe high-speed electronic devices.The valence-band offset(the value of ΔE<sub>v</sub>展开更多
基金supported by the National Defense Pre-research Foundation of China (Grant No 9140A08060407DZ0103)
文摘A supercell of a nanotube heterojunction formed by an (8, 0) carbon nanotube (CNT) and an (8, 0) silicon carbide nanotube (SiCNT) is established, in which 96 C atoms and 32 Si atoms are included. The geometry optimization and the electronic property of the heterojunction are implemented through the first-principles calculation based on the density functional theory (DFT). The results indicate that the structural rearrangement takes place mainly on the interface and the energy gap of the heterojunction is 0.31 eV, which is narrower than those of the isolated CNT and the isolated SiCNT. By using the average bond energy method, the valence band offset and the conduction band offset are obtained as 0.71 and -0.03 eV, respectively.
基金Project supported by the National Natural Science Foundation of Chinathe Industrial Department of Xiamen Photoelectron Company.
文摘The ternary alloy heterojunctions In<sub>x</sub>Ga<sub>1-x</sub>As/In<sub>x</sub>Al<sub>1-x</sub>As are important materialswhich have been widely used in microwave and photoelectric devices.The alloy hetero-junctions In<sub>x</sub>Ga<sub>1-x</sub>As/In<sub>x</sub>Al<sub>1-x</sub>As(x=0.3)have great potential use in high electron mobili-ty transistors(HEMTs),heterostructure insulated-gate FFTs(HIGFETs)and resonant tun-neling diodes(RTDs).When x rises to 0.53,In<sub>x</sub>Ga<sub>1-x</sub>As/In<sub>x</sub>Al<sub>1-x</sub>As can be widely used inthe high-speed electronic devices.The valence-band offset(the value of ΔE<sub>v</sub>