检索结果-南通市图书馆

Comparison study of the charge density distribution induced by heavy ions and pulsed lasers in silicon

在线全文

学校读者我要写书评

暂无评论

Chinese Physics C 2010年第1期34卷 148-151页

作者：田恺曹洲薛玉雄杨世 Lanzhou Institute of Physics National Laboratory of Vacuum & Cryogenics Technology and Physics

Heavy ions and pulsed lasers are important means to simulate the ionization damage effects on semiconductor materials. The analytic solution of high-energy heavy ion energy loss in silicon has been obtained using the Bethe-Bloch formula and the Kobetich-Katz theory, and some ionization damage parameters of Fe ions in silicon, such as the track structure and ionized charge density distribution, have been calculated and analyzed according to the theoretical calculation results. Using the Gaussian function and Beer＇s law, the parameters of the track structure and charge density distribution induced by a pulsed laser in silicon have also been calculated and compared with those of Fe ions in silicon, which provides a theoretical basis for ionization damage effect modeling.

关键词： heavy ion pulsed laser charge density distribution

Electronic structure of twinned ZnS nanowires

在线全文

学校读者我要写书评

暂无评论

Chinese Physics B 2011年第6期20卷 361-365页

作者：李登峰李柏林肖海燕董会宁 Department of Mathematics and Physics Chongqing University of Posts and Telecommunications Department of Applied Physics University of Electronic Science and Technology of China

The electronic properties of twinned ZnS nanowires （NWs） with different diameters were investigated based on first-principles calculations. The energy band structures, projected density of states and the spatial distributions of the bottom of conduction band and the top of the valence band were presented. The results show that the twinned nanowires exhibit a semiconducting character and the band gap decreases with increasing nanowire diameter due to quantum confinement effects. The valence band maximum and conduction band minimum originate mainly from the S-p and Zn-s orbitals at the core of the nanowires, respectively, which was confirmed by their spatial charge density distribution. We also found that no heterostructure is formed in the twinned ZnS NWs since the valence band maximum and conduction band minimum states are distributed along the NW axis uniformly. We suggest that the hexagonal （2H） stacking inside the cubic （3C） stacking has no effect on the electronic properties of thin ZnS NWs.

关键词： ZnS nanowires twin plane density of states charge density distribution density functional theory

First-principle Calculation of the Properties of Ti_3SiC_2

在线全文

学校读者我要写书评

暂无评论

Journal of Materials Science & Technology 2002年第2期18卷 146-148页

作者： DuanwenSHI YanchunZHOU InternationalCentreforMaterialsPhysics InstituteofMetalResearchChineseAcademyofSciencesShenyang110016China CeramicandCompositeDepartmnent InstituteofMetalResearchChineseAcademy

The electronic and structural properties for Ti3SiC2 were studied using the first-principle calculation method. By using the calculated band structure and density of states, the high electrical conductivity of Ti3SiC2... 详细信息

关键词： First-principle calculation Ti3SiC2 charge density distribution

Orbital responses to methyl sites in C_nH_(2n+2) (n=1-6)

在线全文

学校读者我要写书评

暂无评论

Chinese Physics B 2012年第2期21卷 16-22页

作者： Yang Ze-Jin Cheng Xin-Lu Zhu Zhen-He Yang Xiang-Dong School of Science Zhejiang University of TechnologyHangzhou 310023China Institute of Atomic and Molecular Physics Sichuan UniversityChengdu 610065China

Orbital responses to methyl sites in CnH2n＋2 （n = 1-6） are studied by B3LYP/TZVP based on the most stable geometries using the B3LYP/aug-cc-pVTZ method. Vertical ionization energies are produced using the SAOP/et-pVQZ model for the complete valence space. The highest occupied molecular orbital （HOMO） investigations indicate the p- electron profiles in methane, ethane, propane, and n-butane. By increasing the number of carbon-carbon bonds in lower momentum regions, the s, p-hybridized orbitals are built and display strong exchange and correlation interactions in lower momentum space （P 〈 0.50 a.u.）. Meanwhile, the relative intensities of the isomers in lower momentum space show the strong bonding number dependence of the carbon-carbon bonds, meaning that more electrons have contributed to orbital construction. The study of representative valence orbital momentum distribution further confirms that the structural changes lead to evident electronic rearrangement over the whole valence space. An analysis based on the isomers reveals that the valence orbitals are isomer-dependent and the valence ionization energy experiences an apparent shift in the inner valence space. However, such shifts are greatly reduced in the outer valence space. Meanwhile, the opposite energy shift trend is found in the intermediate valence space.

关键词： electron momentum spectroscopy valence ionization energy charge density distribution

Orbital responses to methyl sites in C_nH2n+2 （n=1-6）

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Chinese Physics B 2012年第2期21卷 28-34页

作者：杨则金程新路朱正和杨向东 School of Science Zhejiang University of Technology Institute of Atomic and Molecular Physics Sichuan University

Orbital responses to methyl sites in C_nH2n+2（n=1-6） are studied by B3LYP/TZVP based on the most stable geometries using the B3LYP/aug-cc-pVTZ *** ionization energies are produced using the SAOP/et-pVQZ model for the complete valence *** highest occupied molecular orbital （HOMO） investigations indicate the pelectron profiles in methane,ethane,propane,and *** increasing the number of carbon-carbon bonds in lower momentum regions,the s,p-hybridized orbitals are built and display strong exchange and correlation interactions in lower momentum space （Pdistribution further confirms that the structural changes lead to evident electronic rearrangement over the whole valence *** analysis based on the isomers reveals that the valence orbitals are isomer-dependent and the valence ionization energy experiences an apparent shift in the inner valence ***,such shifts are greatly reduced in the outer valence ***,the opposite energy shift trend is found in the intermediate valence space.

关键词： electron momentum spectroscopy valence ionization energy charge density distribution