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Electrostatic and Conformational Effects on the Electronic Structures of Distortional Isomers of a Mixed-Valence Binuclear Cu Complex
Electrostatic Conformational Electronic Structures Distortional Isomers Mixed-Valence Binuclear Cu Complex
2016/5/23
The electronic structure of the binuclear copper complex [Cu(2)(L)](3+) [L = N(CH(2)CH(2)N(H)CH(2)CH(2)N(H)CH(2)CH(2))(3)N] has been investigated by resonance Raman and electroabsorption spectroscopy....
New Hydrocarbon Superconductor on the Verge of Metal-Insulator Transition: Electronic Structures and Magnetic Properties of K3picene
New Hydrocarbon Superconductor Verge of Metal-Insulator Transition: Electronic Structures Magnetic Properties of K3picene
2010/11/22
We have investigated the electronic structures and magnetic properties of of K3picene, which
is a first hydrocarbon superconductor with high transition temperature Tc=18K. We have shown
that the met...
Electronic structures and three-dimensional effects of boron-doped carbon nanotubes
boron doping carbon nanotubes superconductivity density functional theory
2010/10/12
We study boron-doped carbon nanotubes by first-principles methods based on the density
functional theory. To discuss the possibility of superconductivity, we calculate the electronic
band structure ...
Electronic structures of one-dimensional poly-fused selenophene radical cations:density functional theory study
fused selenophene conjugated oligomer molecular design DFT PBC
2010/10/12
Hybrid density functional theory (DFT) calculations have been carried out for neutral and
radical cation species of a fused selenophene oligomer, denoted by Se(n), where n represents
the number of s...
First-Principles Studies for the Electronic Structures of Diluted
Magnetic Semiconductors (Ga, Fe)As
diluted magnetic semiconductor electronic band calculation
ferromagnetism
2007/8/15
2003Vol.40No.4pp.499-502DOI:
First-Principles Studies for the Electronic Structures of Diluted
Magnetic Semiconductors (Ga, Fe)As
WEI Shu-Yi, WANG Tian-Xing, YANG Zong-Xian, and ...
期刊信息
篇名
Effects of local oxygen distortions on electronic structures of NaxCoO2
语种
英文
撰写或编译
撰写
作者
J. Ni and G. M. Zhang
第一作者单位
清华大学
刊物名称
Phys. Rev. B
页面
69,214503 (2004).
出版日期
2004年
月
日
文章标识(ISSN)
相关项...