Origin and relevance of the staggering in one-dimensional molecular metals. A density functional study of metallophthalocyanine model dimers

1992 ◽  
Vol 31 (23) ◽  
pp. 4717-4726 ◽  
Author(s):  
A. Rosa ◽  
E. J. Baerends
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
One Dimensional

Formation of one-dimensional CeVO4 nanobelts as an enhanced photoelectrocatalyst and density functional study

2018 ◽  
Vol 231 ◽  
pp. 11-15 ◽  
Author(s):  
Linbing Yao ◽  
Enyan Guo ◽  
Ke Sun ◽  
Qifang Lu ◽  
Qinyu Wang
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
One Dimensional

A hybrid density-functional study of the one-dimensional ferromagnetic ordering of (BDTA)[Ni(mnt)2]

2006 ◽  
Vol 420 (4-6) ◽  
pp. 397-400
Author(s):  
Takeshi Taniguchi ◽  
Takashi Kawakami ◽  
Youhei Nishimura ◽  
Mistutaka Okumura ◽  
Kizashi Yamaguchi
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
One Dimensional ◽  
The One ◽  
Ferromagnetic Ordering ◽  
Hybrid Density Functional

Magnetism, stability and electronic properties of a novel one-dimensional infinite monatomic copper wire: a density functional study

2019 ◽  
Vol 43 (13) ◽  
pp. 5065-5069
Author(s):  
Xin Wang ◽  
Xue Yin ◽  
Xiao-Yong Lai ◽  
Ying-Tao Liu
Keyword(s):  
Electronic Properties ◽  
First Principles ◽  
Density Functional ◽  
Copper Wire ◽  
Functional Study ◽  
Density Functional Study ◽  
One Dimensional ◽  
Computational Calculation

In the present work, the structural, magnetic and electronic properties of a novel one-dimensional infinite monatomic copper wire (1D-IMCW) have been investigated using first-principles computational calculation.

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