Study of the Electronic Structure of the Unconventional Superconductor Sr2RuO4 by the Embedded Cluster Method

2008 ◽  
pp. 33-48 ◽  
Author(s):  
Ilya G. Kaplan ◽  
Jacques Soullard
Keyword(s):  
Electronic Structure ◽  
Cluster Method ◽  
Unconventional Superconductor

Electronic structure of buckled and vacancy models of Si(111)-7 × 7 surface by DV-Xα cluster method

1981 ◽  
Vol 14 (15) ◽  
pp. 2165-2173 ◽  
Author(s):  
K Nakamura ◽  
T Hoshino ◽  
M Tsukada ◽  
S Ohnishi ◽  
S Sugano
Keyword(s):  
Electronic Structure ◽  
Cluster Method

Electronic Structure of Muonated Me4P[Pd(dmit)2]2

2015 ◽  
Vol 827 ◽  
pp. 355-359 ◽  
Author(s):  
Shukri Sulaiman ◽  
S.N.A. Ahmad ◽  
M.I. Mohamed-Ibrahim ◽  
Isao Watanabe
Keyword(s):  
Electronic Structure ◽  
Density Functional ◽  
Muon Spin ◽  
Density Functional Theory Method ◽  
Relaxation Effect ◽  
Lattice Relaxation ◽  
Muon Spin Rotation ◽  
Cluster Method ◽  
Antiferromagnetic Ordering ◽  
Organic Magnet

Me4P[Pd(dmit)2]2 is an organic magnet that show long range antiferromagnetic ordering as indicated by Muon Spin Rotation measurements. Three muon centers were observed in the material. To determine the muon stopping sites, we have employed the Molecular Orbital Cluster Method to study the electronic structure of muonated Me4P[Pd(dmit)2]2. We used a cluster containing 1 formula unit in our investigations and applied the Density Functional Theory method. Three µ+ centers in the vicinity of three chemically non-equivalent sulfur sites, namely thione, thiol and thiolate were examined. All three µ+ sites were found to be energetically stable. In the pure Me4P[Pd(dmit)2]2 cluster, the spin densities of the doublet state system is spread throughout the entire dimer. Spin density of only about 0.13 is localized around the thiolate moiety. For all three µ+ centers, the lattice relaxation effect is important to stabilize the sites energetically.

scholarly journals Surface and bulk electronic structure of the unconventional superconductor Sr2RuO4: unusual splitting of theβband

2012 ◽  
Vol 14 (6) ◽  
pp. 063039 ◽  
Author(s):  
V B Zabolotnyy ◽  
E Carleschi ◽  
T K Kim ◽  
A A Kordyuk ◽  
J Trinckauf ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Unconventional Superconductor
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