scholarly journals Coexistence of magnetic fluctuations and long-range order in the one-dimensional J1−J2 zigzag chain materials BaDy2O4 and BaHo2O4

2018 ◽  
Vol 98 (14) ◽  
Author(s):  
Bobby Prévost ◽  
Nicolas Gauthier ◽  
Vladimir Y. Pomjakushin ◽  
Bernard Delley ◽  
Helen C. Walker ◽  
...  
2013 ◽  
Vol 534 ◽  
pp. 17-21
Author(s):  
Kohjiro Kobayashi ◽  
Kosuke Suzuki ◽  
Hiroshi Sakurai

sotropic and directional autocorrelation functions have been calculated using the DV-Xα method on polyethylene type clusters to investigate the effect of its characteristic dimensionality of the wavefunctions. Directional autocorrelation functions are calculated along the c-axis, the direction of the long chain of carbon atoms, and along an axis perpendicular to it. The analysis of the molecular orbital dependence of the autocorrelation function reveals that the long range order along the c-axis can be enhanced as increasing the length of the cluster and the orbitals near the highest occupied molecular orbital have a key role for the one-dimensional order.


2016 ◽  
Vol 18 (1) ◽  
pp. 015015 ◽  
Author(s):  
M Gerster ◽  
M Rizzi ◽  
F Tschirsich ◽  
P Silvi ◽  
R Fazio ◽  
...  

1997 ◽  
Vol 30 (2) ◽  
pp. 501-505 ◽  
Author(s):  
Aernout C D van Enter ◽  
Boguslaw Zegarlinski

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