scholarly journals Ca3Mn2O7 structural path unraveled by atomic-scale properties: A combined experimental and ab initio study

2020 ◽  
Vol 101 (6) ◽  
Author(s):  
P. Rocha-Rodrigues ◽  
S. S. M. Santos ◽  
I. P. Miranda ◽  
G. N. P. Oliveira ◽  
J. G. Correia ◽  
...  
Keyword(s):  
Ab Initio ◽  
Atomic Scale ◽  
Ab Initio Study ◽  
Scale Properties ◽  
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Atomic-Scale Properties of High-k Dielectrics: Ab Initio Study for Pr-Based Materials

2005 ◽  
pp. 339-350 ◽  
Author(s):  
Jarek Da̧browski ◽  
Andrzej Fleszar ◽  
Gunther Lippert ◽  
Grzegorz Lupina ◽  
Anil Mane ◽  
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Keyword(s):  
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Ab Initio Study ◽  
High K ◽  
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Atomic-scale Ab-initio study of the Zr-H system: I. Bulk properties

2002 ◽  
Vol 50 (13) ◽  
pp. 3513-3526 ◽  
Author(s):  
C. Domain ◽  
R. Besson ◽  
A. Legris
Keyword(s):  
Ab Initio ◽  
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Ab Initio Study ◽  
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scholarly journals Atomic-scale defects restricting structural superlubricity: Ab initio study on the example of the twisted graphene bilayer

2021 ◽  
Vol 104 (7) ◽  
Author(s):  
Alexander S. Minkin ◽  
Irina V. Lebedeva ◽  
Andrey M. Popov ◽  
Andrey A. Knizhnik
Keyword(s):  
Ab Initio ◽  
Atomic Scale ◽  
Ab Initio Study ◽  
Graphene Bilayer ◽  
Twisted Graphene

Ab-initio study of thermodynamic properties of boron nanowire at atomic scale

2018 ◽  
Author(s):  
Prabal D. Bhuyan ◽  
Sanjeev K. Gupta ◽  
Y. Sonvane ◽  
P. N. Gajjar
Keyword(s):  
Thermodynamic Properties ◽  
Ab Initio ◽  
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An ab initio study of Se-reacted GaAs(0 0 1) surfaces

1998 ◽  
Vol 184-185 (1-2) ◽  
pp. 80-84 ◽  
Author(s):  
W Faschinger
Keyword(s):  
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