Hydrogen-vacancy interactions in ferromagnetic and paramagnetic bcc iron: Ab initio calculations

2015 ◽  
Vol 252 (9) ◽  
pp. 1966-1970 ◽  
Author(s):  
Alexander Aminulaevich Mirzoev ◽  
Dzhalal Aminulovich Mirzaev ◽  
Anastasiia Vladimirovna Verkhovykh
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Bcc Iron ◽  
Hydrogen Vacancy

Hydrogen–vacancy interaction in bcc iron: ab initio calculations and thermodynamics

2013 ◽  
Vol 112 (13) ◽  
pp. 1745-1754 ◽  
Author(s):  
D.A. Mirzaev ◽  
A.A. Mirzoev ◽  
K.Yu. Okishev ◽  
A.V. Verkhovykh
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Bcc Iron ◽  
Hydrogen Vacancy

Vacancy–solute interactions in ferromagnetic and paramagnetic bcc iron: Ab initio calculations

2011 ◽  
Vol 419 (1-3) ◽  
pp. 248-255 ◽  
Author(s):  
O.I. Gorbatov ◽  
P.A. Korzhavyi ◽  
A.V. Ruban ◽  
B. Johansson ◽  
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Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Bcc Iron ◽  
Solute Interactions

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Vol 90 (3) ◽  
pp. 495-497
Author(s):  
CLAUDIO ESPOSTI ◽  
FILIPPO TAMASSIA ◽  
CRISTINA PUZZARINI ◽  
RICCARDO TARRONI ◽  
ZDENEK ZELINGER
Keyword(s):  
Infrared Spectroscopy ◽  
Force Field ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Spectroscopic Data ◽  
Cyanogen Bromide ◽  
Millimetre Wave ◽  
Anharmonic Force

Ab Initio Calculations of Defects in CdMnSe Semimagnetic Semiconductors

2020 ◽  
Vol 55 (1) ◽  
pp. 108-113
Author(s):  
M. A. Mehrabova ◽  
H. S. Orujov ◽  
N. H. Hasanov ◽  
A. I. Kazimova ◽  
A. A. Abdullayeva
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Semimagnetic Semiconductors
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