On dynamic and elastic stability of group IIIB metal carbides: Ab-initio calculations

2012 ◽  
Author(s):  
B. D. Sahoo ◽  
D. Mukherjee ◽  
K. D. Joshi ◽  
Satish C. Gupta
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Elastic Stability ◽  
Metal Carbides

scholarly journals Low compressible noble metal carbides with rocksalt structure: Ab initio total energy calculations of the elastic stability

2006 ◽  
Vol 89 (7) ◽  
pp. 071913 ◽  
Author(s):  
Chang-Zeng Fan ◽  
Song-Yan Zeng ◽  
Zai-Ji Zhan ◽  
Ri-Ping Liu ◽  
Wen-Kui Wang ◽  
...  
Keyword(s):  
Total Energy ◽  
Ab Initio ◽  
Noble Metal ◽  
Elastic Stability ◽  
Metal Carbides ◽  
Energy Calculations ◽  
Rocksalt Structure

Millimetre-wave and infrared spectroscopy of Br13 CN: anharmonic force field of cyanogen bromide from spectroscopic data and ab initio calculations

1997 ◽  
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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