First-principles calculations of the effect of pressure on the iron-based superconductor LaFeAsO

2009 ◽  
Vol 80 (16) ◽  
Author(s):  
Hiroki Nakamura ◽  
Masahiko Machida
Keyword(s):  
First Principles ◽  
First Principles Calculations ◽  
Effect Of Pressure ◽  
Iron Based

Elastic parameters of paramagnetic iron-based alloys from first-principles calculations

2012 ◽  
Vol 85 (5) ◽  
Author(s):  
Hualei Zhang ◽  
Marko P. J. Punkkinen ◽  
Börje Johansson ◽  
Levente Vitos
Keyword(s):  
First Principles ◽  
First Principles Calculations ◽  
Elastic Parameters ◽  
Iron Based

scholarly journals Electronic, vibrational, and electron–phonon coupling properties in SnSe2 and SnS2 under pressure

2020 ◽  
Vol 8 (46) ◽  
pp. 16404-16417
Author(s):  
Gyanu Prasad Kafle ◽  
Christoph Heil ◽  
Hari Paudyal ◽  
Elena R. Margine
Keyword(s):  
First Principles ◽  
Lattice Stability ◽  
First Principles Calculations ◽  
Phonon Coupling ◽  
Effect Of Pressure ◽  
Electron Phonon Coupling ◽  
Phonon Properties

First-principles calculations are used to investigate the effect of pressure on lattice stability, electron–phonon properties, and superconductivity in SnSe2 and SnS2.

First principles calculations on the effect of pressure on SiH4(H2)2

2012 ◽  
Vol 152 (10) ◽  
pp. 873-877 ◽  
Author(s):  
K.V. Shanavas ◽  
H.K. Poswal ◽  
Surinder M. Sharma
Keyword(s):  
First Principles ◽  
First Principles Calculations ◽  
Effect Of Pressure
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