Energetics of alkaline-earth metal silicides calculated using a first-principle pseudopotential method

2002 ◽  
Vol 10 (4) ◽  
pp. 333-341 ◽  
Author(s):  
Yoji Imai ◽  
Akio Watanabe
Keyword(s):  
Alkaline Earth ◽  
Earth Metal ◽  
Pseudopotential Method ◽  
Alkaline Earth Metal ◽  
First Principle ◽  
Metal Silicides

Structural stability and electronic properties of 2D alkaline-earth metal silicides, germanides, and stannides

2020 ◽  
Vol 59 (SF) ◽  
pp. SF0801 ◽  
Author(s):  
A. Y. Alekseev ◽  
D. B. Migas ◽  
A. B. Filonov ◽  
V. E. Borisenko ◽  
N. V. Skorodumova
Keyword(s):  
Electronic Properties ◽  
Structural Stability ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Metal Silicides

Stability of 2D Alkaline-Earth Metal Silicides, Germanides and Stannides

2019 ◽  
Vol 18 (03n04) ◽  
pp. 1940013 ◽  
Author(s):  
A. Yu. Alekseev ◽  
A. G. Chernykh ◽  
A. B. Filonov ◽  
D. B. Migas ◽  
N. V. Skorodumova
Keyword(s):  
Ground State ◽  
Alkaline Earth ◽  
Dynamic Instability ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Metal Chalcogenides ◽  
Metal Silicides ◽  
Phonon Spectra ◽  
Transition Metal Chalcogenides ◽  
T Phase

By means of ab initio calculations, we have estimated stability of 2D Me[Formula: see text] ([Formula: see text], Ca, Sr, Ba and [Formula: see text], Ge, Sn) in the T and Td phases, which are similar to the ones of 2D transition metal chalcogenides, in addition to their phonon spectra. The T phase is found to be more stable for 2D Ca[Formula: see text], Sr[Formula: see text] and Ba[Formula: see text], whereas the Td phase is predicted to be the ground state for 2D Mg[Formula: see text]. We have also discussed that imaginary frequencies in the calculated phonon spectra of 2D Me[Formula: see text], which appeared in the vicinity of the [Formula: see text] point, were not necessarily associated with the dynamic instability.

Electronic structures of semiconducting alkaline-earth metal silicides

2003 ◽  
Vol 358 (1-2) ◽  
pp. 257-263 ◽  
Author(s):  
Yoji Imai ◽  
Akio Watanabe ◽  
Masakazu Mukaida
Keyword(s):  
Electronic Structures ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Metal Silicides

Impact of Alkaline Earth Metal Doping on the Stability of Perovskite Solar Cells

2019 ◽  
Author(s):  
Nga Phung ◽  
Hans Köbler ◽  
Diego Di Girolamo ◽  
Thi Tuyen Ngo ◽  
Gabrielle Sousa e Silva ◽  
...  
Keyword(s):  
Solar Cells ◽  
Alkaline Earth ◽  
Perovskite Solar Cells ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Metal Doping ◽  
The Stability
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