Electronic structure, phase stability, vibrational and thermodynamic properties of the ternary Nowotny-Juza materials LiMgSb and LiZnSb

2017 ◽  
Vol 519 ◽  
pp. 39-52 ◽  
Author(s):  
Dj. Guendouz ◽  
Z. Charifi ◽  
H. Baaziz ◽  
F. Soyalp ◽  
G. Uğur ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Thermodynamic Properties ◽  
Phase Stability ◽  
Structure Phase

scholarly journals Theoretical design of a technetium-like alloy and its catalytic properties

2019 ◽  
Vol 10 (21) ◽  
pp. 5461-5469
Author(s):  
Wei Xie ◽  
Michihisa Koyama
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Catalytic Activity ◽  
Density Of States ◽  
Phase Stability ◽  
Density Functional ◽  
Catalytic Properties ◽  
Functional Theory ◽  
Theoretical Design ◽  
Structure Phase

Based on the concept of density of states (DOS) engineering, we theoretically designed a pseudo-Tc material (Mo–Ru alloy) and investigated its electronic structure, phase stability and catalytic activity by using density functional theory.

scholarly journals Electronic structure, phase stability, and chemical bonding inTh2AlandTh2AlH4

2002 ◽  
Vol 65 (7) ◽  
Author(s):  
P. Vajeeston ◽  
R. Vidya ◽  
P. Ravindran ◽  
H. Fjellvåg ◽  
A. Kjekshus ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Phase Stability ◽  
Chemical Bonding ◽  
Structure Phase

Crystal structure, phase stability, and electronic structure of Ti-Al intermetallics:Ti3Al

1991 ◽  
Vol 43 (3) ◽  
pp. 1940-1947 ◽  
Author(s):  
T. Hong ◽  
T. J. Watson-Yang ◽  
X.-Q. Guo ◽  
A. J. Freeman ◽  
T. Oguchi ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Electronic Structure ◽  
Phase Stability ◽  
Structure Phase

Crystal structure, phase stability, and electronic structure of Ti-Al intermetallics:TiAl3

1990 ◽  
Vol 41 (18) ◽  
pp. 12462-12467 ◽  
Author(s):  
T. Hong ◽  
T. J. Watson-Yang ◽  
A. J. Freeman ◽  
T. Oguchi ◽  
Jian-hua Xu
Keyword(s):  
Crystal Structure ◽  
Electronic Structure ◽  
Phase Stability ◽  
Structure Phase

Electronic structure, phase stability, and semimetal-semiconductor transitions in Bi

1999 ◽  
Vol 60 (23) ◽  
pp. 15484-15487 ◽  
Author(s):  
A. B. Shick ◽  
J. B. Ketterson ◽  
D. L. Novikov ◽  
A. J. Freeman
Keyword(s):  
Electronic Structure ◽  
Phase Stability ◽  
Structure Phase
Sign in / Sign up

Export Citation Format

Share Document