Compositional dependence of cation impurity gettering in Hg1−xCdxTe

1995 ◽  
Vol 24 (9) ◽  
pp. 1219-1224 ◽  
Author(s):  
José L. Meléndez ◽  
John Tregilgas ◽  
John Dodge ◽  
C. R. Helms
Keyword(s):  
Compositional Dependence ◽  
Cation Impurity

Compositional dependence of crystallization and structural stability in Ge–Sb–Se chalcogenide films

2016 ◽  
Vol 453 ◽  
pp. 108-112 ◽  
Author(s):  
Hui Wang ◽  
Guoxiang Wang ◽  
Daotian Shi ◽  
Xiang Shen ◽  
Yegang Lu ◽  
...  
Keyword(s):  
Structural Stability ◽  
Compositional Dependence ◽  
Chalcogenide Films

Stability and Structures of Constitutional Defects in Nonstoichiometric Intermetallic Compounds by First-Principles Calculations

2005 ◽  
Vol 475-479 ◽  
pp. 3111-3114
Author(s):  
Masataka Mizuno ◽  
Hideki Araki ◽  
Yasuharu Shirai
Keyword(s):  
Intermetallic Compounds ◽  
First Principles ◽  
Electronic Structures ◽  
Stoichiometric Composition ◽  
Electronic Structure Calculations ◽  
First Principles Calculations ◽  
Compositional Dependence ◽  
Wide Range ◽  
Formation Energies ◽  
Structure Calculations

Some of intermetallic compounds exist in a wide range of concentration around the stoichiometric composition. First-principles electronic structure calculations have been performed for constitutional defects in non-stoichiometric CoAl and CoTi in order to investigate their stabilities and structural relaxations induced by constitutional defects. For the evaluation of stabilities of constitutional defects, the compositional dependence curves both of formation energies and of lattice parameters are obtained by the calculations employing supercells in various sizes. The lattice relaxations around constitutional defects are discussed by analyzing the change in electronic structures induced by constitutional defects.

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