chalcopyrite semiconductor
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The effect of vacancy-defects on the magnetic properties of ZnSn1−xVxAs2: An ab initio study

2020 ◽  
Vol 34 (30) ◽  
pp. 2050285
Author(s):  
G. S. Orudzhev ◽  
V. N. Jafarova ◽  
S. S. Huseynova ◽  
E. K. Gasimova
Keyword(s):  
Magnetic Properties ◽  
Ab Initio ◽  
Transition Element ◽  
First Principle ◽  
Ab Initio Study ◽  
Vacancy Defects ◽  
First Principle Calculations ◽  
Spin Ordering ◽  
Chalcopyrite Semiconductor ◽  
Sn Substitution

This paper presents the results of first-principle calculations of the magnetic properties of vanadium-doped and a vacancy-defected chalcopyrite semiconductor ZnSnAs2. It was shown that adding a transition element contributes to the magnetization of ZnSnAs2. The calculations for a number of supercells showed that a ferromagnetic spin ordering is favorable when V substitutes Sn. Besides, the Zn, Sn and As vacancies affect the magnetization. While V(Sn) substitution of the vacancies strengthens magnetization, a slight weakening of the magnetization occurs due to the arsenic atoms. Four As atoms chemically bonded to V dopant were found to be most contributive.

scholarly journals First-principles calculation of shift current in chalcopyrite semiconductor ZnSnP2

2020 ◽  
Vol 4 (6) ◽  
Author(s):  
Banasree Sadhukhan ◽  
Yang Zhang ◽  
Rajyavardhan Ray ◽  
Jeroen van den Brink
Keyword(s):  
First Principles ◽  
First Principles Calculation ◽  
Chalcopyrite Semiconductor

Single-Crystal Growth and Characterization of the Chalcopyrite Semiconductor CuInTe2 for Photoelectrochemical Solar Fuel Production

2018 ◽  
Vol 9 (23) ◽  
pp. 6833-6840 ◽  
Author(s):  
Jessica J. Frick ◽  
Andreas Topp ◽  
Sebastian Klemenz ◽  
Maxim Krivenkov ◽  
Andrei Varykhalov ◽  
...  
Keyword(s):  
Crystal Growth ◽  
Single Crystal ◽  
Single Crystal Growth ◽  
Solar Fuel ◽  
Fuel Production ◽  
Chalcopyrite Semiconductor

Half-Metallic Behavior of Transition Metal-Doped Chalcopyrite Semiconductor: LDA and SIC-LDA Calculation

2016 ◽  
Vol 29 (10) ◽  
pp. 2629-2634
Author(s):  
Ayoub Laghrissi ◽  
El Mehdi Salmani ◽  
El Mostafa Benchafia ◽  
Mustapha Dehmani ◽  
Hamid Ez-Zahraouy ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metallic Behavior ◽  
Half Metallic ◽  
Chalcopyrite Semiconductor ◽  
Metal Doped
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