scholarly journals Efficient electronic structure calculations for extended systems of coupled quantum dots using a linear combination of quantum dot orbitals method

2021 ◽  
Vol 103 (11) ◽  
Author(s):  
Alexander Mittelstädt ◽  
Ludwig A. Th. Greif ◽  
Stefan T. Jagsch ◽  
Andrei Schliwa
Keyword(s):  
Quantum Dots ◽  
Electronic Structure ◽  
Quantum Dot ◽  
Linear Combination ◽  
Electronic Structure Calculations ◽  
Coupled Quantum Dots ◽  
Extended Systems ◽  
Structure Calculations

Theoretical investigation of energy gap bowing in CdSxSe1−x alloy quantum dots

2017 ◽  
Vol 19 (22) ◽  
pp. 14495-14502
Author(s):  
Laxman Tatikondewar ◽  
Anjali Kshirsagar
Keyword(s):  
Density Functional Theory ◽  
Quantum Dots ◽  
Electronic Structure ◽  
Theoretical Investigation ◽  
Density Functional ◽  
Energy Gap ◽  
Electronic Structure Calculations ◽  
Functional Theory ◽  
Alloy Quantum Dots ◽  
Structure Calculations

To investigate energy gap bowing in homogeneously alloyed CdSxSe1−x quantum dots (QDs) and to understand whether it is different from bulk, we perform density functional theory based electronic structure calculations for spherical QDs of different compositions x (0 ≤ x ≤ 1) and of varying sizes (2.2 to 4.6 nm).

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