Journal ArticleDOI
Electronic and optical properties of Cu2ZnSnS4 and Cu2ZnSnSe4
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In this paper, the electronic structure as well as the optical response of kesterite and stannite structures of Cu2ZnSnS4 and CoS4 were analyzed by a relativistic full-potential linearized augmented plane.Abstract:
The electronic structure as well as the optical response of kesterite and stannite structures of Cu2ZnSnS4 and Cu2ZnSnSe4 are analyzed by a relativistic full-potential linearized augmented plane wa ...read more
Citations
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Classification of lattice defects in the kesterite Cu2ZnSnS4 and Cu2ZnSnSe4 earth-abundant solar cell absorbers.
TL;DR: The calculated properties explain the experimental observation that Cu poor and Zn rich conditions result in the highest solar cell efficiency, as well as suggesting an efficiency limitation in Cu2ZnSn(S,Se)4 cells when the S composition is high.
Journal ArticleDOI
Compound Copper Chalcogenide Nanocrystals
TL;DR: This review captures the synthesis, assembly, properties, and applications of copper chalcogenide NCs, which have achieved significant research interest in the last decade due to their compositional and structural versatility.
Journal ArticleDOI
Band tailing and efficiency limitation in kesterite solar cells
TL;DR: In this article, the authors demonstrate that a fundamental performance bottleneck for hydrazine processed kesterite Cu2ZnSn(S,Se)4 (CZTSSe) solar cells with efficiencies reaching above 11% can be the formation of band-edge tail states.
Journal ArticleDOI
Kesterites - a challenging material for solar cells
Susanne Siebentritt,Susan Schorr +1 more
TL;DR: In this paper, the structural and electronic data relevant for the solar cells were summarised and the authors concluded that the equilibrium structure of both Cu2ZnSnS4 and Cu2znSnSe4 is the kesterite structure.
References
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Journal ArticleDOI
Projector augmented-wave method
TL;DR: An approach for electronic structure calculations is described that generalizes both the pseudopotential method and the linear augmented-plane-wave (LAPW) method in a natural way and can be used to treat first-row and transition-metal elements with affordable effort and provides access to the full wave function.
Journal ArticleDOI
From ultrasoft pseudopotentials to the projector augmented-wave method
Georg Kresse,Daniel P. Joubert +1 more
TL;DR: In this paper, the formal relationship between US Vanderbilt-type pseudopotentials and Blochl's projector augmented wave (PAW) method is derived and the Hamilton operator, the forces, and the stress tensor are derived for this modified PAW functional.
Book
Pearson's handbook of crystallographic data for intermetallic phases
Pierre Villars,L. d. Calvert +1 more
TL;DR: All crystallographic data are now given in the standard setting according to the International Tables for Crystallography, and the following improvements over the original Pearson's.
Journal ArticleDOI
Linear optical properties of solids within the full-potential linearized augmented planewave method
TL;DR: A scheme for the calculation of linear optical properties by the all-electron full-potential linearized augmented planewave (LAPW) method and as an example the formalism is applied to Aluminum.
Journal ArticleDOI
Electrical and Optical Properties of Stannite-Type Quaternary Semiconductor Thin Films
Kentaro Ito,Tatsuo Nakazawa +1 more
TL;DR: In this paper, quaternary stannite-type semiconductor films of Cu2CdSnS4 and Cu2ZnSnSS4 with (112) orientation were deposited on heated glass substrates using atom beam sputtering.