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Descripción
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| Band alignment is key to enhance the performance of heterojunction for chalcopyrite thin film solar cells. In this work, we report theoretical calculations of the valence and conduction band offset for the polar and non-polar interfaces.The systems under consideration are CuGaS2, CuAlSe2 and CuGaS2 doped with Cr. The doped chalcopyrite contains an intermediate band which is a very promise concept to be used in photovoltaic solar energy production. The calculations are carried out using the density functional theory and the more accurate self-consistent GW scheme to obtain improved bulk band-gaps and band offsets; additionally, we use the semi-empirical Tight-Binding formalism to calculate the electronic band structure of the CuGaS2:Cr. The difference of valence and conduction band offsets of them is primarily attributed to the variations in dipole contributions due to the polar or non-polar character of the interface. We show that the CuGaS2/CuAlSe2 and CuGaS2/ZnSe heterostructures, in both polar and non-polar interfaces, forms a characteristic staggered band alignment for the design of heterojunction devices in photovoltaic applications. | |
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Internacional
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Si |
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DOI
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Edición del Libro
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1 |
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Editorial del Libro
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Real Sociedad Española de Física |
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ISBN
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978-84-0903541-0 |
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Serie
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Título del Libro
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Current Trends in Energy and Sustainability |
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Desde página
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61 |
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Hasta página
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73 |