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PROPIEDADES ELECTRÓNICAS DE SISTEMAS TIPO PANAL DE ABEJAS EN DOS DIMENSIONES. UN ESTUDIO AB INITIO
ELECTRONIC PROPERTIES OF DIATOMIC TWO-DIMENSIONAL HONEYCOMB SYSTEMS. AN AB INITIO STUDY
Keywords:
Monocapas hexagonales, Propiedades electrónicas, DFT, DOS (es)Hexagonal monolayers, Electronic properties, DFT, DOS. (en)
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Las novedosas propiedades del grafeno han motivado la búsqueda de materiales que presenten características similares. En el presente artículo se estudian la estabilidad química y la estructura de bandas de monocapas hexagonales de GaAs y GaN, usando un formalismo de primeros principios.
Los resultados obtenidos mediante el código SIESTA, como implementación de la Teoría del Funcional de la Densidad, muestran que el GaAs (GaN) es un semiconductor con una brecha de energía prohibida indirecta (directa)The novel properties of graphene have motivated the search for materials with similar characteristics.
In this work, we study the chemical stability and the band structures of GaAs and GaN hexagonal monolayers, using a first principles formalism.
Results obtained with SIESTA code, as a DFT implementation, show GaAs (GaN) is an indirect (a direct) bandgap semiconductor.
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