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Telurio: transporte eléctrico y atómico rápido a lo largo de la dirección de interacción débil
Yuanyue Liu1,2, Wenzhuo Wu3, William A Goddard1
1Materials and Process Simulation Center and The Resnick Sustainability Institute, California Institute of Technology , Pasadena, California 91125, United States.
Journal of the American Chemical Society
|December 23, 2017
Resumen
Los semiconductores de telurio (Te) muestran un transporte eléctrico y atómico isotrópico inusual debido a los electrones deslocalizados. Esta propiedad permite una rápida autocuración de defectos, ofreciendo información sobre el transporte de materiales anisotrópicos.
Área de la Ciencia:
- Ciencias de los materiales
- Física de la materia condensada
- Química del estado sólido
Sus antecedentes:
- Los materiales anisotrópicos suelen exhibir un transporte más lento a lo largo de direcciones de interacción más débiles en comparación con las direcciones de enlace químico.
- El telurio (Te) es un semiconductor con cadenas atómicas helicoidales, sin embargo, muestra un transporte eléctrico casi isotrópico.
Objetivo del estudio:
- Investigar las razones detrás del transporte eléctrico isotrópico en el tellurio a granel y de pocas capas.
- Para entender los mecanismos que rigen el transporte atómico y la auto-reparación de defectos en el telurio.
Principales métodos:
- Los cálculos de los primeros principios se emplearon para estudiar las propiedades de transporte electrónico y atómico del telurio.
- El análisis se centró en las masas efectivas, los potenciales para los portadores de carga y los mecanismos de difusión de defectos.
Principales resultados:
- El transporte isotrópico del telurio surge de masas efectivas y potenciales similares para los portadores de carga, atribuidos a electrones de pares solitarios deslocalizados.
- Los electrones deslocalizados mejoran la unión entre cadenas, facilitando la difusión entre cadenas de vacantes y átomos intersticiales.
- La rápida difusión dentro de la cadena y el transporte entre cadenas permiten la autocuración de defectos a baja temperatura.
- Los átomos intersticiales se difunden a lo largo de las cadenas a través de un mecanismo de rotación concertado.
Conclusiones:
- El telurio exhibe propiedades no convencionales, incluido el transporte isotrópico y la autocuración eficiente, debido a la deslocalización de electrones.
- Estos hallazgos proporcionan información valiosa sobre los fenómenos de transporte en los materiales anisotrópicos.
- El estudio destaca el potencial del telurio para aplicaciones que requieren un rendimiento superior del material.
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