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Catálogo de materiales electrónicos topológicos

Tiantian Zhang^1,2, Yi Jiang^1,2, Zhida Song^1,2

¹Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences, Beijing, China.

|March 1, 2019

Resumen

Los investigadores desarrollaron un algoritmo automatizado para identificar materiales electrónicos topológicos. Esta herramienta diagnostica eficientemente la topología de banda no trivial, descubriendo miles de nuevos materiales para aplicaciones avanzadas de electrónica y computación cuántica.

Área de la Ciencia:

Física de la materia condensada
Ciencias de los materiales
Química computacional

Sus antecedentes:

Los materiales electrónicos topológicos exhiben propiedades electrónicas únicas.
Estos materiales son prometedores para la electrónica de próxima generación y la computación cuántica.
La identificación de materiales topológicos es un desafío debido a los complejos requisitos computacionales.

Objetivo del estudio:

Desarrollar un algoritmo efectivo, eficiente y automatizado para diagnosticar la topología de banda no trivial.
Permitir la identificación a gran escala de materiales electrónicos topológicos.
Facilitar el descubrimiento de materiales para aplicaciones tecnológicas avanzadas.

Principales métodos:

Desarrolló un algoritmo automatizado basado en mapeos entre representaciones de simetría y invariantes topológicos.
Aplicado el algoritmo a una base de datos de cristal de 39.519 materiales no magnéticos.
Utilizó herramientas computacionales para el análisis de la estructura de la banda y el cálculo de las propiedades topológicas.

Principales resultados:

Se identificaron 8.056 materiales topológicamente no triviales de la base de datos seleccionada.
El algoritmo diagnostica efectivamente la topología de banda no trivial en una gran fracción de materiales no magnéticos.
Se ha creado una base de datos de búsqueda con interfaz de usuario interactiva.

Conclusiones:

El algoritmo desarrollado simplifica y acelera significativamente la identificación de materiales topológicos.
Este trabajo amplía el panorama conocido de materiales electrónicos topológicos.
Los hallazgos allanan el camino para la aplicación práctica de materiales topológicos en electrónica de alto rendimiento y computación cuántica.

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