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Topological phononic materials: Computation and data.

Xing-Qiu Chen1, Jiaxi Liu1, Jiangxu Li1

  • 1Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Science, Shenyang 110016, China.

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|September 24, 2021
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Summary
This summary is machine-generated.

Scientists developed HT-PHONON software and an online database to identify over 5,000 topological phononic (TP) materials. This accelerates materials discovery by analyzing big data, moving beyond traditional experiments.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Computational Materials Design

Background:

  • Vast amounts of materials data make exhaustive experimental investigation impractical.
  • High-throughput computational methods are crucial for efficient materials discovery.
  • Understanding phononic properties is key to developing new materials.

Purpose of the Study:

  • To introduce the HT-PHONON software and its associated online database.
  • To showcase the identification of over 5,000 topological phononic (TP) materials.
  • To explore the potential applications of TP materials through phonon manipulation.

Main Methods:

  • Developed custom HT-PHONON software for materials screening.
  • Utilized high-throughput computational materials design.
  • Applied big data analysis to a dataset of 13,000 materials.
  • Constructed a publicly accessible online database for TP materials.

Main Results:

  • Successfully identified over 5,000 topological phononic (TP) materials.
  • Developed a user-friendly online platform (www.phonon.synl.ac.cn) for accessing TP material data.
  • Demonstrated the feasibility of large-scale computational screening for phononic materials.

Conclusions:

  • The HT-PHONON platform significantly accelerates the discovery of novel phononic materials.
  • Accessible data on TP materials facilitates fundamental research and potential technological applications.
  • Manipulating phonons offers exciting avenues for future materials innovation.