First-principles study of the surface structure and stability of BC5

First-principles study of the surface structure and stability of BC5

BC _5 with both superhard and superconducting properties is expected to have important applications in many fields. In this work, the low-index surface structures and properties of BC _5 have been identified by first-principles calculations. The surface stability decreased in the order of (011) >...

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Bibliographic Details
Main Authors: Cheng Li, Kai Deng, Jinxia Li, Chunyan Sun, Pan Ma, Yanyan Chen, Xue-Rong Shi
Format: Article
Language:English
Published: IOP Publishing 2020-01-01
Series:Materials Research Express
Subjects:
BC5
low-index surfaces
first-principles calculations
wulff construction
Online Access:https://doi.org/10.1088/2053-1591/ab6acd

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