Elastic anisotropy and physical properties of semi-transition-metal borides: First-principles calculation

Yongmei Zhang, Dong Liu, Yindong Shi, Ziyi Sun, Li Wu, Yanqin Gao

Research output: Contribution to journalArticlepeer-review

12 Scopus citations

Abstract

The elastic anisotropy, mechanical and thermal properties of semi-transition-metal (TM) borides with I4/m symmetry have been investigated using the first-principles method. Compared with other TM2B compounds, Cr2B shows the most brittle and largest shear modulus, Young's modulus, Vickers hardness, Debye temperature (ΘD) and minimum thermal conductivity (κ min) with the relatively higher bulk modulus and fracture toughness. Due to the effect of volume, the slight difference has been found in the order of ΘD and κ min between Ta2B and W2B. Except Ti2B, TM2B compounds show weak elastic anisotropy.

Original languageEnglish
Article number015501
JournalApplied Physics Express
Volume13
Issue number1
DOIs
StatePublished - 1 Jan 2020
Externally publishedYes

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