Structural properties and strain engineering of a BeB2 monolayer from first-principles

5 years ago

Structural properties and strain engineering of a BeB2 monolayer from first-principles

Yuting Qi, Alessandro Stroppa, Tao Hu, Shunbo Hu, Musen Li, Jihua Zhang, Wei Ren, Guodong Zhao, Fanhao Jia

Using crystal structure prediction and first-principles calculations, we investigated new phases of BeB₂ monolayers and discussed their structural, electronic and strain effect properties of such boron-based 2D materials.

Publisher URL: http://feeds.rsc.org/~r/rss/ra/~3/Gy8vg-TPJos/C7RA07137J

DOI: 2017/RA/C7RA07137J

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