A larger-cell tetragonal carbon allotrope tP176 carbon with superhardness
Materials Letters（2022）
Abstract
•A new larger carbon allotrope tP176 carbon with P4/nbm phase is first proposed.•The tP176 carbon is a potentially superhard material with hardness of 55 GPa.•tP176 carbon is a wide and quasi-direct band gap semiconductor material.
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Key words
Carbon materials,Crystal structure,Elastic properties,Electronic materials
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