h-C63: A new hexagonal superhard metallic carbon allotrope
نویسندگان
چکیده
منابع مشابه
A Reinvestigation of a Superhard Tetragonal sp3 Carbon Allotrope
I 4 ¯ -carbon was first proposed by Zhang et al., this paper will report regarding this phase of carbon. The present paper reports the structural and elastic properties of the three-dimensional carbon allotrope I 4 ¯ -carbon using first-principles density functional theory. The related enthalpy, elastic constants, and phonon spectra confirm that the newly-predicted I 4 ¯ -carbon is thermodynami...
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ژورنال
عنوان ژورنال: Results in Physics
سال: 2019
ISSN: 2211-3797
DOI: 10.1016/j.rinp.2019.102738