DFT-based study of the structural, optoelectronic, mechanical and magnetic properties of Ti3AC2 (A = P, As, Cd) for coating applications
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DOI: 10.1039/d1ra07856a
Abstract: The first-principles approach has been used while employing the Perdew–Burke–Ernzerhof exchange-correlation functional of generalized gradient approximation (PBE-GGA) along with the Hubbard parameter to study the structural, optoelectronic, mechanical and magnetic properties of titanium-based MAX materials… read more here.
Keywords: mechanical magnetic; study structural; optoelectronic mechanical; magnetic properties ... See more keywords