First-principles study of the structural, electronic, vibrational, and elastic properties of orthorhombic NiSi

We present a study of the structural, electronic, vibrational, and elastic properties of the orthorhombic NiSi structure by means of the density-functional theory and the density-functional perturbative theory, with the Perdew-Burke-Ernzerhof generalized gradient approximation of the exchange-correl... View More