First-principle investigation of electronic structures and interactions of foreign interstitial atoms (C, N, B, O) and intrinsic point defects in body- and face-centered cubic iron lattice: A comparative analysis

Ahlawat, S.Srinivasu, K.Biswas, A.Choudhury, N.2020-09-212020-09-212019Computational Materials Science, 2019. Vol. 170: Article no. 109167http://hdl.handle.net/123456789/206425288 bytestext/htmlenFirst-principle calculationsElectronic structureFerritic steelAustenitic steelFirst-principle investigation of electronic structures and interactions of foreign interstitial atoms (C, N, B, O) and intrinsic point defects in body- and face-centered cubic iron lattice: A comparative analysisArticle