Browsing Araştırma Çıktıları / Research Outputs by Subject "ab initio calculations"

Now showing items 1-1 of 1

Structural, Electronic, Elastic and Magnetic Properties of Ln(3)QIn (Ln = Ce, Pr and Nd; Q = C and N) anti-perovskites

Alwadai, Norah; Mehmood, Shahid; Ali, Zahid; Al-Buriahi, M. S.; Alomairy, Sultan; Khosa, Rabia Yasmin; Alrowaili, Z. A.; Somaily, H. H.; Aman, Salma (2022)

Structural, electronic, elastic and magnetic properties of Ln(3)QIn (Ln = Ce, Pr and Nd; Q = C and N) anti-perovskites were studied using density functional theory. The measured structural parameters were much reliable ...