E. Khorasani

most citedFirst-principles insights into f magnetism, a case study on some magnetic pyrochlores

17 citations · 24 across the 2 of their papers we have counts for

collaborators

2 papers

cond-mat.mtrl-sci2021★ 7 cited

Identification of the Nitrogen Interstitial as Origin of the 3.1 eV Photoluminescence Band in Hexagonal Boron Nitride

E. Khorasani, T. Frauenheim, B. Aradi +1

Nitrogen interstitials (N $_{i}$ ) have the lowest formation energy among intrinsic defects of hexagonal boron nitride (hBN) under n-type and N-rich conditions. Using an optim…

cond-mat.str-el2015★ 17 cited

First-principles insights into f magnetism, a case study on some magnetic pyrochlores

Najmeh Deilynazar, Elham Khorasani, Mojtaba Alaei +1

First-principles calculations are performed to investigate f magnetism in A $_{2}$ Ti $_{2}$ O $_{7}$ (A=Eu, Gd, Tb, Dy, Ho, Er, Yb) magnetic pyrochlore oxides. The Hubbard U parameter and th…