Rare-Earths (Pr, Pm, Sm, Dy, and Tm)-Doped SnO2: Ab Initio, Mean Field, and Monte Carlo Calculation

Abstract

In this paper, we consider the electronic and magnetic proprieties of five rare-earths (RE = Pr, Pm, Sm, Dy, and Tm)-doped Tin (IV) oxide semiconductor Sn1 − xRExO2 (x = 0.10) in the rutile structure. The presence of the 4f orbitals in our structures pushes us to choose the local density approximation with Self-interaction-corrected (LDA-SIC) to improve the obtained results. We also discuss the critical temperature retrieved from the study the total magnetizations and the susceptibilities using Monte Carlo simulations for each rare-earth element used.