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 Sn_1 − xRE_xO₂ (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.

中文翻译：

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掺杂稀土（Pr，Pm，Sm，Dy和Tm）的SnO 2：从头算，平均场和蒙特卡洛计算

在本文中，我们考虑了五个稀土（RE = Pr，Pm，Sm，Dy和Tm）掺杂的锡（IV）氧化物半导体Sn _{1 − x} RE _x O ₂（x = 0.10 ）的电子和磁性特性）在金红石结构中。我们结构中4f轨道的存在促使我们选择采用自相互作用校正（LDA-SIC）的局部密度近似来改善获得的结果。我们还将讨论使用蒙特卡罗模拟法对每种稀土元素从研究中获得的临界温度，总磁化强度和磁化率。