Rare-Earths (Pr, Pm, Sm, Dy, and Tm)-Doped SnO 2 : Ab Initio, Mean Field, and Monte Carlo Calculation
JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM(2020)
摘要
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 − x RE x O 2 (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.
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关键词
Rare earth,Tin oxide,Tin dioxide,First principles calculations,Ab-initio,KKR–CPA,Self-interaction-corrected,Diluted magnetic semiconductor,Magnetizations,Susceptibilities,Monte Carlo simulations
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