Theoretical model for the tellurite sulfates Na 2Cu 5(TeO 3)(SO 4) 3(OH) 4 and K 2Cu 5(TeO 3)(SO 4) 3(OH) 4

I. BARTOLOMÉ; L. A. ERRICO; V. FERNÁNDEZ; M. MATERA; A. V. GIL REBAZA; C. LAMAS

PHYSICAL REVIEW B

AMER PHYSICAL SOC

Lugar: New York; Año: 2022

1098-0121

Status:Editorially approved for publicationJournal:Physical Review BArticle type:Regular ArticleSection:Electronic structure and strongly correlated systemsReceived:20Jul2022 (Revised) 20Sep202226Oct22Editorially approved for publicationA theoretical model for two new tellurite-sulfates Na2 Cu5(TeO3)(SO4)3 (OH)4 and K2Cu5(TeO3)(SO4)3 (OH)4 is determined to be compatible with ab-initio calculations. The resultsobtained in this work show that some previous speculations in the literature about the couplingsare correct, obtaining a model with a mixture of ferromagnetic and antiferromagnetic couplings.We use a combination of numerical techniques to study the magnetic properties of the model. Ournumerical calculations based on the density matrix renormalization group method reveal that thesystem presents Ising-like magnetization plateaus at rational values of the saturation magnetization.