2021/04/05 by D. Roy, Dipayan Roy, R. Torsten Clay +3
Materials Science · Physics and Astronomy · #Antiferromagnetism #Density matrix renormalization group #Electronic band structure #Hubbard model #Insulator (electricity) #Iron-based superconductors research #Lattice (music) #Magnetism in coordination complexes #Organic and Molecular Conductors Research #Pairing #Superconductivity #cond-mat.str-el #cond-mat.supr-con
paper · pdf · doi:10.3390/cryst11060580
published as Crystals 2021, 11(6), 580 · 9 pages, 6 figures
arxiv created 2021/04/05 · openalex created_date 2021/04/13 · openalex publication_date 2021/05/22 · arxiv updated 2021/05/25 · openalex updated_date 2026/08/06
In the most studied family of organic superconductors κ-(BEDT-TTF)2X, the BEDT-TTF molecules that make up the conducting planes are coupled as dimers. For some anions X, an antiferromagnetic insulator is found at low temperatures adjacent to superconductivity. With an average of one hole carrier per dimer, the BEDT-TTF band is effectively 12-filled. Numerous theories have suggested that fluctuations of the magnetic order can drive superconducting pairing in these models, even as direct calculations of superconducting pairing in monomer 12-filled band models find no superconductivity. Here, we present accurate zero-temperature Density Matrix Renormalization Group (DMRG) calculations of a dimerized lattice with one hole per dimer. While we do find an antiferromagnetic state in our results, we find no evidence for superconducting pairing. This further demonstrates that magnetic fluctuations in the effective 12-filled band approach do not drive superconductivity in these and related materials.