Formation of CuO2 sublattices by suppression of interlattice correlations in tetragonal CuO

We investigate the tetragonal phase of the binary transition metal oxide CuO (t-CuO) within the context of cellular dynamical mean-field theory. Due to its strong antiferromagnetic correlations and simple structure, analysing the physics of t-CuO is of high interest as it may pave the way towards a more complete understanding of high-temperature superconductivity in hole-doped antiferromagnets. In this work we give a formal justification for the weak-coupling assumption that has previously been made for the interconnected sublattices within a single layer of t-CuO by studying the non-local self-energies of the system. We compute momentum-resolved spectral functions using a Matrix Product State (MPS)-based impurity solver directly on the real axis, which does not require any numerically ill-conditioned analytic continuation. The agreement with photoemission spectroscopy indicates that a single-band Hubbard model is sufficient to capture the material’s low energy physics. We perform calculations on a range of different temperatures, finding two magnetic regimes, for which we identify the driving mechanism behind their respective insulating state. Finally, we show that in the hole-doped regime the sublattice structure of t-CuO has interesting consequences on the symmetry of the superconducting state.

Bacq-Labreuil, BenjaminThe French National Centre for Scientific Research (CNRS) (author)
Grundner, MartinLudwig-Maximilian University of Munich (author)
Biermann, SilkeLund University,Lunds universitet,Matematisk fysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Mathematical Physics,Department of Physics,Departments at LTH,Faculty of Engineering, LTH,The French National Centre for Scientific Research (CNRS),College de France(Swepub:lu)si7031bi (author)
Schollwöck, UlrichLudwig-Maximilian University of Munich (author)
Paeckel, SebastianLudwig-Maximilian University of Munich (author)
Lenz, BenjaminParis-Sorbonne University (author)
Ludwig-Maximilian University of MunichThe French National Centre for Scientific Research (CNRS) (creator_code:org_t)

By the author/editor: Bramberger, Max; Bacq-Labreuil, B ...; Grundner, Martin; Biermann, Silke; Schollwöck, Ulri ...; Paeckel, Sebasti ...; show more...; Lenz, Benjamin; show less...

About the subject

NATURAL SCIENCES: NATURAL SCIENCES; and Physical Science ...; and Condensed Matter ...

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