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.
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