A finite-temperature ($T>0$) study of a model of a mixture of spin-zero hardcore bosons and spinless fermions, with filling fractions $rho_B$ and $rho_F$, respectively, on a two-dimensional square lattice with composite hopping $t$ is presented. The
composite hopping swaps the locations of a fermion and a boson that occupy nearest-neighbor sites of the lattice. The superfluid order parameter $psi$, the femion hopping amplitude $phi$, the chemical potential $mu$, the free energy minimum $tilde{F}$ and entropy $S$ are calculated in the limit $rho_B+rho_F=1$ within a mean-field approximation, and lead to a phase diagram in the $rho_F - T$ plane. This phase diagram consists of a metallic superfluid phase under a dome-shaped $T(rho_F)$, and insulating normal liquid and insulating normal gas phases outside the dome. These phases are separated by coupled discontinuous transitions as indicated by jumps in $psi$ and $phi$. The maximum critical transition temperature $T_c$ is observed very close to $rho_F = 1/2$. While $tilde{F} (T)$ is continuous with a derivative discontinuity at $T=T_c (rho_F)$ for $0 <rho_F le 1/2$ (first-order transition), it becomes {em discontinuous} for $rho_F>1/2$ (zeroth-order transition), where the entropy becomes negative for a range of temperatures below $T_c$. The ratio of $T_c$ to Fermi band width agrees remarkably with the ratio of $T_c$/$T_F$ (where $T_F$ is the Fermi temperature) of unconventional superfluids and superconductors like Fermi-Bose mixtures, the high-$T_c$ cuprates, iron-based and hydride superconductors, that exhibit experimental values of $T_c$ spread over nine orders of magnitude from $sim 200$nK to $sim 260$K.
We present X-ray spectroscopic evidence for the evolution of valence-specific spin states and tetragonal distortions in single-layer cobaltates. Measurements of Co $L_3$-edge resonant inelastic X-ray scattering reveal the $t_{2g}$ electronic structur
e of Co for hole-doped La$_{2-x}$Sr$_x$CoO$_4$ ($x$ = 0.5, 0.7 and 0.8). As the Sr-doping $x$ increases, the tetragonal splitting of the $t_{2g}$ states of high-spin Co$^{2+}$ decreases, whereas that of low-spin Co$^{3+}$ increases and the fraction of high-spin Co$^{3+}$ increases. The results enable us to clarify the origin of the change of magnetic anisotropy and in-plane resistivity in a mixed-valence cobaltate caused by the interplay of spin-orbit coupling and tetragonal distortion.
A model of a mixture of spinless fermions and spin-zero hardcore bosons, with filling fractions $rho_F$ and $rho_B$, respectively, on a two-dimensional square lattice with {em composite} hopping $t$ is presented. In this model, hopping swaps the loca
tions of a fermion and a boson at nearest-neighbor sites. When $rho_F+rho_B=1$, the fermion hopping amplitude $phi$ and boson superfluid amplitude $psi$ are calculated in the ground state within a mean-field approximation. The Fermi sector is insulating ($phi=0$) and the Bose sector is normal ($psi=0$) for $0 le rho_F < rho_c$. The model has {em coupled first-order} transitions at $rho_F = rho_c simeq 0.3$ where both $phi$ and $psi$ are discontinuous. The Fermi sector is metallic ($phi>0$) and the Bose sector is superfluid ($psi>0$) for $rho_c < rho_F < 1$. At $rho_F=1/2$, fermion density of states $rho$ has a van Hove singularity, the bulk modulus $kappa$ displays a cusp-like singularity, the system has a density wave (DW) order, and $phi$ and $psi$ are maximum. At $rho_F=rho_{kappa} simeq 0.81$, $kappa$ vanishes, becoming {em negative} for $rho_{kappa}<rho_F<1$. The role of composite hopping in the evolution of Fermi band dispersions and Fermi surfaces as a function of $rho_F$ is highlighted. The estimate for BEC critical temperature is in the subkelvin range for ultracold atom systems and several hundred kelvins for possible solid-state examples of the model.
We have performed angle-resolved photoemission spectroscopy on transition-metal dichalcogenide 1$T$-HfTe$_2$ to elucidate the evolution of electronic states upon potassium (K) deposition. In pristine HfTe$_2$, an in-plane hole pocket and electron poc
kets are observed at the Brillouin-zone center and corner, respectively, indicating the semimetallic nature of bulk HfTe$_2$, with dispersion perpendicular to the plane. In contrast, the band structure of heavily K-dosed HfTe$_2$ is obviously different from that of bulk, and resembles the band structure calculated for monolayer HfTe$_2$. It was also observed that lightly K-dosed HfTe$_2$ is characterized by quantized bands originating from bilayer and trilayer HfTe$_2$, indicative of staging. The results suggest that the dimensionality-crossover from 3D (dimensional) to 2D electronic states due to systematic K intercalation takes place via staging in a single sample. The study provides a new strategy for controlling the dimensionality and functionality of novel quantum materials.
We study the electronic structure of HgBa$_2$Ca$_2$Cu$_3$O$_{8+delta}$ (Hg1223 ; T$_{c}$ = 134 K) using photoemission spectroscopy (PES) and x-ray absorption spectroscopy (XAS). Resonant valence band PES across the O K-edge and Cu L-edge identify cor
relation satellites originating in O 2p and Cu 3d two-hole final states, respectively. Analyses using the experimental O 2p and Cu 3d partial density of states show quantitatively different on-site Coulomb energy for the Cu-site (U$_{dd}$ = 6.5$pm$0.5 eV) and O-site (U$_{pp}$ = 1.0$pm$0.5 eV). Cu$_{2}$O$_{7}$-cluster calculations with non-local screening explain the Cu 2p core level PES and Cu L-edge XAS spectra, confirm the U$_{dd}$ and U$_{pp}$ values, and provide evidence for the Zhang-Rice singlet state in Hg1223. In contrast to other hole-doped cuprates and 3d-transition metal oxides, the present results indicate weakly correlated oxygen holes in Hg1223.
We have studied the electronic structure of bulk single crystals and epitaxial films of magnetite Fe$_3$O$_4$. Fe $2p$ core-level spectra show clear differences between hard x-ray (HAX-) and soft x-ray (SX-) photoemission spectroscopy (PES), indicati
ve of surface effects. The bulk-sensitive spectra exhibit temperature ($T$)-dependent charge excitations across the Verwey transition at $T_V$=122 K, which is missing in the surface-sensitive spectra. An extended impurity Anderson model full-multiplet analysis reveals roles of the three distinct Fe-species (A-Fe$^{3+}$, B-Fe$^{2+}$, B-Fe$^{3+}$) below $T_V$ for the Fe $2p$ spectra, and its $T-$dependent evolution. The Fe $2p$ HAXPES spectra show a clear magnetic circular dichroism (MCD) in the metallic phase of magnetized 100-nm-thick films. The model calculations also reproduce the MCD and identify the magnetically distinct sites associated with the charge excitations. Valence band HAXPES shows finite density of states at $E_F$ for the polaronic metal with remnant order above $T_V$, and a clear gap formation below $T_V$. The results indicate that the Verwey transition is driven by changes in the strongly correlated and magnetically active B-Fe$^{2+}$ and B-Fe$^{3+}$ electronic states, consistent with resistivity and bulk-sensitive optical spectra.
The Cairo pentagonal lattice, consisting of an irregular pentagonal tiling of magnetic ions on two inequivalent sites (3- and 4-co-ordinated ones), represents a fascinating example for studying geometric frustration effects in two-dimensions. In this
work, we investigate the spin $S$ = $1/2$ Cairo pentagonal lattice with respect to selective exchange coupling (which effectively corresponds to a virtual doping of $x$ = $0, 1/6, 1/3$), in a nearest-neighbour antiferromagnetic Ising model. We also develop a simple method to quantify geometric frustration in terms of a frustration index $phi(beta,T)$, where $beta$ = $J/tilde{J}$, the ratio of the two exchange couplings required by the symmetry of the Cairo lattice. At $T = 0$, the undoped Cairo pentagonal lattice shows antiferromagnetic ordering for $beta le beta_{crit} = 2$, but undergoes a first-order transition to a ferrimagnetic phase for $beta >$ $beta_{crit}$. The results show that $phi(beta,T = 0)$ tracks the transition in the form of a cusp maximum at $beta_{crit}$. While both phases show frustration, the obtained magnetic structures reveal that the frustration originates in different bonds for the two phases. The frustration and ferrimagnetic order get quenched by selective exchange coupling, and lead to robust antiferromagnetic ordering for $x$ = 1/6 and 1/3. From mean-field calculations, we determine the temperature-dependent sub-lattice magnetizations for $x$ = $0, 1/6$ and $1/3$. The calculated results are discussed in relation to known experimental results for trivalent Bi$_2$Fe$_4$O$_9$ and mixed valent BiFe$_2$O$_{4.63}$. The study identifies the role of frustration effects, the ratio $beta$ and selective exchange coupling for stabilizing ferrimagnetic versus anti-ferromagnetic order in the Cairo pentagonal lattice.
We use hard x-ray photoemission spectroscopy (HAXPES) to investigate the electronic structure of YbAl2, for which the Yb valence has not been consistently reported to date. The bulk sensitivity and the analytical simplicity provided by the Yb 3d core
-level HAXPES allow a reliable determination of the mean valence of Yb ions. For YbAl2, it is evaluated to be +2.20, which remains nearly unchanged below 300 K. The Kondo resonance peak with an extremely high Kondo temperature (above 2000 K) is clearly identified in the valence-band spectra. The results indicate that a coherent Kondo state can be robust even in a nearly divalent system.
The Kondo resonance at the Fermi level is well-established for the electronic structure of Ce (f1 electron) and Yb (f1 hole) based systems. In this work, we report complementary experimental and theoretical studies on the Kondo resonance in Pr-based
f2 system, PrTi2Al20. Using Pr 3d-4f resonant photoemission spectroscopy and single impurity Anderson model (SIAM) calculations including the full multiplets of Pr ions, we show that an f2 system can also give rise to a Kondo resonance at the Fermi level. The Kondo resonance peak is experimentally observed through a final-state-multiplet dependent resonance and is reproduced with properly tuned hybridization strength in SIAM calculations.
We report on the electronic structure of the perovskite oxide CaCrO3 using valence-band, core-level, and Cr 2p - 3d resonant photoemission spectroscopy (PES). Despite its antiferromagnetic order, a clear Fermi edge characteristic of a metal with domi
nant Cr 3d character is observed in the valence band spectrum. The Cr 3d single particle density of states are spread over 2 eV, with the photoemission spectral weight distributed in two peaks centered at ~ 1.2 eV and 0.2 eV below EF, suggestive of the coherent and incoherent states resulting from strong electron-electron correlations. Resonant PES across the Cr 2p - 3d threshold identifies a two-hole correlation satellite and yields an on-site Coulomb energy U ~4.8 eV. The metallic DOS at EF is also reflected through the presence of a well-screened feature at low binding energy side of the Cr 2p core-level spectrum. X-ray absorption spectroscopy (XAS) at Cr L3,2 and O K edges exhibit small temperature dependent changes that point towards a small change in Cr-O hybridization. The multiplet splitting in Cr 2p core level spectrum as well as the spectral shape of the Cr XAS can be reproduced using cluster model calculations which favour a negative value for charge transfer energy between the Cr 3d and O 2p states. The overall results indicate that CaCrO3 is a strongly hybridized antiferromagnetic metal, lying in the regime intermediate to Mott-Hubbard and charge-transfer systems.
