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1. Electronic structure of Co $3d$ states in the Kitaev material candidate honeycomb cobaltate ${\mathrm{Na}}_3{\mathrm{Co}}_2{\mathrm{SbO}}_6$ probed with x-ray dichroism

   https://doi.org/10.1103/PhysRevB.107.214443  

   van Veenendaal, M.; Poldi, E. H.; Veiga, L. S.; Bencok, P.; Fabbris, G.; Tartaglia, R.; McChesney, J. L.; Freeland, J. W.; Hemley, R. J.; Zheng, H.; et al (June 2023, Physical Review B)

   none (Ed.)

   The recent prediction that honeycomb lattices of Co2+ (3d7) ions could host dominant Kitaev interactions provides an exciting direction for exploration of new routes to stabilizing Kitaev’s quantum spin liquid in real materials. Na3Co2SbO6 has been singled out as a potential material candidate provided that spin and orbital moments couple into a Jeff = 1/2 ground state, and that the relative strength of trigonal crystal field and spin-orbit coupling acting on Co ions can be tailored. Using x-ray linear dichroism (XLD) and x-ray magnetic circular dichroism (XMCD) experiments, alongside configuration interaction calculations, we confirm the counterintuitive positive sign of the trigonal crystal field acting on Co2+ ions and test the validity of the Jeff = 1/2 description of the electronic ground state. The results lend experimental support to recent theoretical predictions that a compression (elongation) of CoO6 octahedra along (perpendicular to) the trigonal axis would drive this cobaltate toward the Kitaev limit, assuming the Jeff = 1/2 character of the electronic ground state is preserved. 

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2. Valence, charge transfer, and orbital-dependent correlation in bilayer nickelates ${\mathrm{Nd}}_3{\mathrm{Ni}}_2{\mathrm{O}}_7$

   https://doi.org/10.1103/PhysRevB.111.165101  

   Takegami, Daisuke; Okauchi, Takaki; Morales, Edgar Abarca; Fujinuma, Koto; Furo, Mizuki; Yoshimura, Masato; Tsuei, Ku-Ding; Pan, Grace A; Segedin, Dan Ferenc; Song, Qi; et al (April 2025, Physical Review B)

   We examine the bulk electronic structure of ${\mathrm{Nd}}_3{\mathrm{Ni}}_2{\mathrm{O}}_7$using Ni $2p$core-level hard x-ray photoemission spectroscopy combined with density functional theory $+$dynamical mean-field theory. Our results reveal a large deviation of the Ni $3d$occupation from the formal ${\mathrm{Ni}}^{2.5+}$valency, highlighting the importance of the charge transfer from oxygen ligands. We find that the dominant $d^8$configuration is accompanied by nearly equal contributions from $d^7$and $d^9$states, exhibiting an unusual valence state among Ni-based oxides. Finally, we discuss the Ni $d_{x^2-y^2}$and $d_{z^2}$orbital-dependent hybridization, correlation and local spin dynamics. Published by the American Physical Society2025 

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3. Structure and equation of state of ${\mathrm{Bi}}_2{\mathrm{Sr}}_2{\mathrm{Ca}}_{n-1}{\mathrm{Cu}}_n{\mathrm{O}}_{2n+4+\delta }$ from x-ray diffraction to megabar pressures

   https://doi.org/10.1103/PhysRevMaterials.7.064803  

   Mark, Alexander C.; Ahart, Muhtar; Kumar, Ravhi; Park, Changyong; Meng, Yue; Popov, Dmitry; Deng, Liangzi; Chu, Ching-Wu; Campuzano, Juan Carlos; Hemley, Russell J. (June 2023, Physical Review Materials)

   - (Ed.)

   Pressure is a unique tuning parameter for probing the properties of materials, and it has been particularly useful for studies of electronic materials such as high-temperature cuprate superconductors. Here we report the effects of quasihydrostatic compression produced by a neon pressure medium on the structures of bismuth-based high-Tc cuprate superconductors with the nominal composition Bi2Sr2Can−1CunO2n+4+δ (n = 1, 2, 3) up to 155 GPa. The structures of all three compositions obtained by synchrotron x-ray diffraction can be described as pseudotetragonal over the entire pressure range studied. We show that previously reported pressure-induced distortions and structural changes arise from the large strains that can be induced in these layered materials by nonhydrostatic stresses. The pressure-volume equations of state (EOS) measured under these quasihydrostatic conditions cannot be fit to single phenomenological formulation over the pressure ranges studied, starting below 20 GPa. This intrinsic anomalous compression as well as the sensitivity of Bi2Sr2Can−1CunO2n+4+δ to deviatoric stresses provide explanations for the numerous inconsistencies in reported EOS parameters for these materials. We conclude that the anomalous compressional behavior of all three compositions is a manifestation of the changes in electronic properties that are also responsible for the remarkable nonmonotonic dependence of Tc with pressure, including the increase in Tc at the highest pressures studied so far for each. Transport and spectroscopic measurements up to megabar pressures are needed to fully characterize these cuprates and explore higher possible critical temperatures in these materials. 

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4. Superconductivity in the Parent Infinite-Layer Nickelate ${\mathrm{NdNiO}}_2$

   https://doi.org/10.1103/PhysRevX.15.021048  

   Parzyck, C T; Wu, Y; Bhatt, L; Kang, M; Arthur, Z; Pedersen, T M; Sutarto, R; Fan, S; Pelliciari, J; Bisogni, V; et al (May 2025, Physical Review X)

   We report evidence for superconductivity with onset temperatures up to 11 K in thin films of the infinite-layer nickelate parent compound ${\mathrm{NdNiO}}_2$. A combination of oxide molecular beam epitaxy and atomic hydrogen reduction yields samples with high crystallinity and low residual resistivities, a substantial fraction of which exhibit superconducting transitions. We survey a large series of samples with a variety of techniques, including electrical transport, scanning transmission electron microscopy, x-ray absorption spectroscopy, and resonant inelastic x-ray scattering, to investigate the possible origins of superconductivity. We propose that superconductivity could be intrinsic to the undoped infinite-layer nickelates but suppressed by disorder due to a possibly sign-changing order parameter, a finding which would necessitate a reconsideration of the nickelate phase diagram. Another possible hypothesis is that the parent materials can be hole doped from randomly dispersed apical oxygen atoms, which would suggest an alternative pathway for achieving superconductivity. Published by the American Physical Society2025 

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5. First-principles electron-phonon interactions and polarons in the parent cuprate ${\mathrm{La}}_2{\mathrm{CuO}}_4$

   https://doi.org/10.1103/PhysRevResearch.7.L012073  

   Chang, Benjamin K; Timrov, Iurii; Park, Jinsoo; Zhou, Jin-Jian; Marzari, Nicola; Bernardi, Marco (March 2025, Physical Review Research)

   Understanding electronic interactions in high-temperature superconductors is an outstanding challenge. In the widely studied cuprate materials, experimental evidence points to strong electron-phonon ( $e$-ph) coupling and broad photoemission spectra. Yet, the microscopic origin of this behavior is not fully understood. Here, we study $e$-ph interactions and polarons in a prototypical parent (undoped) cuprate, ${\mathrm{La}}_2{\mathrm{CuO}}_4$(LCO), by means of first-principles calculations. Leveraging parameter-free Hubbard-corrected density functional theory, we obtain a ground state with the band gap and Cu magnetic moment in nearly exact agreement with experiments. This enables a quantitative characterization of $e$-ph interactions. Our calculations reveal two classes of longitudinal optical (LO) phonons with strong $e$-ph coupling to hole states. These modes consist of bond stretching and bond bending in the Cu-O plane as well as vibrations of apical O atoms. The hole spectral functions, obtained with a cumulant method that can capture strong $e$-ph coupling, exhibit broad quasiparticle peaks with a small spectral weight ( $Z\approx 0.25$) and pronounced LO-phonon sidebands characteristic of polaron effects. Our calculations predict features observed in photoemission spectra, including a 40-meV peak in the $e$-ph coupling distribution function not explained by existing models. These results show that the universal strong $e$-ph coupling found experimentally in doped lanthanum cuprates is also present in the parent compound, and elucidate its microscopic origin. 

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