Orbital-overlap-driven hybridization in 3d-transition metal perovskite oxides LaMO₃ (M = Ti-Ni) and La₂CuO₄

Liu, C. Y., Celiberti, L., Decker, R., Ruotsalainen, K., Siewierska, K., Kusch, M., Wang, R. P., Kim, D. J., Olaniyan, I. I., Di Castro, D., Tomiyasu, K., van der Minne, E., Birkhölzer, Y. A., Kiens, E. M., van den Bosch, I. C. G., Patil, K. N., Baeumer, C., Koster, G., Lazemi, M., de Groot, F. M. F., & 3 othersDubourdieu, C., Franchini, C. & Föhlisch, A., 14 May 2024, In: Communications Physics. 7, 1, 7 p., 156.

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Spin-orbital Jahn-Teller bipolarons

Celiberti, L., Fiore Mosca, D., Allodi, G., Pourovskii, L. V., Tassetti, A., Forino, P. C., Cong, R., Garcia, E., Tran, P. M., Renzi, R. D., Woodward, P. M., Mitrović, V. F., Sanna, S. & Franchini, C., 18 Mar 2024, In: Nature Communications. 15, 9 p., 2429.

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The Mott transition in the 5d¹ compound Ba₂NaOsO₆: a DFT+DMFT study with PAW spinor projectors

Fiore Mosca, D., Schnait, H., Celiberti, L., Aichhorn, M. & Franchini, C., 30 Jan 2024, In: Computational Materials Science. 233, 6 p., 112764.

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