Effects of optical intra-gap transitions on superexchange interaction in La$ _2$CuO$ _4$ with nonequilibrium photoexcited centers

Semen I. Polukeev ; Vladimir A. Gavrichkov ; Sergey G. Ovchinnikov

Žurnal Sibirskogo federalʹnogo universiteta. Matematika i fizika, Tome 11 (2018) no. 2, pp. 159-170.

Résumé

We investigated the effects of excited many-electron states in the optical control of the magnetic state in undoped Mott-Hubbard insulator. To derive the spin Hamiltonian in material under optical pumping we have used many-electron approach based on the X-operator representation. Extending the projection operators approach on arbitrary energy spectra of the Mott-Hubbard insulator, we obtained the Hamiltonian of superexchange interaction in analytical form. The Hamiltonian includes the spin-exciton variables which are usually missing in discussion on the magnetic response to optical pumping, and is not additive over contributions from the ground and optically excited states. As a test, a microscopic background for the optical induced superexchange was analyzed in La$_2$CuO$_4$(further La214).

Détail

Keywords: superexchange, optically excited states, Mott-Hubbard insulator.

Bibliographie

[1] A.Kirilyuk, A.V.Kimel, T.Rasing, “Ultrafast optical manipulation of magnetic order”, Rev. Mod. Phys., 82 (2010), 2731–2784 | DOI

[2] C.de Graaf, R.Broer, “Midinfrared spectrum of undoped cuprates: d-d transitions studied by ab initio methods”, Phys. Rev. B, 62 (2000), 702–709 | DOI

[3] R.V.Mikhaylovskiy, E.Hendry, V.V.Kruglyak, R.V.Pisarev, T.Rasing, A.V.Kimel, “Terahertz emission spectroscopy of laser-induced spin dynamics in TmFeO3 and ErFeO3 orthoferrites”, Phys. Rev. B, 90 (2014), 184405 | DOI

[4] R.V.Mikhaylovskiy, E.Hendry, A.Secchi, J.H.Mentink, M.Eckstein, A.W.R.V.Pisarev, V.V.Kruglyak, M.I.Katsnelson, T.Rasing, A.Kimel, “Ultrafast optical modification of exchange interactions in iron oxides”, Nature Communications, 6 (2015), 1–9 | DOI

[5] M.I.Katsnelson, A.I.Lichtenstein, “First-principles calculations of magnetic interactions in correlated systems”, Phys. Rev. B, 61 (2000), 8906–8912 | DOI

[6] V.V.Mazurenko, V.I.Anisimov, “Weak ferromagnetism in antiferromagnets: alfa Fe2O3 and La2CuO4”, Phys. Rev. B, 71 (2005), 184434 | DOI

[7] D.W.Boukhvalov, A.I.Lichtenstein, V.V.Dobrovitski, M.I.Katsnelson, B.N.Harmon, V.V.Mazurenko, V.I.Anisimov, “Effect of local Coulomb interactions on the electronic structure and exchange interactions in Mn12 magnetic molecules”, Phys. Rev. B, 65 (2002), 184435 | DOI

[8] M.M.Korshunov, V.A.Gavrichkov, S.G.Ovchinnikov, I.A.Nekrasov, Z.V.Pchelkina, V.I.Anisimov, “Hybrid LDA and generalized tight-binding method for electronic structure calculations of strongly correlated electron systems”, Phys. Rev. B, 72 (2005), 165104 | DOI

[9] S.G.Ovchinnikov, V.N.Zabluda, “Energy structure and optical spectra taking into account of strong electron correlations”, ZETF, 125 (2004), 150–159

[10] V.A.Gavrichkov, “A simple metal-insulator criterion for the doped Mott-Hubbard materials”, Sol. State Comm., 208 (2015), 11–14 | DOI

[11] G.Khaliullin, P.Horsch, A.M.Oles, “Theory of optical spectral weights in Mott insulators with orbital degrees of freedom”, Phys. Rev. B, 70 (2004), 195103 | DOI

[12] H.Eskes, J.H.Jefferson, “Superexchange in the cuprates”, Phys. Rev. B, 48 (1993), 9788 | DOI

[13] J.H.Jefferson, H.Eskes, L.F.Feiner, “Derivation of a single band model for $CuO_2$ planes by cell perturbation method”, Phys. Rev. B, 45 (1992), 7959 | DOI

[14] L.F.Feiner, J.H.Jefferson, R.Raimondi, “Effective single band models for high $T_c$ cuprates. I. Coulomb interactions”, Phys. Rev. B, 53 (1996), 8751 | DOI

[15] R.Raimondi, J.H.Jefferson, L.F.Feiner, “Effective single-band models for the high-$T_c$ cuprates. II. Role of apical oxygen”, Phys. Rev. B, 53 (1996), 8774–8788 | DOI

[16] V.A.Gavrichkov, S.G.Ovchinnikov, “Influence of Two-Particle Excited States on the Interatomic Exchange Interaction in $La_2CuO_4$”, Physics of the Solid State, 50 (2008), 1081-1086 | DOI

[17] J.Hubbard, “Electron Correlations in Narrow Energy Bands. IV. The Atomic Representation”, Proc. Roy. Soc., A 285 (1965), 542 | DOI | MR

[18] V.A.Gavrichkov, Z.V.Pchelkina, I.A.Nekrasov, S.G.Ovchinnikov, “Pressure effect on the energy structure and superexchange interaction in undoped orthorhombic La2CuO4”, Int. J. Mod. Phys. B, 30 (2016), 1650180 | DOI

[19] P.W.Anderson, G.Rado, (Ed.), Exchange in Insulators: Superexchange, Direct Exchange, and Double Exchange, v. II, Elsevier Inc., 1963, 25–81

[20] K.A.Chao, J.Spalek, A.M.Oles, “Kinetic exchange interaction in a narrow S-band”, Journal of Physics C: Solid State Physics, 10 (1977), L271 | DOI

[21] B.S.Shastry, “t-J Model and Nuclear Magnetic Relaxation in High-$T_c$ Materials”, Phys. Rev. Lett., 63 (1989), 1288–1291 | DOI

[22] V.A.Gavrichkov, A.A.Borisov, S.G.Ovchinnikov, “Angle-resolved photoemission data and quasiparticle spectra in antiferromagnetic insulators $Sr_2CuO_2Cl_2$ and $Ca_2CuO_2Cl_2$”, Phys. Rev. B, 64 (2001), 235124 | DOI

[23] V.A.Gavrichkov, S.G.Ovchinnikov, L.E.Yakimov, “The Role of Orbital Ordering in the Formation of Electron Structure in Undoped LaMnO3 Manganites in the Regime of Strong Electron Correlations”, JETP, 102 (2006), 972-985 | DOI

[24] V.A.Gavrichkov, S.G.Ovchinnikov, Z.V.Pchelkina, I.A.Nekrasov, “Quasiparticle in CMR oxides in para- and ferromagnetic phases”, J. Phys.: Conf. Ser., 200 (2010), 012046 | DOI

[25] V.A.Gavrichkov, S.G.Ovchinnikov, I.A.Nekrasov, Z.V.Pchelkina, “Electronic Structure of p-Type La1 - x MnO3 Manganites in the Ferromagnetic and Paramagnetic Phases in the LDA + GTB Approach”, JETP, 112 (2001), 860-876 | DOI

[26] S.G.Ovchinnikov, Y.S.Orlov, I.A.Nekrasov, Z.V.Pchelkina, “Electronic Structure, Magnetic Properties, and Mechanism of the Insulator-Metal Transition in LaCoO3 Taking into Account Strong Electron Correlations”, JETP, 112 (2011), 140–151 | DOI

[27] Y.S.Orlov, L.A.Solovyov, V.A.Dudnikov, A.S.Fedorov, A.A.Kuzubov, N.V.Kazak, V.N.Voronov, S.N.Vereshchagin, N.N.Shishkina, N.S.Perov, K.V.Lamonova, R.Y.Babkin, Y.G.Pashkevich, A.G.Anshits, S.G.Ovchinnikov, “Structural properties and high-temperature spin and electronic transitions in GdCoO3: Experiment and theory”, Phys. Rev. B, 88 (2013), 235105 | DOI

[28] S.G.Ovchinnikov, V.V.Val'kov, Hubbard operators in the theory strongly correlated electrons, Imperial College Press, London, 2004, 241 pp. | Zbl

[29] S.G.Ovchinnikov, V.A.Gavrichkov, M.M.Korshunov, E.I.Shneyder, A.Avella, F.Mancini (eds.), “LDA+GTB method for band structure calculations in the strongly correlated materials”, Theoretical Methods for strongly Correlated systems, Springer Series in Solid-State Sciences, 171, Springer, Berlin–Heidelberg, 2012, 143–171 | DOI | MR

[30] R.O.Zaitsev, “Generalized diagram technique and spin waves in an anisotropic ferromagnet”, JETP, 41 (1975), 100

[31] Y. B.Gaididei, V.M.Loktev, “On a Theory of the Electronic Spectrum and Magnetic Properties of High-$T_c$ Superconductors”, Phys. Status Solidi B, 147 (1988), 307 | DOI

[32] V. Varma, S.Schmitt-Rink, E.Abrahams, “Charge transfer excitations and superconductivity in "ionic" metals”, Solid State Communications, 62 (1987), 681 | DOI

[33] V.J.Emery, “Theory of High-$T_c$ Superconductivity in Oxides”, Phys. Rev. Lett., 58 (1987), 2794–2797 | DOI

[34] J.Zaanen, A.M.Oles, “Canonical pertnrhation theory and the two-hand model for high-Tc superconductors”, Phys. Rev. B, 37 (1988), 9423–9438 | DOI

[35] H.Eskes, G.A.Sawatzky, L.F.Feiner, “Effective transfer for singlets formed by hole doping in the high-Tc superconductors”, Physica C, 160 (1989), 424 | DOI

[36] Y.Ohta, T.Tohyama, S.Maekawa, “Charge-transfer gap and superexchange interaction in insulating cuprates”, Phys. Rev. Lett., 66 (1991), 1228 | DOI

[37] E.B.Stechel, D.R.Jennison, “Electronic structure of {C}u{O}$_2$ sheets and spin-driven high-{T}$_c$ superconductivity”, Phys. Rev. B, 38 (1988), 4632 | DOI

[38] J.F.Annett, R.M.Martin, A.K.McMahan, Satpathy, “Electronic Hamiltonian and antiferromagnetic interactions in $La_2CuO_4$”, Phys. Rev. B, 40 (1989), 2620 | DOI

[39] M.V.Eremin, Y.V.Rakitin, “Kinetic exchange at low charge transfer energies”, J. Phys. C: Solid State Phys., 14 (1981), 247–253 | DOI