Magnetic behavior in the series LaxY1−xTiO3

Goral, J.P.; Greedan, J. E.; MacLean, David A.

doi:10.1016/0022-4596(82)90236-5

Cited by 89 publications

(67 citation statements)

References 4 publications

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“…We use this basis transformation to study, e.g., the low-temperature ferromagnetic transition of the low-symmetry t one of the few ferromagnetic Mott insulators. Figure 6 shows that the theoretical critical temperature is about 50 K, in very good agreement with experiments [22], which yield T C ∼ 30 K. For systems in which spin-orbit is included, we find that the sign problem can be tamed by a unitary transformation to a basis in which the local Green function is real. The specific form of the transformation will be discussed later, in the subsection about the Fermi surface of Sr 2 RuO 4 [19]; the precise form of the transformation depends on the system as can be seen by comparing to the case of Ca 2 RuO 4 [23].…”

Section: The European Physical Journal Special Topicssupporting

confidence: 83%

Massively parallel simulations of strong electronic correlations: Realistic Coulomb vertex and multiplet effects

Baumgärtel

Ghanem

Kiani

et al. 2017

Eur. Phys. J. Spec. Top.

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Abstract. We discuss the efficient implementation of general impurity solvers for dynamical mean-field theory. We show that both Lanczos and quantum Monte Carlo in different flavors (Hirsch-Fye, continuoustime hybridization-and interaction-expansion) exhibit excellent scaling on massively parallel supercomputers. We apply these algorithms to simulate realistic model Hamiltonians including the full Coulomb vertex, crystal-field splitting, and spin-orbit interaction. We discuss how to remove the sign problem in the presence of non-diagonal crystal-field and hybridization matrices. We show how to extract the physically observable quantities from imaginary time data, in particular correlation functions and susceptibilities. Finally, we present benchmarks and applications for representative correlated systems.

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Section: The European Physical Journal Special Topicssupporting

confidence: 83%

Massively parallel simulations of strong electronic correlations: Realistic Coulomb vertex and multiplet effects

Baumgärtel

Ghanem

Kiani

et al. 2017

Eur. Phys. J. Spec. Top.

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“…Although the difference between the longer and shorter bond length is relatively small, LaTiO 3 also shows a d-type JT distortion. Recently, electronic and magnetic phase diagrams have been investigated intensively as functions of the magnitude of a Ti-O-Ti bond angle distortion 3,4,5,6) . In the less distorted or a La-rich(y < 0.6) region, the system shows AFM ground state.…”

Section: §1 Introductionmentioning

confidence: 99%

Magnetic Phase Transition of the Perovskite-Type Ti Oxides

Mochizuki

Imada

2000

J. Phys. Soc. Jpn.

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Properties and mechanism of the magnetic phase transition of the perovskite-type Ti oxides, which is driven by the Ti-O-Ti bond angle distortion, are studied theoretically by using the effective spin and pseudo-spin Hamiltonian with strong Coulomb repulsion.It is shown that the A-type antiferromagnetic(AFM(A)) to ferromagnetic(FM) phase transition occurs as the Ti-O-Ti bond angle is decreased. Through this phase transition, the orbital state is hardly changed so that the spin-exchange coupling along the c-axis changes nearly continuously from positive to negative and takes approximately zero at the phase boundary. The resultant strong two-dimensionality in the spin coupling causes a rapid suppression of the critical temperature as is observed experimentally.KEYWORDS: perovskite-type Ti oxides, GdFeO 3 -type distortion, d-level degeneracy, orbital ordering, second-order perturbation theory, A-type antiferromagnetism, Mermin and Wagner's theorem §1. Introduction Perovskite-type Ti oxide RTiO 3 (R being a trivalent rare-earth ion) is a typical MottHubbard insulator 1) . Ti 3+ has a 3d 1 configuration, and one of the three-fold t 2g orbitals is occupied at each transition-metal site. The crystal structure is an orthorhombically distorted perovskite (GdFeO 3 -type distortion) whose unit cell contains four octahedra as shown in Fig. 1. The magnitude of the distortion depends on the ionic radii of the R ion. With a small ionic radius of R ion, the lattice structure is more distorted and the bond angle is

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“…This short bond seems to cause the inversed orthorhombic splitting seen in many weakly distorted perovskites, as discussed above. For the smaller rare earths, however, the systems seems to avoid the ex- 51 , circles: values for La1−xYxTiO3 from Okimoto et al 3 , stars: values for La1−xYxTiO3 from Goral et al 52 . The inserts show the principal octahedral deformations of the end members.…”

Section: Magnetostriction and Thermal-expansion Measurementsmentioning

confidence: 99%

“…La 1−x Y x TiO 3 was thought to be a good system since there is no magnetic moment on the RE site. Several groups have already studied this system, see references 51,52 . Indeed this system shows the transition from antiferromagnetism to ferromagnetism between 30 and 40 % of Y 52 .…”

Section: Magnetostriction and Thermal-expansion Measurementsmentioning

confidence: 99%

Magnetoelastic coupling inRTiO3(R=La,Nd
Komarek
¹
,
Roth
²
,
Cwik
³

et al. 2007
Phys. Rev. B
129
11
154
0
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A detailed analysis of the crystal structure in RETiO3 with RE = La, Nd, Sm, Gd, and Y reveals an intrinsic coupling between orbital degrees of freedom and the lattice which cannot be fully attributed to the structural deformation arising from bond-length mismatch. The TiO6 octahedra in this series are all irregular with the shape of the distortion depending on the RE ionic radius. These octahedron distortions vary more strongly with temperature than the tilt and rotation angles. Around the Ti magnetic ordering all compounds exhibit strong anomalies in the thermal-expansion coefficients, these anomalies exhibit opposite signs for the antiferromagnetic and ferromagnetic compounds. Furthermore the strongest effects are observed in the materials close to the magnetic cross-over from antiferromagnetic to ferromagnetic order.

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Magnetic behavior in the series LaxY1−xTiO3

Cited by 89 publications

References 4 publications

Massively parallel simulations of strong electronic correlations: Realistic Coulomb vertex and multiplet effects

Massively parallel simulations of strong electronic correlations: Realistic Coulomb vertex and multiplet effects

Magnetic Phase Transition of the Perovskite-Type Ti Oxides

Magnetoelastic coupling inRTiO3(R=La,Nd
Komarek
¹
,
Roth
²
,
Cwik
³

et al. 2007
Phys. Rev. B
129
11
154
0
View full text Add to dashboard Cite

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Magnetic behavior in the series LaxY1−xTiO3

Cited by 89 publications

References 4 publications

Massively parallel simulations of strong electronic correlations: Realistic Coulomb vertex and multiplet effects

Massively parallel simulations of strong electronic correlations: Realistic Coulomb vertex and multiplet effects

Magnetic Phase Transition of the Perovskite-Type Ti Oxides

Magnetoelastic coupling inRTiO3(R=La,NdKomarek1, Roth2, Cwik3 et al. 2007Phys. Rev. B129111540View full textAdd to dashboardCite

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Magnetoelastic coupling inRTiO3(R=La,Nd
Komarek
¹
,
Roth
²
,
Cwik
³

et al. 2007
Phys. Rev. B
129
11
154
0
View full text Add to dashboard Cite