The magnetic structures of LaTiO3 and CeTiO3

Goral, J.P.; Greedan, J. E.

doi:10.1016/0304-8853(83)90062-8

Cited by 77 publications

(58 citation statements)

References 15 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In the G-type AFM ground state, our HSE06 value for pd = 2.9 eV is in excellent agreement with the 3 eV value reported experimentally. 95 Also, the CT gap is only 0.5 eV higher than the experimentally measured value of 4.5 eV, which constitutes an improvement over the previous LDA + U calculation. 92 However, M gap and μ are higher than the experimentally reported values.…”

Section: Latiosupporting

confidence: 56%

Structural phase transitions of the metal oxide perovskites SrTiO3, LaAlO3, and LaTiO3studied with a scree

et al. 2013

View full text Add to dashboard Cite

We have investigated the structural phase transitions of the transition metal oxide perovskites SrTiO 3 , LaAlO 3 , and LaTiO 3 using the screened hybrid density functional of Heyd, Scuseria, and Ernzerhof (HSE06). We show that HSE06-computed lattice parameters, octahedral tilts, and rotations, as well as electronic properties, are significantly improved over semilocal functionals. We predict the crystal-field splitting ( CF ) resulting from the structural phase transition in SrTiO 3 and LaAlO 3 to be 3 meV and 10 meV, respectively, in excellent agreement with experimental results. HSE06 identifies correctly LaTiO 3 in the magnetic states as a Mott insulator. Also, it predicts that the GdFeO 3 -type distortion in nonmagnetic LaTiO 3 will induce a large CF of 410 meV. This large crystal-field splitting associated with the large magnetic moment found in the G-type antiferromagnetic state suggests that LaTiO 3 has an induced orbital order, which is confirmed by the visualization of the highest occupied orbitals. These results strongly indicate that HSE06 is capable of efficiently and accurately modeling perovskite oxides and promises to efficiently capture the physics at their heterointerfaces.

show abstract

Section: Latiosupporting

confidence: 56%

Structural phase transitions of the metal oxide perovskites SrTiO3, LaAlO3, and LaTiO3studied with a scree

et al. 2013

View full text Add to dashboard Cite

show abstract

“…This compound has attracted attention when an ordered magnetic moment of 0.45-0.46 B was reported. 2,3 This value is surprisingly small for a single electron with quenched orbital moment, for which one would have expected 1 B . In LaTiO 3 , this value may be reduced by about 15.6% due to quantum fluctuations of the three-dimensional ͑3D͒ Heisenberg model, 4 and by about further 14% due to the on-site spin-orbit coupling ͑in conjunction with the crystal field, as will follow from our calculations͒, leading to an overall estimate of 0.72 B .…”

Section: Introductionmentioning

confidence: 94%

“…To exemplify this point, we consider the expectation value of H M , expressed in terms of the angles and , and, by the symmetries of the sublattice couplings, in terms of the couplings between the sublattice bonds ij = 12 and 13, 2 , and sin sin which are also of order 2 ͒, and the 2 correction of D 13 Dx ͑which is multiplied by sin sin ͒. Those contributions have been excluded from our calculation of the canting angles.…”

Section: A the Magnetic Order Of The Classical Ground Statementioning

confidence: 99%

Magnetic structure of the Jahn-Teller systemLaTiO3

et al. 2005

View full text Add to dashboard Cite

We investigate the effect of the experimentally observed Jahn-Teller distortion of the oxygen octahedra in LaTiO 3 on the magnetic exchange. We present a localized model for the effective hopping between nearestneighbor Ti ions and the intrasite Coulomb interactions, based on a nondegenerate orbital ground state due to the static crystal field. The latter corresponds to an orbital order which has recently been confirmed experimentally. Using perturbation theory we calculate, in addition to the Heisenberg coupling, antisymmetric (Dzyaloshinskii-Moriya) and symmetric anisotropy terms of the superexchange spin Hamiltonian, which are caused by the spin-orbit interaction. Employing this spin Hamiltonian, we deduce that at low temperatures the spins have predominantly a G-type antiferromagnetic ordering along the crystallographic a axis, accompanied by a weak ferromagnetic moment along the c axis and by a weak A-type antiferromagnetic moment along the b axis. The first two components are found to be in good agreement with experiment. Disciplines PhysicsThis journal article is available at ScholarlyCommons: http://repository.upenn.edu/physics_papers/333 We investigate the effect of the experimentally observed Jahn-Teller distortion of the oxygen octahedra in LaTiO 3 on the magnetic exchange. We present a localized model for the effective hopping between nearestneighbor Ti ions and the intrasite Coulomb interactions, based on a nondegenerate orbital ground state due to the static crystal field. The latter corresponds to an orbital order which has recently been confirmed experimentally. Using perturbation theory we calculate, in addition to the Heisenberg coupling, antisymmetric ͑Dzyaloshinskii-Moriya͒ and symmetric anisotropy terms of the superexchange spin Hamiltonian, which are caused by the spin-orbit interaction. Employing this spin Hamiltonian, we deduce that at low temperatures the spins have predominantly a G-type antiferromagnetic ordering along the crystallographic a axis, accompanied by a weak ferromagnetic moment along the c axis and by a weak A-type antiferromagnetic moment along the b axis. The first two components are found to be in good agreement with experiment.

show abstract

“…Below the Néel temperature T N = 146 K, 2 LaTiO 3 reveals a slightly canted G-type antiferromagnetic structure with an ordered moment of 0.46µ B , 3,4 which is strongly reduced as compared to the spin-only value of 1µ B and, hence, indicates a strong importance of the spin-orbit coupling. On the other hand the nearly isotropic spin-wave dispersion with a small gap of about 3 meV contradicts a dominant spin-orbit coupling.…”

Section: Introductionmentioning

confidence: 99%

Anisotropy of the paramagnetic susceptibility in LaTiO3: The electron-distribution picture in the ground state

et al. 2004

View full text Add to dashboard Cite

The energy-level scheme and wave functions of the titanium ions in LaTiO3 are calculated using crystal-field theory and spin-orbit coupling. The theoretically derived temperature dependence and anisotropy of the magnetic susceptibility agree well with experimental data obtained in an untwinned single crystal. The refined fitting procedure reveals an almost isotropic molecular field and a temperature dependence of the van Vleck susceptibility. The charge distribution of the 3d-electron on the Ti positions and the principle values of the quadrupole moments are derived and agree with NMR data and recent measurements of orbital momentum l and crystal-field splitting. The low value of the ordered moment in the antiferromagnetic phase is discussed.

show abstract

The magnetic structures of LaTiO3 and CeTiO3

Cited by 77 publications

References 15 publications

Structural phase transitions of the metal oxide perovskites SrTiO3, LaAlO3, and LaTiO3studied with a scree

Structural phase transitions of the metal oxide perovskites SrTiO3, LaAlO3, and LaTiO3studied with a scree

Magnetic structure of the Jahn-Teller systemLaTiO3

Anisotropy of the paramagnetic susceptibility in LaTiO3: The electron-distribution picture in the ground state

Contact Info

Product

Resources

About