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Defect-induced orbital polarization and collapse of orbital order in doped vanadium perovskites
Strongly Correlated Electrons · Submitted 22 Nov 2018
abstract compiled · 2026-09-23 · no language-model review
The authors' main claim We show that the rotation of occupied $t_{2g}$ orbitals, induced by the electric field of defects, is a very efficient perturbation that largely controls the suppression of orbital order in these compounds.
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The abstract, sentence by sentence
We explore mechanisms of orbital order decay in doped Mott insulators $R_{1-x}$(Sr,Ca)$_x$VO$_3$ ($R=\,$Pr,Y,La) caused by charged (Sr,Ca) defects. Our unrestricted Hartree-Fock analysis focuses on the combined effect of random, charged impurities and associated doped holes up to $x=0.5$. The study is based on a generalized multi-band Hubbard model for the relevant vanadium $t_{2g}$ electrons, and includes the long-range (i) Coulomb potentials of defects and (ii) electron-electron interactions. We show that the rotation of occupied $t_{2g}$ orbitals, induced by the electric field of defects, is a very efficient perturbation that largely controls the suppression of orbital order in these compounds. We investigate the inverse participation number spectra and find that electron states remain localized on few sites even in the regime where orbital order is collapsed. From the change of kinetic and superexchange energy we can conclude that the motion of doped holes, which is the dominant effect for the reduction of magnetic order in high-$T_c$ compounds, is of secondary importance here.
background contribution method result interpretation main claim
| # | sentence | role | the authors' own work | states the main conclusion | strength |
|---|---|---|---|---|---|
| s0 | We explore mechanisms of orbital order decay in doped Mott insulators $R_{1-x}$(Sr,Ca)$_x$VO$_3$ ($R=\,$Pr,Y,La) caused by charged (Sr,Ca) defects. | contribution 0.94 | 0.86 | 0.09 | asserted 0.58 |
| s1 | Our unrestricted Hartree-Fock analysis focuses on the combined effect of random, charged impurities and associated doped holes up to $x=0.5$. | method 0.90 | 0.94 | 0.04 | asserted 0.79 |
| s2 | The study is based on a generalized multi-band Hubbard model for the relevant vanadium $t_{2g}$ electrons, and includes the long-range (i) Coulomb potentials of defects and (ii) electron-electron interactions. | method 1.00 | 0.75 | 0.03 | asserted 0.97 |
| s3 | We show that the rotation of occupied $t_{2g}$ orbitals, induced by the electric field of defects, is a very efficient perturbation that largely controls the suppression of orbital order in these compounds. | result 0.65 | 0.93 | 0.81 | asserted 1.00 |
| s4 | We investigate the inverse participation number spectra and find that electron states remain localized on few sites even in the regime where orbital order is collapsed. | result 0.99 | 0.97 | 0.07 | asserted 1.00 |
| s5 | From the change of kinetic and superexchange energy we can conclude that the motion of doped holes, which is the dominant effect for the reduction of magnetic order in high-$T_c$ compounds, is of secondary importance here. | interpretation 0.76 | 0.89 | 0.15 | asserted 1.00 |
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Original abstract
We explore mechanisms of orbital order decay in doped Mott insulators $R_{1-x}$(Sr,Ca)$_x$VO$_3$ ($R=\,$Pr,Y,La) caused by charged (Sr,Ca) defects. Our unrestricted Hartree-Fock analysis focuses on the combined effect of random, charged impurities and associated doped holes up to $x=0.5$. The study is based on a generalized multi-band Hubbard model for the relevant vanadium $t_{2g}$ electrons, and includes the long-range (i) Coulomb potentials of defects and (ii) electron-electron interactions. We show that the rotation of occupied $t_{2g}$ orbitals, induced by the electric field of defects, is a very efficient perturbation that largely controls the suppression of orbital order in these compounds. We investigate the inverse participation number spectra and find that electron states remain localized on few sites even in the regime where orbital order is collapsed. From the change of kinetic and superexchange energy we can conclude that the motion of doped holes, which is the dominant effect for the reduction of magnetic order in high-$T_c$ compounds, is of secondary importance here.
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