2018
DOI: 10.3390/app8112151
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Strain Induced Metal–Insulator Transition of Magnetic SrRuO3 Single Layer in SrRuO3/SrTiO3 Superlattice

Abstract: Ferromagnetic phase in a two-dimensional system plays an important role not only in applications but also in studies of phase transition theory. Among numerous ferromagnetic materials, Sr Ru O 3 is famous for its half-metallicity, itinerant ferromagnetism and non-Fermi liquid metalicity. Single layer Sr Ru O 3 in Sr Ru O 3 / Sr Ti O 3 (SRO/STO) superlattice has been predicted as a two-dimensional half-metallic ferromagnetic system based on density functional theory (DFT). … Show more

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Cited by 5 publications
(4 citation statements)
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“…The energy criteria was 1×10 −6 eV. To account for the electron correlations in d-orbitals, the on-site Coulomb repulsion U with U = 3.5 eV and J = 0.6 eV was concluded [58,59] using the rotationally invariant LDA+U method introduced by Liechtenstein et al [60]…”
Section: Methodsmentioning
confidence: 99%
“…The energy criteria was 1×10 −6 eV. To account for the electron correlations in d-orbitals, the on-site Coulomb repulsion U with U = 3.5 eV and J = 0.6 eV was concluded [58,59] using the rotationally invariant LDA+U method introduced by Liechtenstein et al [60]…”
Section: Methodsmentioning
confidence: 99%
“…The influences of the lattice anisotropy (c/a) and the oxygen octahedral rotation are examined according to the experimentally measured values in Figure 3. Considering the experimental data and previously reported calculations on the SRO system, [40][41][42] an effective Hubbard parameter U eff = 3 eV is adopted for our calculations. Here, we define the total energy difference by considering the spin-quantization axis is IP (E // ) and OOP (E ⟘ ) as MAE, i.e., MAE = E // -E ⟘ .…”
Section: First-principles Calculationsmentioning
confidence: 99%
“…This scenario of stacking is very popular to explore interesting properties at the two-dimensional perovskite materials [40][41][42]. For ferromagnet SrRuO 3 below 2-4 unit cells, ferromagnetic/metal to antiferromagnetic/insulator transitions were predicted as the result of inversion symmetry breaking combined with non-degenerate Ru 4d orbitals via crystal field splitting [43][44][45].…”
Section: Introductionmentioning
confidence: 99%