Orbital orderings and optical conductivity of SrRuO<sub>3</sub>and CaRuO<sub>3</sub>: first-principles studies

Wang, Guangtao; Zhang, Minping; Yang, Zhou; Fang, Zhong

doi:10.1088/0953-8984/21/26/265602

Cited by 20 publications

(13 citation statements)

References 40 publications

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“…This model yields thickness 105.15 nm for the SRO layer and the dielectric spectra displayed in Figure 3b. The center energy of the four oscillators is 0.95, 1.71, 3.18, and 9.89 eV, respectively, and is comparable to the reported optical transition for SRO at 1.0, 1.7, 3.0, and 10.0 eV [23,24], which indicates that the extracted dielectric functions are reliable.…”

Section: Resultssupporting

confidence: 76%

Optical properties of epitaxial BiFeO3 thin film grown on SrRuO3-buffered SrTiO3 substrate

Zhang

Chen

et al. 2014

Nanoscale Res Lett

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The BiFeO3 (BFO) thin film was deposited by pulsed-laser deposition on SrRuO3 (SRO)-buffered (111) SrTiO3 (STO) substrate. X-ray diffraction pattern reveals a well-grown epitaxial BFO thin film. Atomic force microscopy study indicates that the BFO film is rather dense with a smooth surface. The ellipsometric spectra of the STO substrate, the SRO buffer layer, and the BFO thin film were measured, respectively, in the photon energy range 1.55 to 5.40 eV. Following the dielectric functions of STO and SRO, the ones of BFO described by the Lorentz model are received by fitting the spectra data to a five-medium optical model consisting of a semi-infinite STO substrate/SRO layer/BFO film/surface roughness/air ambient structure. The thickness and the optical constants of the BFO film are obtained. Then a direct bandgap is calculated at 2.68 eV, which is believed to be influenced by near-bandgap transitions. Compared to BFO films on other substrates, the dependence of the bandgap for the BFO thin film on in-plane compressive strain from epitaxial structure is received. Moreover, the bandgap and the transition revealed by the Lorentz model also provide a ground for the assessment of the bandgap for BFO single crystals.

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Section: Resultssupporting

confidence: 76%

Optical properties of epitaxial BiFeO3 thin film grown on SrRuO3-buffered SrTiO3 substrate

Zhang

Chen

et al. 2014

Nanoscale Res Lett

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“…This tendency is referred to as orbital polarization or orbital ordering. However, as previously implied, the order of orbital ordering is not sufficiently large to induce a band gap in the t 2g orbitals (Jeng et al, 2006;Lin et al, 2008;Wang et al, 2009). The same is even true for CaRuO 3 (CRO), in which the compound remains metallic regardless of a pronounced octahedral tilt.…”

Section: Electronic Properties Of Bulk Sro Oxygen Octahedra and Orthomentioning

confidence: 72%

Review on Electronic Correlations and the Metal-Insulator Transition in SrRuO₃

Pang

2017

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The classical electron band theory is a powerful tool to describe the electronic structures of solids. However, the band theory and corresponding density functional theory become inappropriate if a system comprises localized electrons in a scenario wherein strong electron correlations cannot be neglected. SrRuO 3 is one such system, and the partially localized d-band electrons exhibit some interesting behaviors such as enhanced effective mass, spectral incoherency, and oppression of ferromagnetism and itinerancy. In particular, a Metal-Insulator transition occurs when the thickness of SrRuO 3 approaches approximately four unit cells. In the computational studies, irrespective of the inclusion of on-site Hubbard repulsion and Hund's coupling parameters, correctly depicting the correlation effects is difficult. Because the oxygen atoms and the symmetry of octahedra are known to play important roles in the system, scrutinizing both the electronic band structure and the lattice system of SrRuO 3 is required to find the origin of the correlated behaviors. Transmission electron microscopy is a promising solution to this problem because of its integrated functionalities, which include atomic-resolution imaging and electron energy loss spectroscopy.

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“…Apart from this, the influences of the strong spin-orbit coupling with the Ru 4þ , distinctly different JT effects in LaMnO 3 and CaRuO 3 , and possible Mn 3þ -Ru 4þ t 2g orbital super-exchange may not be excluded. 11,14,20,24 Due to the complexity of the interactions, we can only provide a qualitative discussion on these possibilities and so far no self-consistent conclusion can be reached. In fact, we are not in a position to understand all the observed phenomena, whiles our discussion applies only to some of them.…”

Section: E Discussionmentioning

confidence: 97%

Enhanced ferromagnetism, metal-insulator transition, and large magnetoresistance in La1−xCaxMn1−xRuxO3 free of eg-orbital double-exchange

Liu

et al. 2014

Journal of Applied Physics

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Articles you may be interested inStructural, electrical, magnetic, and thermal studies of Cr-doped La 0.7 Ca 0.3 Mn 1 − x Cr x O 3 ( 0 ≤ x ≤ 1 ) manganites J. Appl. Phys. 107, 083905 (2010); 10.1063/1.3342462 Effect of Li doping on the magnetotransport properties of La 0.7 Ca 0.3−y Li y MnO 3 system: Decrease of metal-insulator transition temperature Variable-range hopping conductivity and absence of a true metal-insulator transition in La 0.7−δ Ca 0.3 Mn 1−y Fe y O 3The structure, ionic valences, magnetism, and magneto-transport behaviors of mixed valence oxides La 1Àx Ca x Mn 1Àx Ru x O 3 are systematically investigated. The simultaneous substitutions of La 3þ and Mn 3þ ions by Ca 2þ and Ru 4þ , respectively, are confirmed by the structural and ionic valence characterizations, excluding the presence of Mn 4þ and Ru 3þ ions. The enhanced ferromagnetism, induced metal-insulator transition, and remarkable magnetoresistance effect are demonstrated when the substitution level x is lower than $0.6, in spite of the absence of the Mn 3þ -Ru 4þ e g -orbital double-exchange. These anomalous magnetotransport effects are discussed based on the competing multifold interactions associated with the Mn 3þ -Ru 4þ super-exchange and strong Ru 4þ -Ru 4þ hopping, while the origins for the metal-insulator transition and magnetoresistance effect remain to be clarified. V C 2014 AIP Publishing LLC.

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Orbital orderings and optical conductivity of SrRuO₃and CaRuO₃: first-principles studies

Cited by 20 publications

References 40 publications

Optical properties of epitaxial BiFeO3 thin film grown on SrRuO3-buffered SrTiO3 substrate

Optical properties of epitaxial BiFeO3 thin film grown on SrRuO3-buffered SrTiO3 substrate

Review on Electronic Correlations and the Metal-Insulator Transition in SrRuO₃

Enhanced ferromagnetism, metal-insulator transition, and large magnetoresistance in La1−xCaxMn1−xRuxO3 free of eg-orbital double-exchange

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Orbital orderings and optical conductivity of SrRuO3and CaRuO3: first-principles studies

Cited by 20 publications

References 40 publications

Optical properties of epitaxial BiFeO3 thin film grown on SrRuO3-buffered SrTiO3 substrate

Optical properties of epitaxial BiFeO3 thin film grown on SrRuO3-buffered SrTiO3 substrate

Review on Electronic Correlations and the Metal-Insulator Transition in SrRuO3

Enhanced ferromagnetism, metal-insulator transition, and large magnetoresistance in La1−xCaxMn1−xRuxO3 free of eg-orbital double-exchange

Contact Info

Product

Resources

About

Orbital orderings and optical conductivity of SrRuO₃and CaRuO₃: first-principles studies

Review on Electronic Correlations and the Metal-Insulator Transition in SrRuO₃