A comparative study of electronic structure and magnetic properties of SrCrO3 and SrMoO3

Zheng-He, Zhu; Gu, J.H.; Jia, Yu; Hu, Xing

doi:10.1016/j.physb.2012.01.126

Cited by 24 publications

(9 citation statements)

References 18 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Experimental studies also showed a tetragonal C type antiferromagnetic (C-AFM) phase, with the Neel temperature below 100K and space group P 4/mmm, coexisted with the cubic phase in the low temperature [7,8]. This tetragonal C-AFM state is further investigated in first-principles studies [9,10]. It is correlated to a partial orbital ordering d 1 xy ,(d yz d xz ) 1 , where the d xy is nearly occupied while d yz and d xz orbitals are both half occupied [8,9].…”

mentioning

confidence: 84%

“…Experimental studies also showed a tetragonal C type antiferromagnetic (C-AFM) phase, with the Neel temperature below 100K and space group P 4/mmm, coexisted with the cubic phase in the low temperature [7,8]. This tetragonal C-AFM state is further investigated in first-principles studies [9,10] [11]. However, recently Zhou et al claimed that SCO is an insulator while the insulator-metal transition occurs under sufficient pressure [12], due to the bond instability found around 4 GPa, suggesting the strong interaction between structure and electronic structure.…”

mentioning

confidence: 84%

See 1 more Smart Citation

Coupled Nonpolar-Polar Metal-Insulator Transition in1∶1SrCrO3/SrTiO3<

Zhou

Rabe

2015

Phys. Rev. Lett.

View full text Add to dashboard Cite

Using first principles calculations, we determined the epitaxial-strain dependence of the ground state of the 1:1 SrCrO3/SrTiO3 superlattice. The superlattice layering leads to significant changes in the electronic states near the Fermi level, derived from Cr t2g orbitals. An insulating phase is found when the tensile strain is greater than 2.2% relative to unstrained cubic SrTiO3. The insulating character is shown to arise from Cr t2g orbital ordering, which is produced by an in-plane polar distortion that couples to the superlattice d-bands and is stabilized by epitaxial strain. This effect can be used to engineer the band structure near the Fermi level in transition metal oxide superlattices.

show abstract

mentioning

confidence: 84%

“…Experimental studies also showed a tetragonal C type antiferromagnetic (C-AFM) phase, with the Neel temperature below 100K and space group P 4/mmm, coexisted with the cubic phase in the low temperature [7,8]. This tetragonal C-AFM state is further investigated in first-principles studies [9,10] [11]. However, recently Zhou et al claimed that SCO is an insulator while the insulator-metal transition occurs under sufficient pressure [12], due to the bond instability found around 4 GPa, suggesting the strong interaction between structure and electronic structure.…”

mentioning

confidence: 84%

Coupled Nonpolar-Polar Metal-Insulator Transition in1∶1SrCrO3/SrTiO3<

Zhou

Rabe

2015

Phys. Rev. Lett.

View full text Add to dashboard Cite

show abstract

“…The switching to the more conducting state after the first sweep to +4 V could be ascribed to the electron-trapping-mediated electronic switching mechanism, which was reported elsewhere. 34 Moreover, the SrRuO 3 BE is less efficient for oxygen supply during the switching process compared to air-exposed Au TE. Consequently, the electroforming process in the positive bias required larger voltages (∼8 V), which is an abrupt process, as shown in Figure S1 of SI.…”

Section: Resultsmentioning

confidence: 99%

Complementary Resistive Switching and Synaptic-Like Memory Behavior in an Epitaxial SrFeO_2.5 Thin Film through Oriented Oxygen-Vacancy Channels

Nallagatla

Kim

Lee

et al. 2020

ACS Appl. Mater. Interfaces

View full text Add to dashboard Cite

Oxygen-vacancy-ordered brownmillerite oxides offer a reversible topotactic phase transition by significantly varying the oxygen stoichiometry of the material without losing its lattice framework. This phase transition leads to substantial changes in the physical and chemical properties of brownmillerite oxides, including electrical and ion conductivity, magnetic state, and oxygen diffusivity. In this study, the variations in the resistive switching mode of the epitaxial brownmillerite SrFeO 2.5 thin film in the device were studied by systematically controlling the oxygen concentration, which could be varied by changing the compliance current during the first electroforming step. Depending on the compliance current, the SrFeO 2.5 devices exhibited either low-power bipolar resistive switching or complementary resistive switching behaviors. A physical model based on the internal redistribution of oxygen ions between the interfaces with the top and the bottom electrodes was developed to explain the complementary resistive switching behavior. This model was experimentally validated using impedance spectroscopy. Finally, the gradual conductance variation in the brownmillerite SrFeO 2.5 thin films was exploited to realize synaptic learning.

show abstract

“…These observations, as well as specific heat measurements yielding a quasiparticle mass renormalization m * /m b 2 [19,20], hint at a moderate degree of electronic correlations. However, previous DFT+U studies show discrepancies with experimental structural and magnetic properties [21][22][23][24], hinting at the role of correlations in the structural properties. Here we will compare the lattice energetics of SMO between DFT, DFT+U , and DFT+DMFT using a symmetry-based mode decomposition [25,26].…”

mentioning

confidence: 85%

Correlation-Induced Octahedral Rotations in SrMoO$_3$

Hampel,

Lee-Hand,

Georges

et al. 2020

Preprint

View full text Add to dashboard Cite

Distortions of the oxygen octahedra influence the fundamental electronic structure of perovskite oxides, such as their bandwidth and exchange interactions. Utilizing a fully ab-initio methodology based on density functional theory plus dynamical mean field theory (DFT+DMFT), we accurately predict the crystal and magnetic structure of SrMoO3. Comparing our results with DFT+U performed on the same footing, we find that DFT+U overestimates octahedral rotations leading to a different ground state structure. This demonstrates that structural distortions can be highly sensitive to electronic correlation effects, even in a moderately correlated metal such as SrMoO3. Moreover, by comparing different downfolding schemes, we demonstrate the robustness of the DFT+DMFT method for obtaining structural properties, highlighting its versatility for applications to a broad range of materials.

show abstract

A comparative study of electronic structure and magnetic properties of SrCrO3 and SrMoO3

Cited by 24 publications

References 18 publications

Coupled Nonpolar-Polar Metal-Insulator Transition in1∶1SrCrO3/SrTiO3<

Coupled Nonpolar-Polar Metal-Insulator Transition in1∶1SrCrO3/SrTiO3<

Complementary Resistive Switching and Synaptic-Like Memory Behavior in an Epitaxial SrFeO_2.5 Thin Film through Oriented Oxygen-Vacancy Channels

Correlation-Induced Octahedral Rotations in SrMoO$_3$

Contact Info

Product

Resources

About

A comparative study of electronic structure and magnetic properties of SrCrO3 and SrMoO3

Cited by 24 publications

References 18 publications

Coupled Nonpolar-Polar Metal-Insulator Transition in1∶1SrCrO3/SrTiO3<

Coupled Nonpolar-Polar Metal-Insulator Transition in1∶1SrCrO3/SrTiO3<

Complementary Resistive Switching and Synaptic-Like Memory Behavior in an Epitaxial SrFeO2.5 Thin Film through Oriented Oxygen-Vacancy Channels

Correlation-Induced Octahedral Rotations in SrMoO$_3$

Contact Info

Product

Resources

About

Complementary Resistive Switching and Synaptic-Like Memory Behavior in an Epitaxial SrFeO_2.5 Thin Film through Oriented Oxygen-Vacancy Channels