Microstrain Sensitivity of Orbital and Electronic Phase Separation in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>SrCrO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>

Ortega-San-Martín, Luis; Williams, A. J.; Rodgers, Jennifer; Attfield, J. Paul; Heymann, Günter; Huppertz, Hubert

doi:10.1103/physrevlett.99.255701

Cited by 97 publications

(107 citation statements)

References 16 publications

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“…123). [8] This AFM order is conventionally called C-type AFM. Although this tetragonal phase is dominant below T N , a NM cubic phase also coexists, consistent with results of our calculations (see below).…”

Section: Structure and Calculationmentioning

confidence: 99%

“…[9] Attfield and coworkers have concentrated on SrCrO 3 , using neutron diffraction and synchrotron powder x-ray diffraction studies. [7,8] Below T N ≈40 K, most of their sample underwent a structure transition from a NM cubic phase to a AFM tetragonal phase, but the two phases coexist even at low T . In the tetragonal phase with only slightly inequivalent lattice parameters, at T N there are no visible changes in volume or in averaged Cr-O distance, and additionally no kink in resistivity.…”

Section: Introductionmentioning

confidence: 99%

“…[6,7,8,9] Whether these systems are metallic, strongly correlated, and spin ordered is still controversial. [6,7,8,9,10] Roth and DeVries reported an ordered moment of 1.9 µ B and Curie-Weiss moment of 2.83 µ B in the isovalent compound PbCrO 3 , consistent with S = 1 Cr 4+ (d 2 ). [1] Chamberland and Moeller synthesized a single crystal, which was semiconducting with 0.27 eV activation energy.…”

Section: Introductionmentioning

confidence: 99%

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Orbital-ordering driven structural distortion in metallicSrCrO3

Lee

Pickett

2009

Phys. Rev. B

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In contrast to the previous reports that the divalent perovskite SrCrO3 was believed to be cubic structure and nonmagnetic metal, recent measurements suggest coexistence of majority tetragonally distorted weak antiferromagnetic phase and minority nonmagnetic cubic phase. Within the local (spin) density approximation (L(S)DA) our calculations confirm that a slightly tetragonally distorted phase indeed is energetically favored. Using the correlated band theory method (LDA+ Hubbard U ) as seems to be justified by the unusual behavior observed in SrCrO3, above the critical value Uc=4 eV only the distorted phase undergoes an orbital-ordering transition, resulting in t 2 2g → d 1 xy (dxzdyz) 1 corresponding to the filling of the dxy orbital but leaving the other two degenerate. The Fermi surfaces of the cubic phase are simple with nesting features, although the nesting wavevectors do not correlate with known data. This is not uncommon in perovskites; the strongly directional d − d bonding often leads to box-like Fermi surfaces, and either the nesting is not strong enough, or the matrix elements are not large enough, to promote instabilities. Fixed spin moment calculations indicate the cubic structure is just beyond a ferromagnetic Stoner instability (IN (0) ≈1.1) in L(S)DA, and that the energy is unusually weakly dependent on the moment out to 1.5µB /Cr (varying only by 11 meV/Cr), reflecting low energy long-wavelength magnetic fluctuations. We observe that this system shows strong magneto-phonon coupling (change in Cr local moment is ∼7.3 µB/Å) for breathing phonon modes.

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Section: Structure and Calculationmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Orbital-ordering driven structural distortion in metallicSrCrO3

Lee

Pickett

2009

Phys. Rev. B

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“…For over 40 yrs. SrCrO 3 was thought to be a paramagnetic metallic oxide with a cubic perovskite structure, but recent neutron and x-ray diffraction experiments identified weak strain induced magnetism 9,10 which was recently shown to be stabilized by orbital ordering 11 . Further resistivity measurements suggest a pressure induced insulator-metal transition in SrCrO 3 10 .…”

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confidence: 99%

Orbital ordering, ferroelasticity, and the large pressure-induced volume collapse in PbCrO3

Ganesh

Cohen

2011

Phys. Rev. B

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We report a new tetragonal ground-state for perovskite-structured PbCrO 3 from DFT+U calculations, and explain its anomalously large volume. The new structure is stabilized due to orbital ordering of Cr-d in the presence of a large tetragonal crystal field, mainly due to off-centering of the Pb atom. At higher pressures (smaller volumes) there is a first-order transition to a cubic phase where the Cr-d orbitals are orbitally liquid. This phase-transition is accompanied by a ~11.5% volume collapse, one of the largest known for transition-metal oxides. The large ferroelasticity and its strong coupling to the orbital degrees of freedom could be exploited to form potentially useful magnetostrictive materials.Transition metal oxides show complex and interesting behavior due to the electrons in the d orbitals. Depending on the crystal structure and their magnetic state, they could be metallic or insulating or undergo a transition from one to the other 1 . The d-electrons are known to show itinerant as well as a strongly localized behavior. Correlated band-theory methods with the Hubbard U parameter 2, 3 to capture strong correlations in the Cr d-orbitals in CrO 2 4, 5 , where Cr has a large nominal valence of 4+ with 2 electrons in the d-manifold, show that it is a half-metallic ferromagnet, with the metallicity coming from a negative charge transfer i.e. holes in the oxygen band. Chromites in the perovskite structure such as PbCrO 3 , CaCrO 3 and SrCrO 3 have been little studied because high-pressures and temperatures are required to synthesize 6 them. CaCrO 3 , an antiferromagnet, was long considered to be an insulator, but recent infrared reflectivity and transport measurements 7,8 show that it is a metal. For over 40 yrs. SrCrO 3 was thought to be a paramagnetic metallic oxide with a cubic perovskite structure, but recent neutron and x-ray diffraction experiments identified weak strain induced magnetism 9, 10 which was recently shown to be stabilized by orbital ordering 11 . Further resistivity measurements suggest a pressure induced insulator-metal transition in SrCrO 3 10 . At room temperature PbCrO 3 is reported to

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“…the interlayer interaction between Cr ions is not a crucial factor for determining T N . It should be noted that the AF transition occurs around 40 K in SrCrO 3 (n = ∞) accompanying with a structural transition from a high-T cubic phase to a low-T tetragonal phase [5]. Figure 3 shows that zero field (ZF-) µ + SR spectra for each sample recorded at 2 K, demonstrating Since the ZF-spectra for the n = 2 and n = 3 samples are clearly modulated, the spectra include multiple oscillatory signals.…”

Section: Methodsmentioning

confidence: 99%

μ⁺SR Study on Layered Chromium Perovskites: Sr_n₊₁Cr_nO₃_n₊₁ (n = 1–3)

Nozaki

Sakuraï

Umegaki

et al. 2018

Proceedings of the 14th International Conference on Muon Spin Rotation, Relaxation and Resonance (ΜSR2017)

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The magnetic nature of layered chromium perovskites, Sr n+1 Cr n O 3n+1 (n = 1 − 3) was studied by µ + SR using powder samples prepared by a high pressure synthesis technique. According to the weak transverse field measurements, each sample entered a magnetically ordered state below 110 K, 200 K and 90 K for the n = 1, 2 and 3 samples, respectively. Zero field (ZF) spectra below the transition temperature exhibited a clear oscillation due to the formation of quasi-static magnetic order. The Fourier transform frequency-spectrum for the ZF time-spectrum indicated the existence of the multiple oscillation components. The frequencies for the multiple oscillatory signals showed a complex temperature dependence, implying the occurrence of structural change/transitions below T N .

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Microstrain Sensitivity of Orbital and Electronic Phase Separation inSrCrO3

Cited by 97 publications

References 16 publications

Orbital-ordering driven structural distortion in metallicSrCrO3

Orbital-ordering driven structural distortion in metallicSrCrO3

Orbital ordering, ferroelasticity, and the large pressure-induced volume collapse in PbCrO3

μ⁺SR Study on Layered Chromium Perovskites: Sr_n₊₁Cr_nO₃_n₊₁ (n = 1–3)

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Microstrain Sensitivity of Orbital and Electronic Phase Separation inSrCrO3

Cited by 97 publications

References 16 publications

Orbital-ordering driven structural distortion in metallicSrCrO3

Orbital-ordering driven structural distortion in metallicSrCrO3

Orbital ordering, ferroelasticity, and the large pressure-induced volume collapse in PbCrO3

μ+SR Study on Layered Chromium Perovskites: Srn+1CrnO3n+1 (n = 1–3)

Contact Info

Product

Resources

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μ⁺SR Study on Layered Chromium Perovskites: Sr_n₊₁Cr_nO₃_n₊₁ (n = 1–3)