<i>In-situ</i>
                    high pressure X-ray diffraction studies of orthoferrite SmFeO
                    <sub>3</sub>

Li, Nana; Li, Yan; Li, Hui; Tang, R.-S.; Zhao, Yongsheng; Han, Dandan; Ma, Yiming; Cui, Qiliang; Zhu, Pinwen; Wang, Xin

doi:10.1088/1674-1056/23/6/069101

Cited by 10 publications

(5 citation statements)

References 34 publications

(40 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…According to this picture, in the case of zone-boundary distortions (e.g., octahedral tiltings) the short-range interactions would increase with pressure much more rapidly than the long-range couplings, which should result in an increase of octahedral tiltings under pressure. This rule is in agreement with the pressure behaviors in orthorhombic CaSnO3 [14] and CaTiO3 [15], and tetragonal SrTiO3 [16], However, this ''general rule'' is violated by experimental results of other materials: For example, rhombohedral LaAlO3 [17], as well as orthorhombic YAlO3, GdFeO3, GdAlO3 [18,19] and SmFeO3 [20], all become less distorted under pressure. Note that the behavior in LaAlO3 was confirmed in a first-principles study [21].…”

Section: Introductionsupporting

confidence: 69%

See 1 more Smart Citation

Rules and mechanisms governing octahedral tilts in perovskites under pressure

et al. 2017

View full text Add to dashboard Cite

The rotation of octahedra (octahedral tilting) is common in ABO 3 perovskites and relevant to many physical phenomena, ranging from electronic and magnetic properties, metal-insulator transitions to improper ferroelectricity. Hydrostatic pressure is an efficient way to tune and control octahedral tiltings. However, the pressure behavior of such tiltings can dramatically differ from one material to another, with the origins of such differences remaining controversial. In this work, we discover several new mechanisms and formulate a set of simple rules that allow to understand how pressure affects oxygen octahedral tiltings, via the use and analysis of first-principles results for a variety of compounds. Besides the known A-O interactions, we reveal that the interactions between specific B-ions and oxygen ions contribute to the tilting instability. We explain the previously reported trend that the derivative of the oxygen octahedral tilting with respect to pressure ( ) usually / dR dP decreases with both the tolerance factor and the ionization state of the A-ion, by illustrating the key role of A-O interactions and their change under pressure.Furthermore, three new mechanisms/rules are discovered, namely that (i) the octahedral rotations in ABO 3 perovskites with empty low-lying d states on the B-site are greatly enhanced by pressure, in order to lower the electronic kinetic energy; (ii) is enhanced when the system possesses weak tilt instabilities, and (iii) for the most common phase exhibited by perovskites -the orthorhombic Pbnm state -the in-phase and antiphase octahedral rotations are not automatically both suppressed or both enhanced by the application of pressure, because of a trilinear coupling between these two rotation types and an antipolar mode involving the A-ions. We further predict that the polarization associated with the so-called hybrid improper ferroelectricity could be manipulated by hydrostatic pressure, by indirectly controlling the amplitude of octahedral rotations.

show abstract

Section: Introductionsupporting

confidence: 69%

“…LaAlO3 [17], as well as orthorhombic YAlO3, GdFeO3, GdAlO3 [18,19] and SmFeO3 [20], all become less distorted under pressure. Note that the behavior in LaAlO3 was confirmed in a first-principles study [21].…”

Section: Introductionmentioning

confidence: 99%

Rules and mechanisms governing octahedral tilts in perovskites under pressure

et al. 2017

View full text Add to dashboard Cite

show abstract

“…Although varieties of perovskite-type oxides have been extensively studied under HP, ,,,,− to the best of our knowledge nothing is known on the effect of pressure on rare-earth scandates. These scandates have an orthorhombic structure, where no pressure-induced electronic contribution, like overlapping of orbitals, is expected to affect their HP behavior.…”

Section: Introductionmentioning

confidence: 99%

Pressure Impact on the Stability and Distortion of the Crystal Structure of CeScO₃

et al. 2017

View full text Add to dashboard Cite

The effects of high pressure on the crystal structure of orthorhombic (Pnma) perovskite-type cerium scandate were studied in situ under high pressure by means of synchrotron X-ray powder diffraction, using a diamond-anvil cell. We found that the perovskite-type crystal structure remains stable up to 40 GPa, the highest pressure reached in the experiments. The evolution of unit-cell parameters with pressure indicated an anisotropic compression. The room-temperature pressure-volume equation of state (EOS) obtained from the experiments indicated the EOS parameters V = 262.5(3) Å, B = 165(7) GPa, and B' = 6.3(5). From the evolution of microscopic structural parameters like bond distances and coordination polyhedra of cerium and scandium, the macroscopic behavior of CeScO under compression was explained and reasoned for its large pressure stability. The reported results are discussed in comparison with high-pressure results from other perovskites.

show abstract

“…[24] High-pressure x-ray diffraction experiments provide us information about high-pressure phase transitions and physical properties. [25][26][27] In this study, we carry out the highpressure experiment of B-type Y 2 O 3 as the starting material up to 44 GPa by in situ x-ray diffraction (XRD) in diamond anvil cell (DAC).…”

Section: Introductionmentioning

confidence: 99%

Pressure-induced phase transition of B-type Y ₂ O ₃

Zhang¹,

Wu²,

Qin³

2017

Chinese Phys. B

View full text Add to dashboard Cite

The synthesized monoclinic (B-type) phase of Y 2 O 3 has been investigated by in situ angle-dispersive x-ray diffraction in a diamond anvil cell up to 44 GPa at room temperature. A phase transition occurs from monoclinic (B-type) to hexagonal (A-type) phase at 23.5 GPa and these two phases coexist even at the highest pressure. Parameters of isothermal equation of state are V 0 = 69.0(1) Å3 , K 0 = 159(3) GPa, K 0 = 4 (fixed) for the B-type phase and V 0 = 67.8(2) Å3 , K 0 = 156(3) GPa, K 0 = 4 (fixed) for the A-type phase. The structural anisotropy increases with increasing pressure for both phases.

show abstract

In-situ high pressure X-ray diffraction studies of orthoferrite SmFeO ₃

Cited by 10 publications

References 34 publications

Rules and mechanisms governing octahedral tilts in perovskites under pressure

Rules and mechanisms governing octahedral tilts in perovskites under pressure

Pressure Impact on the Stability and Distortion of the Crystal Structure of CeScO₃

Pressure-induced phase transition of B-type Y ₂ O ₃

Contact Info

Product

Resources

About

In-situ high pressure X-ray diffraction studies of orthoferrite SmFeO 3

Cited by 10 publications

References 34 publications

Rules and mechanisms governing octahedral tilts in perovskites under pressure

Rules and mechanisms governing octahedral tilts in perovskites under pressure

Pressure Impact on the Stability and Distortion of the Crystal Structure of CeScO3

Pressure-induced phase transition of B-type Y 2 O 3

Contact Info

Product

Resources

About

In-situ high pressure X-ray diffraction studies of orthoferrite SmFeO ₃

Pressure Impact on the Stability and Distortion of the Crystal Structure of CeScO₃

Pressure-induced phase transition of B-type Y ₂ O ₃