Jahn-Teller distortion and magnetic transitions in perovskite<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>R</mml:mi><mml:mi mathvariant="normal">Mn</mml:mi><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>(<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>R</mml:mi><mml:mo>=</mml:mo><mml:mi mathvariant="normal">Ho</mml:mi></mml:mrow></mml:math>, Er, Tm, Yb, and Lu)

Tachibana, Makoto; Shimoyama, Tomotaka; Kawaji, Hitoshi; Ataké, Tooru; Takayama‐Muromachi, E.

doi:10.1103/physrevb.75.144425

Cited by 138 publications

(158 citation statements)

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“…The onset temperatures of ferroelectric polarization were found to be 26, 35, 37, and 38 K for R = Ho, Tm, Yb, and Lu, respectively, and they are consistent with the reported lock-in transition temperature, T L , in each compound. 17,21,22 It is noteworthy that all the hysteresis loops appearing in Figs. 3 and 4 show saturating behavior at high electric fields except in very low temperature regions below ∼10-15 K. Related to this observation, the coercive electric fields at temperatures above 15 K seem clearly lower than the maximum applied electric field in all the compounds.…”

Section: Resultsmentioning

confidence: 99%

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Intrinsic ferroelectric polarization of orthorhombic manganites withE-type spin order

Chai

Oh²,

Wang³

et al. 2012

Phys. Rev. B

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By directly measuring electrical hysteresis loops using the Positive-Up Negative-Down (PUND) method, we determined accurately the remanent ferroelectric polarization P r of orthorhombic RMnO 3 (R = Ho, Tm, Yb, and Lu) compounds below their E-type spin ordering temperatures. We found that LuMnO 3 has the largest P r of 0.17 μC/cm 2 at 6 K in the series, the value of which allows us to predict that its single-crystal form can produce a P r of at least 0.6 μC/cm 2 at 0 K. Furthermore, at a fixed temperature, P r decreases systematically with increasing rare earth ion radius from R = Lu to Ho, exhibiting a strong correlation with the variation of the in-plane Mn-O-Mn bond angle and Mn-O distances. Our experimental results suggest that the contribution of the Mn t 2g orbitals may dominate the ferroelectric polarization.

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Section: Resultsmentioning

confidence: 99%

“…We have synthesized o-RMnO 3 (R = Er, Tm, Yb, and Lu) specimens under a high pressure of 5 GPa at 1423 K 22 and confirmed that all of them had the orthorhombic (Pbnm) structure at 300 K without any impurities. Crystal structures were extracted by Rietveld refinement using the GSAS program.…”

Section: A Sample Preparationmentioning

confidence: 99%

Intrinsic ferroelectric polarization of orthorhombic manganites withE-type spin order

Chai

Oh²,

Wang³

et al. 2012

Phys. Rev. B

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“…Other rare-earth P bnm AFM-I manganites are of particular interest, as they are characterized by very large orthorhombicity: AFM-I d 4 RMnO 3 (R = Dy, Ho, Y, Er, Tm, Yb, Lu) have b a − 1 ≈ 11%, 70,71 and R = Pr, Nd, and Tb have 7%, 8%, and 10%. 71 In conclusion, we have used first-principles calculations for LaMnO 3 to investigate the energetics of oxygen-octahedron rotations, Jahn-Teller distortion, magnetic ordering, and the couplings among them, as a function of epitaxial strain.…”

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confidence: 99%

Strong coupling of Jahn-Teller distortion to oxygen-octahedron rotation and functional properties in epitaxially strained orthorhombic LaMnO3

et al. 2013

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First-principles calculations reveal a large cooperative coupling of Jahn-Teller (JT) distortion to oxygenoctahedron rotations in perovskite LaMnO 3 . The combination of the two distortions is responsible for stabilizing the strongly orthorhombic A-AFM insulating (I ) eP bnm ground state relative to a metallic ferromagnetic (FM-M) phase. However, epitaxial strain due to coherent matching to a crystalline substrate can change the relative stability of the two states. In particular, coherent matching to a square-lattice substrate favors the less orthorhombic FM-M phase, with the A-AFM phase stabilized at higher values of tensile epitaxial strain due to its larger volume per formula unit, resulting in a coupled magnetic and metal-insulator transition at a critical strain close to 1%. At the phase boundary, a very large magnetoresistance is expected. Tensile epitaxial strain enhances the JT distortion and opens the band gap in the A-AFM-I c-eP bnm phase, offering the opportunity for band-gap engineering. Compressive epitaxial strain induces a transition within the FM-M phase from the c-eP bnm orientation to the ab-eP bnm orientation with a change in the direction of the magnetic easy axis relative to the substrate, yielding strain-controlled magnetization at the phase boundary. Similar behavior is expected in other JT active P bnm perovskites. (La,M)MnO 3 (M = Ca, Pr, Sr, Ba) has been of great interest due to the couplings among structure, magnetic and orbital orderings, and the resulting functional properties, such as colossal magneto-resistance (CMR). 1-4 As a result, there have been many experimental 5-8 and theoretical 9-25 studies of the end-member compound LaMnO 3 (LaMnO 3 ). The observed sequence of phases with decreasing temperature is as follows: 8,26 At very high temperature (above 1010 K), LaMnO 3 has a rhombohedral R3c structure, produced by rotation of the oxygen octahedron network of the ideal perovskite structure. From 1010 K down to 750 K, it has an orthorhombic P bnm structure produced by a different pattern of octahedral rotations. At 750 K, an orbital-order transition occurs by a cooperative Jahn-Teller transition; 27 however, this distortion does not break the symmetry of the P bnm structure. Finally, a magnetic transition to an A-type antiferromagnetic (A-AFM) ordering (ferromagnetic alignment in the xy planes, with spin direction alternating from plane to plane) occurs at 135 K.It proves to be challenging to reproduce the observed A-AFM ground state of LaMnO 3 , with its half filled e g level, from first principles. If the structural parameters are fixed to the experimental values, the correct magnetic ordering is obtained with a range of density-functional-theory (DFT) methods. However, full optimization of the structure within DFT generally gives a competing FM-M phase as the ground state, 11,17 and the correct ground state is obtained only in calculations with both a generalized gradient form of the density functional and inclusion of a Hubbard U . 16 More generally, various couplings in com...

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“…Accordingly, in the -T curve for the x =0 sample a clear cusp was seen about 40 K, in agreement with previous reports. 12,23,24 The AFM ordering was also confirmed from the real part of the ac susceptibility data ͑not presented here͒.…”

Section: Discussionmentioning

confidence: 72%

“…Moreover, the cooperative Jahn-Teller ͑JT͒ effect and orbital ordering seen for RMnO 3 perovskites [21][22][23][24] are weakened due to the decrease in the concentration of the JT-active e g electrons.…”

Section: Resultsmentioning

confidence: 99%

Magnetic and magnetotransport properties of the orthorhombic perovskites(Lu,Ca)MnO3

et al. 2008

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Here we extend the research of the ͑R ,Ca͒MnO 3 perovskites to the smallest-R end member ͑Lu, Ca͒MnO 3 . Magnetic and magnetotransport properties of the ͑Lu 1−x Ca x ͒MnO 3 system are systematically investigated in regard to carrier doping. It is found that hole doping into the antiferromagnetic x = 0.0 phase, LuMnO 3 , causes a spin-glass-like magnetic competition in the wide doping range of 0.1Յ x Յ 0.6, whereas electron doping into the antiferromagnetic x = 1.0 phase, CaMnO 3 , induces a large magnetoresistance effect for 0.8Յ x Յ 0.95.

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Jahn-Teller distortion and magnetic transitions in perovskiteRMnO3(R=Ho, Er, Tm, Yb, and Lu)

Cited by 138 publications

References 24 publications

Intrinsic ferroelectric polarization of orthorhombic manganites withE-type spin order

Intrinsic ferroelectric polarization of orthorhombic manganites withE-type spin order

Strong coupling of Jahn-Teller distortion to oxygen-octahedron rotation and functional properties in epitaxially strained orthorhombic LaMnO3

Magnetic and magnetotransport properties of the orthorhombic perovskites(Lu,Ca)MnO3

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