Designing a robustly metallic noncenstrosymmetric ruthenate oxide with large thermopower anisotropy

Puggioni, Danilo; Rondinelli, James M.

doi:10.1038/ncomms4432

Cited by 162 publications

(198 citation statements)

References 65 publications

(80 reference statements)

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“…polar structure and metallicity, could broaden the new research area of electronic devices. In fact, the polar metals have been observed in LiOsO 3 [46,47] and thin-film RNiO 3 [48], and also predicted in ruthenate oxide [49]. In our previous studied (YFeO 3 ) 2 /(YTiO 3 ) 2 , the metallicity is not robust, or even artificial.…”

Section: + Superlatticementioning

confidence: 99%

(LaTiO3)n/(LaVO3)n as a model system for unconventional charge transfer and polar metallicity

et al. 2017

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At interfaces between oxide materials, lattice and electronic reconstructions always play important roles in exotic phenomena. In this study, the density functional theory and maximally localized Wannier functions are employed to investigate the (LaTiO3)n/(LaVO3)n magnetic superlattices. The electron transfer from Ti 3+ to V 3+ is predicted, which violates the intuitive band alignment based on the electronic structures of LaTiO3 and LaVO3. Such unconventional charge transfer quenches the magnetism of LaTiO3 layer mostly and leads to metal-insulator transition in the n = 1 superlattice when the stacking orientation is altered. In addition, the compatibility among the polar structure, ferrimagnetism, and metallicity is predicted in the n = 2 superlattice.

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Section: + Superlatticementioning

confidence: 99%

(LaTiO3)n/(LaVO3)n as a model system for unconventional charge transfer and polar metallicity

et al. 2017

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“…The theories of soft mode 11 , order-disorder 13 and the hybridization between E g orbits of Os and p orbits of oxygen 14 , were proposed to understand the ferroelectric-like transition in LiOsO 3 . Additionally, the weak coupling between electrons and softening phonons was also considered to be the possible driving force 15 . So far, most of studies come from the theoretical side and experimental studies are highly required.…”

Section: Introductionmentioning

confidence: 99%

Raman phonons in the ferroelectric-like metalLiOsO3

Jin

Zhang

et al. 2016

Phys. Rev. B

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The novel ferroelectric-like structural transition observed in metallic LiOsO3 [Y. Shi et al., Nat. Mater. 12, 1024(2013], has invoked many theoretical and experimental interests. In this work, we have performed polarized and temperature-dependent Raman scattering measurements on highquality single crystal LiOsO3 and identified Raman-active modes in both centrosymmetric phase (300 K, R3c) and non-centrosymmetric phase (10 K, R3c). Only four phonon peaks are observed in the former phase, while there are twelve peaks in the latter phase because of the reduction of crystal symmetry. With the help of careful symmetry analysis and first-principles calculations, we can make a systematic assignment for the observed Raman modes in both phases. The significant changes in line-width and the continuous evolution of Raman frequencies with temperatures were observed for the Eg modes around the transition temperature, which suggests that the ferroelectriclike structural transition is a continuous order-disorder transition. The result sheds light on the coexistence of ferroelectricity and metallicity in the compound.

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“…Although the coexistence of metallic conduction and ferroelectric order in LiOsO 3 can be understood in terms of the longstanding proposal by Anderson and Blount [1], which relies on weak coupling between the electrons at the Fermi level and the soft phonon responsible for removing inversion symmetry [6], the fingerprints of strong correlations and their connection with the ferroelectric transition deserve further investigation and understanding. Indeed strong correlations are relevant also in previously known non-centrosymmetric metals.…”

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confidence: 99%

Electronic correlations in the ferroelectric metallic state ofLiOsO3

et al. 2016

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LiOsO3 has been recently identified as the first unambiguous "ferroelectric metal", experimentally realizing a prediction from 1965 by Anderson and Blount. In this work, we investigate the metallic state in LiOsO3 by means of infrared spectroscopy supplemented by Density Functional Theory and Dynamical Mean Field Theory calculations. Our measurements and theoretical calculations clearly show that LiOsO3 is a very bad metal with a small quasiparticle weight, close to a Mott-Hubbard localization transition. The agreement between experiments and theory allows us to ascribe all the relevant features in the optical conductivity to strong electron-electron correlations within the t2g manifold of the osmium atoms. Introduction -Ferroelectric materials display a spontaneous polarization due to an inversion symmetry breaking induced by the macroscopic ordering of local dipole moments. Multiferroic materials are defined by coexistent and coupled magnetic and ferroelectric order. It is a natural expectation that ferroelectric (and consequently multiferroic) ordering can only happen in insulators in order to avoid the metallic charge carriers to screen out the ferroelectric polarization. The existence of "ferroelectric metals" challenging this expectation has been hypothesized in 1965 by Anderson and Blount [1], who have shown that ferroelectricity can occur in a metal as long as the electrons at the Fermi level are decoupled from the ferroelectric distortions. Under these circumstances, the ferroelectric ordering can take place through a second-order transition. In 2013 the first unambiguous realization of this proposal has been reported in LiOsO 3 , where a second-order transition leads to a ferroelectric ionic structure below 140 K while the material remains conducting [2]. This behavior is accompanied by a large residual resistivity which exceeds by two orders of magnitude that of prototypical metals as gold, and by a CurieWeiss like behavior of the magnetic susceptibility in the ordered phase which suggests the presence of almost localized magnetic moments, characteristic precursors of Mott localization [2].

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Designing a robustly metallic noncenstrosymmetric ruthenate oxide with large thermopower anisotropy

Cited by 162 publications

References 65 publications

(LaTiO3)n/(LaVO3)n as a model system for unconventional charge transfer and polar metallicity

(LaTiO3)n/(LaVO3)n as a model system for unconventional charge transfer and polar metallicity

Raman phonons in the ferroelectric-like metalLiOsO3

Electronic correlations in the ferroelectric metallic state ofLiOsO3

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