Quasiparticle self-consistent GW calculation of 
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Sr</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>RuO</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math>
 and 
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>SrRuO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>

Ryee, Siheon; Jang, Seung Woo; Kino, Hiori; Kotani, Takao; Han, Myung Joon

doi:10.1103/physrevb.93.075125

Cited by 22 publications

(22 citation statements)

References 107 publications

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“…The calculated electronic structure for the orthorhombic Pbnm phase of SrRuO 3 for the ferromagnetic ground state shows a half-metallic behavior ( Fig. 5a) which agrees with previous electronic structure calculations 59 . The bands near the Fermi level are formed by the t 2g Ru states hybridized with the O 2p orbitals ( Supplementary Fig.…”

Section: Mr (supporting

confidence: 90%

Quantum transport evidence of Weyl fermions in an epitaxial ferromagnetic oxide

et al. 2020

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Magnetic Weyl semimetals have novel transport phenomena related to pairs of Weyl nodes in the band structure. Although the existence of Weyl fermions is expected in various oxides, the evidence of Weyl fermions in oxide materials remains elusive. Here we show direct quantum transport evidence of Weyl fermions in an epitaxial 4d ferromagnetic oxide SrRuO3. We employ machine-learning-assisted molecular beam epitaxy to synthesize SrRuO3 films whose quality is sufficiently high to probe their intrinsic transport properties. Experimental observation of the five transport signatures of Weyl fermions—the linear positive magnetoresistance, chiral-anomaly-induced negative magnetoresistance, π phase shift in a quantum oscillation, light cyclotron mass, and high quantum mobility of about 10,000 cm2V−1s−1—combined with first-principles electronic structure calculations establishes SrRuO3 as a magnetic Weyl semimetal. We also clarify the disorder dependence of the transport of the Weyl fermions, which gives a clear guideline for accessing the topologically nontrivial transport phenomena.

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Section: Mr (supporting

confidence: 90%

Quantum transport evidence of Weyl fermions in an epitaxial ferromagnetic oxide

et al. 2020

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“…bands. These half-metal characters are the same as those in previous experimental observations [17][18][19] as well as ab initio calculations including LDA + U [20], DMFT method [21], and GW method [45].…”

Section: Bulk Properties Of Srosupporting

confidence: 80%

Strain Induced Metal–Insulator Transition of Magnetic SrRuO3 Single Layer in SrRuO3/SrTiO3 Superlattice

2018

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Ferromagnetic phase in a two-dimensional system plays an important role not only in applications but also in studies of phase transition theory. Among numerous ferromagnetic materials, Sr Ru O 3 is famous for its half-metallicity, itinerant ferromagnetism and non-Fermi liquid metalicity. Single layer Sr Ru O 3 in Sr Ru O 3 / Sr Ti O 3 (SRO/STO) superlattice has been predicted as a two-dimensional half-metallic ferromagnetic system based on density functional theory (DFT). However, experiments show that metal–insulator transition associated with ferro–antiferromagnetism (FM–AFM) transition occurs when the thickness of SRO is less than 4 u.c. Combining DFT calculations with Monte Carlo simulations, we demonstrate in this work that the bulk ferromagnetic metallicity can be realized in single layer SRO in SRO/STO superlattice by manipulating the strain effect to trigger the metal–insulator transition, achieving two-dimensional (2D) half-metallic SRO thin film beyond the experimental observation of AFM insulator.Our results pave a new route to fulfill the ultrathin spin-polarized-2D electron gas (SP-2DEG).

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“…In the sense that the FM-M to AF-I transition occurs in between 2-and 1-uc thickness, our GGA result is not in quite good agreement with experiments which report the transitions in between 5-and 4-uc 15 , or 4-and 3-uc 17,18 , or 3-to 2-uc 16 . Further inclusion of electron correlations might be needed to correctly describe the ∆ and other electronic properties 19,[38][39][40][41][42][43] .…”

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confidence: 99%

Magnetic ground state of SrRuO3 thin film and applicability of standard first-principles approximations to metallic magnetism

Ryee

Han

2017

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A systematic first-principles study has been performed to understand the magnetism of thin film SrRuO3 which lots of research efforts have been devoted to but no clear consensus has been reached about its ground state properties. The relative t 2g level difference, lattice distortion as well as the layer thickness play together in determining the spin order. In particular, it is important to understand the difference between two standard approximations, namely LDA and GGA, in describing this metallic magnetism. Landau free energy analysis and the magnetization-energy-ratio plot clearly show the different tendency of favoring the magnetic moment formation, and it is magnified when applied to the thin film limit where the experimental information is severely limited. As a result, LDA gives a qualitatively different prediction from GGA in the experimentally relevant region of strain whereas both approximations give reasonable results for the bulk phase. We discuss the origin of this difference and the applicability of standard methods to the correlated oxide and the metallic magnetic systems.

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Quasiparticle self-consistent GW calculation of Sr2RuO4 and SrRuO3

Cited by 22 publications

References 107 publications

Quantum transport evidence of Weyl fermions in an epitaxial ferromagnetic oxide

Quantum transport evidence of Weyl fermions in an epitaxial ferromagnetic oxide

Strain Induced Metal–Insulator Transition of Magnetic SrRuO3 Single Layer in SrRuO3/SrTiO3 Superlattice

Magnetic ground state of SrRuO3 thin film and applicability of standard first-principles approximations to metallic magnetism

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