Gradual enhancement of stripe-type antiferromagnetism in the spin-ladder material 
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>BaFe</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">S</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>
 under pressure

Zheng, Liangliang; Frandsen, Benjamin A.; Wu, Chenjun; Yi, Ming; Wu, Shu Qi; Huang, Q.; Bourret-Courchesne, Edith; Simutis, Gediminas; Khasanov, R.; Yao, Dao‐Xin; Wang, Meng; Birgeneau, R. J.

doi:10.1103/physrevb.98.180402

Cited by 23 publications

(16 citation statements)

References 34 publications

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“…To find out what magnetic configuration becomes the ground state of RbFe 2 Te 3 , we adopted the spin polarized method within the GGA potential to fully relax the crystal lattices and atomic position since the PBE-GGA function was widely used in previous DFT calculations of twoleg iron ladder systems [26,28,38,39]. Various possible (in-ladder) magnetic arrangements were imposed on the iron ladders [see Fig.…”

Section: Physical Properties Of Rbfe2te3mentioning

confidence: 99%

“…Superconductivity was observed at P ∼ 11 GPa with the highest critical temperature T c being 24 K [10,22]. Since then, several experimental and theoretical studies have followed [23][24][25][26][27]. Above 10 GPa, a metal-insulator transition (MIT) and associated firstorder magnetic phase transition were recently observed for BaFe 2 S 3 [28,29].…”

Section: Introductionmentioning

confidence: 99%

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Magnetic states of iron-based two-leg ladder tellurides

et al. 2019

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The recent discovery of superconductivity at high pressure in the two-leg ladder compounds BaFe2X3 (X=S, Se) started the novel field of quasi-one-dimensional iron-based superconductors. In this publication, we use Density Functional Theory (DFT) to predict that the previously barely explored ladder compound RbFe2Te3 should be magnetic with a CX-type arrangement involving ferromagnetic rungs and antiferromagnetic legs, at the realistic density of n = 5.5 electrons per iron. The magnetic state similarity with BaFe2S3 suggests that RbFe2Te3 could also become superconducting under pressure. Moreover, at n = 6.0 our DFT phase diagrams (with and without lattice tetramerization) reveal that the stable magnetic states could be either a 2×2 magnetic Block-type, as for X=Se, or a previously never observed before CY-type state, with ferromagnetic legs and antiferromagnetic rungs. In the Te-based studies, electrons are more localized than in S, implying that the degree of electronic correlation is enhanced for the Te case.

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Section: Physical Properties Of Rbfe2te3mentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Magnetic states of iron-based two-leg ladder tellurides

et al. 2019

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“…So far, the evolution of magnetic order with pressure over a large pressure range has only been studied indirectly by means of resistivity measurements [6], while investigations with magnetic local probes have only been reported up to 2.6 GPa [10,11]. In order to fill this knowledge gap we performed synchrotron 57 Fe Mössbauer spectroscopy (SMS) experiments on BaFe 2 S 3 single crystals as a function of temperature and pressure up to 9.9 GPa.…”

mentioning

confidence: 99%

Bandwidth controlled insulator-metal transition in BaFe2S3 : A Mössbauer study under pressure

Materne

Zhao

et al. 2019

Phys. Rev. B

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BaFe2S3 is a quasi one-dimensional Mott insulator that orders antiferromagnetically below 117(5) K. The application of pressure induces a transition to a metallic state, and superconductivity emerges. The evolution of the magnetic behavior on increasing pressure has up to now been either studied indirectly by means of transport measurements, or by using local magnetic probes only in the low pressure region. Here, we investigate the magnetic properties of BaFe2S3 up to 9.9 GPa by means of synchrotron 57 Fe Mössbauer spectroscopy experiments, providing the first local magnetic phase diagram. The magnetic ordering temperature increases up to 185(5) K at 7.5 GPa, and is fully suppressed at 9.9 GPa. The low-temperature magnetic hyperfine field is continuously reduced from 12.9 to 10.3 T between 1.4 and 9.1 GPa, followed by a sudden drop to zero at 9.9 GPa indicating a first-order phase transition. The pressure dependence of the magnetic order in BaFe2S3 can be qualitatively explained by a combination of a bandwidth-controlled insulator-metal transition as well as a pressure enhanced exchange interaction between Fe-atoms and Fe 3d -S 3p hybridization.

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“…Because superconductivity at high pressure was reported a few years ago in the two-leg ladder compounds BaFe 2 X 3 (X = S, Se) [21,22] with electronic density n = 6, the iron ladders became interesting one-dimensional systems to research high-temperature iron-based superconductors [23][24][25][26][27][28][29][30][31]. BaFe 2 S 3 displays a stripe-type antiferromagnetic (AFM) order below 12 K, involving AFM legs and ferromagnetic (FM) rungs (this state is called CX) [21,32].…”

Section: Introductionmentioning

confidence: 99%

Magnetic states of quasi-one-dimensional iron chalcogenide Ba$_2$FeS$_3$

Zhang,

Lin,

Alvarez

et al. 2021

Preprint

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Quasi-one-dimensional iron-based ladders and chains, with the 3d iron electronic density n = 6, are attracting considerable attention. Recently, a new iron chain system Ba2FeS3, also with n = 6, was prepared under high-pressure and high-temperature conditions. Here, the magnetic and electronic phase diagrams are theoretically studied for this quasi-one-dimensional compound. Based on firstprinciples calculations, a strongly anisotropic one-dimensional electronic band behavior near the Fermi level was observed. In addition, a three-orbital electronic Hubbard model for this chain was constructed. Introducing the Hubbard and Hund couplings and studying the model via the density matrix renormalization group (DMRG) method, we studied the ground-state phase diagram. A robust staggered ↑-↓-↑-↓ AFM region was unveiled in the chain direction, consistent with our density functional theory (DFT) calculations. Furthermore, at intermediate Hubbard U coupling strengths, this system was found to display an orbital selective Mott phase (OSMP) with one localized orbital and two itinerant metallic orbitals. At very large U/W (W = bandwidth), the system displays Mott insulator characteristics, with two orbitals half-filled and one doubly occupied. Our results for high pressure Ba2FeS3 provide guidance to experimentalists and theorists working on this onedimensional iron chalcogenide chain material.

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Gradual enhancement of stripe-type antiferromagnetism in the spin-ladder material BaFe2S3 under pressure

Cited by 23 publications

References 34 publications

Magnetic states of iron-based two-leg ladder tellurides

Magnetic states of iron-based two-leg ladder tellurides

Bandwidth controlled insulator-metal transition in BaFe2S3 : A Mössbauer study under pressure

Magnetic states of quasi-one-dimensional iron chalcogenide Ba$_2$FeS$_3$

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