Origin of the magnetic and orbital ordering in 
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Pandey, Bradraj; Zhang, Yang; Kaushal, Nitin; Soni, Rahul; Lin, Ling-Fang; Hu, Wen-Jun; Álvarez, Gonzalo; Dagotto, Elbio

doi:10.1103/physrevb.103.045115

Cited by 25 publications

(12 citation statements)

References 59 publications

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“…1(b)). Theoretical calculations of the ground state orbital structure also revealed an AF pattern in the occupancy of d zx and d yz orbitals on neighboring Cr 4+ ions (Cr(1) and Cr(2)) below T O , in addition to AF spin ordering below T N [11,15]. These AF spin and orbital orderings produce different partial densities of states on neighboring Cr ions, resulting in an energy scale of 1.0 eV for inter-site spin hopping from Cr(1) to Cr(2) (Cr(2) to Cr(1)) sites between d zx (d yz ) orbitals, as indicated by the orange arrows in Fig.…”

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confidence: 93%

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Ultrafast signatures of spin and orbital order in antiferromagnetic $α$-Sr$_2$CrO$_4$

Lee¹,

Occhialini²,

Li³

et al. 2021

Preprint

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We used femtosecond optical spectroscopy to study ultrafast spin and orbital ordering dynamics in the antiferromagnetic Mott insulator α-Sr2CrO4. This chromate system possesses multiple spin and orbital ordered phases, and therefore could enable us to study the unique interplay between these collective phases through their non-equilibrium response to photoexcitation. Here, by varying the pump photon energy, we selectively drove inter-site spin hopping between neighboring Cr t2g orbitals and charge transfer-type transitions between oxygen 2p and Cr eg orbitals. The resulting transient reflectivity dynamics revealed temperature-dependent anomalies across the Néel temperature for spin ordering as well as the transition temperatures linked to different types of orbital order. Our results reveal distinct relaxation timescales for spin and orbital orders in α-Sr2CrO4 and provide experimental evidence for the phase transition at TO, possibly related to antiferro-type orbital ordering.

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confidence: 93%

“…The case of α-Sr 2 CrO 4 is particularly interesting, as it has been shown to exhibit multiple spin and orbital ordering transitions in the Mott insulating ground state (Fig. 1(a)) [8][9][10][11][12]. α-Sr 2 CrO 4 presents a unique electronic configuration, with two electrons in t 2g orbitals and total spin of S = 1.…”

mentioning

confidence: 99%

Ultrafast signatures of spin and orbital order in antiferromagnetic $α$-Sr$_2$CrO$_4$

Lee¹,

Occhialini²,

Li³

et al. 2021

Preprint

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“…One-dimensional material systems continue attracting considerable attention due to their rich physical properties, where the charge, spin, orbital, and lattice degrees of freedom are intertwinned in a reduced dimensional phase space [1][2][3][4]. Remarkable physical phenomena have been reported in different one-dimensional systems, such as high critical temperature superconductivity in copper chains and ladders [5][6][7], ferroelectricity [8][9][10], spin block states [11,12], nodes in spin density [13], orbital ordering [14,15], orbital-selective Mott phases [16,17], and charge density wave or Peierls distortions [10,[18][19][20].…”

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confidence: 99%

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

Zhang,

Lin,

Alvarez

et al. 2021

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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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“…In these materials a wide variety of interesting phenomena have been found driven by the Coulomb repulsion U and Hund coupling J H . The list includes high-T c superconductivity [5][6][7][8][9][10], orbital ordering [11][12][13], multiferroicity due to charge or spin ordering [14][15][16][17], and orbital-selective Mott phases (OSMP) [18][19][20][21]. Interestingly for our purposes, molecular-orbital clusters are also known to exist in some inorganic compounds containing correlated electronic TM atoms [22,23], such as dimers in Li 2 RuO 3 [24] and (TaSe 4 ) 2 I [25], trimers in Ba 3 Ru 4 O 10 [26], heptamers in AlV 2 O 4 [27] and others [28][29][30][31][32][33].…”

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confidence: 99%

Orbital-selective Peierls phase in the metallic dimerized chain MoOCl$_2$

Zhang,

Lin,

Moreo

et al. 2021

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Using ab initio density functional theory, here we systematically study the monolayer MoOCl2 with a 4d 2 electronic configuration. Our main results is that an orbital-selective Peierls phase (OSPP) develops in MoOCl2, resulting in the dimerization of the Mo chain along the b-axis. Specifically, the Mo-dxy orbitals form robust molecular-orbital states inducing localized dxy singlet dimers, while the Mo-d xz/yz orbitals remain delocalized and itinerant. Our study shows that MoOCl2 is globally metallic, with the Mo-dxy orbital bonding-antibonding splittings opening a gap and the Mo-d xz/yz orbitals contributing to the metallic conductivity. Overall, the results resemble the recently much discussed orbital-selective Mott phase but with the localized band induced by a Peierls distortion instead of Hubbard interactions. Finally, we also qualitatively discuss the possibility of OSPP in the 3d 2 configuration, as in CrOCl2.

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Origin of the magnetic and orbital ordering in α−Sr2CrO4

Cited by 25 publications

References 59 publications

Ultrafast signatures of spin and orbital order in antiferromagnetic $α$-Sr$_2$CrO$_4$

Ultrafast signatures of spin and orbital order in antiferromagnetic $α$-Sr$_2$CrO$_4$

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

Orbital-selective Peierls phase in the metallic dimerized chain MoOCl$_2$

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