Effects of pressure on the electronic and structural properties of LaOFeAs

Yang, Yong; Hu, Xi

doi:10.1063/1.3236671

Cited by 10 publications

(8 citation statements)

References 44 publications

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“…3(a), necessitating other causes for the observed decrease in B loc with increasing pressure. In this regard, it is interesting to note that a reduction of the Fe-moment magnitude under pressure is predicted by theoretical studies of LaFeAsO [24][25][26], which is understood as a result of the increased energy band width. Our estimation indicates that the reduction of the Fe moment by ∼25% is sufficient to account for the experimental result around 2 GPa.…”

Section: A Muon Sitementioning

confidence: 96%

Magnetism driven by strong electronic correlations in the heavily carrier-doped iron oxypnictide LaFeAsO0.49H0.51

et al. 2020

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The magnetism of the second antiferromagnetic phase (AF2) arising in the iron-based LaFeAsO 1−x H x superconductor for x 0.4 was investigated by muon spin rotation measurements under hydrostatic pressure up to 2.6 GPa. The Néel temperature (T N) obtained for a sample with x = 0.51 exhibits considerably greater sensitivity to pressure than that in the pristine antiferromagnetic phase (AF1; x 0.06). Moreover, while the AF1 phase is always accompanied by the structural transition (from tetragonal to orthorhombic) at a temperature (T s) which is slightly higher than T N , the AF2 phase prevails at higher pressures, above ∼1.5 GPa, where the structural transition is suppressed (T s = 0). These features indicate that the microscopic origin of the AF2 phase is distinct from that of AF1, suggesting that electronic correlation plays an important role in the former phase. We argue that the orbital-selective Mott transition is a plausible scenario to account for the observed pressure dependence of T N and T s in the AF2 phase.

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Section: A Muon Sitementioning

confidence: 96%

Magnetism driven by strong electronic correlations in the heavily carrier-doped iron oxypnictide LaFeAsO0.49H0.51

et al. 2020

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“…However, the magnitude of compression along ) and along c-axis ( c  direction). Similar to LaOFeAs [19], the c-axis is more compressible than the ab-plane.…”

Section: B Fermi Surfaces and Band Structuresmentioning

confidence: 99%

“…Up to now, pressure-induced superconductivity has been reported in LaOFeAs [16], CaFe 2 As 2 [17] and SrFe 2 As 2 [18]. First-principles calculations on LaOFeAs have shown that the electronic density of states (DOS) at the Fermi level of the AFM phase is significantly enhanced by applied pressure [19,20]. Then, one may naturally ask, how about the pressure response of LaOFeP, which is the firstly reported Fe-based superconductor [21], and an analogue of LaOFeAs?…”

Section: Introductionmentioning

confidence: 99%

Effects of pressure on the electronic structures of LaOFeP

Yang

2013

Physics Letters A

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We studied the electronic structures of LaOFeP under applied pressure using first-principles calculations. The electronic density of states at the Fermi level decreases continuously with increasing pressure. The electron branches of Fermi surfaces are rather robust to pressure, while the hole branches change significantly.Two hole surfaces shrink into small ellipsoid-like surfaces and disappear finally, at which the applied pressure is ~ 74.7 GPa. The pressure response can be understood by the band structures around the Fermi level. Comparative studies reveal that the disappearance of hole surfaces is mainly due to the compression of the FeP layer along the c-axis of unit cell.

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“…A density functional theory (DFT) study on the undoped LaFeAsO compound shows that the Fe moment drops by a factor of ~3 within the pressure range of ±5 GPa [22]. It also predicts that the magnetic order disappears under 20 GPa [22] or 29.5 GPa [23] pressures.…”

Section: Introductionmentioning

confidence: 99%

An investigation of the interrelationship between pressure and correlation in LaFeAsO under pressure

Hesani

Yazdani

2018

Physica C: Superconductivity and its Applications

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Here, we investigated the interrelationship between pressure and correlation in the LaFeAsO compound by the density functional theory method combined with the dynamical mean field theory (DFT+DMFT) method. The spectral function and the occupation number (ON) of Fe-3d orbitals at different pressures were extracted from the calculations, and the importance of the role of correlation in superconductivity in iron-based compounds was indicated. The measured ON of Fe-3d orbitals demonstrated charge transfer between them and also the crucial role of the Fe-3dxy (xy) orbital in superconductivity in these materials. A switching behavior between high and low TC through decreasing the correlation was observed in our calculations, originating from the orbital switching. This shows the significant role of the orbital degrees of freedom in iron-based superconductors.

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Effects of pressure on the electronic and structural properties of LaOFeAs

Cited by 10 publications

References 44 publications

Magnetism driven by strong electronic correlations in the heavily carrier-doped iron oxypnictide LaFeAsO0.49H0.51

Magnetism driven by strong electronic correlations in the heavily carrier-doped iron oxypnictide LaFeAsO0.49H0.51

Effects of pressure on the electronic structures of LaOFeP

An investigation of the interrelationship between pressure and correlation in LaFeAsO under pressure

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