The Pressure Effects on Electronic Structure of Iron Chalcogenide Superconductors FeSe<sub>1-x</sub>Te<sub>x</sub>

Ciechan, A.; Winiarski, M.; Samsel‐Czekała, M.

doi:10.12693/aphyspola.121.820

Cited by 26 publications

(44 citation statements)

References 32 publications

(44 reference statements)

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“…The exchange-correlation potential was treated within the local spin density approximation 28 of the DFT. The calculated basic features of electronic structure of FeSe appeared to be in a qualitative agreement with results of previous DFT calculations [29][30][31][32] . As is seen in Figs below E F .…”

Section: Computational Details and Resultssupporting

confidence: 87%

“…This estimate is also close to the ab initio calculated pressure derivative based on theoretical lattice parameters from Ref. 32 (d lnχ/dP ≃ 8 × 10 −2 GPa −1 , see Table I). Actually, the difference in these evaluated values of d lnχ/dP , depending on whether experimental or theoretical lattice parameters are employed, covers a reasonable range for the expected pressure effect on χ.…”

Section: Gpasupporting

confidence: 88%

“…The calculated pressure dependence of DOS at the Fermi level for FeSe with the structural parameters taken from Ref. 32 (the lower curve in Fig. 10) also contains consecutive maximum and minimum of N (E F ), which are substantially shifted to higher pressures.…”

Section: Gpamentioning

confidence: 78%

“…These calculations are based upon the pressure dependent structural parameters, which have been calculated and listed in Ref. 32. As is seen in Fig.…”

Section: Discussionmentioning

confidence: 99%

“…In addition to the calculated structural parameters from Ref. 32, we also employed the small upward shift ∆Z = +0.004 to start the optimized Z(P ) dependence from the experimental value Z = 0.26 (see Z(P ) behavior in Fig. 9).…”

Section: Gpamentioning

confidence: 99%

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Magnetic properties of novel FeSe(Te) superconductors

Grechnev

Панфилов

Fedorchenko

et al. 2012

Journal of Magnetism and Magnetic Materials

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A detailed magnetization study for the novel FeSe superconductor is carried out to investigate the behavior of the intrinsic magnetic susceptibility χ in the normal state with temperature and under hydrostatic pressure. The temperature dependencies of χ and its anisotropy ∆χ = χ − χ ⊥ are measured for FeSe single crystals in the temperature range 4.2 − 300 K, and a substantial growth of susceptibility with temperature is revealed. The observed anisotropy ∆χ is very large and comparable with the averaged susceptibility at low temperatures. For a polycrystalline sample of FeSe, a significant pressure effect on χ is determined to be essentially dependent on temperature. Ab initio calculations of the pressure dependent electronic structure and magnetic susceptibility indicate that FeSe is close to magnetic instability with dominating enhanced spin paramagnetism. The calculated paramagnetic susceptibility exhibits a strong dependence on the unit cell volume and especially on the height Z of chalcogen species from the Fe plane. The change of Z under pressure determines a large positive pressure effect on χ which is observed at low temperatures. It is shown that the literature experimental data on the strong and nonmonotonic pressure dependence of the superconducting transition temperature in FeSe correlate qualitatively with calculated behavior of the density of electronic states at the Fermi level.

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Section: Computational Details and Resultssupporting

confidence: 87%

Section: Gpasupporting

confidence: 88%

Section: Gpamentioning

confidence: 78%

“…These calculations are based upon the pressure dependent structural parameters, which have been calculated and listed in Ref. 32. As is seen in Fig.…”

Section: Discussionmentioning

confidence: 99%

Section: Gpamentioning

confidence: 99%

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Magnetic properties of novel FeSe(Te) superconductors

Grechnev

Панфилов

Fedorchenko

et al. 2012

Journal of Magnetism and Magnetic Materials

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The Effects of Pressure on the Structural, Electronic, and Lattice Dynamical Properties of FeSe Superconductor

Wang

Wei

et al. 2014

J Low Temp Phys

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Motivated by the experimental huge enhancement of the superconducting transition temperature T c in FeSe superconductor under high pressure, we perform first-principles calculations of the evolutions of structural, electronic, and lattice dynamical properties of FeSe at varying hydrostatic pressures up to 8 GPa. The pressure response is anisotropic with a larger compressibility along c-axis. At ambient pressure, Fermi surface nesting between hole and electron pockets induces spin density wave (SDW) order at the vector (π , π , 0) with a collinear antiferromagnetic structure. With the increase of pressure, the Fermi surface nesting is reduced, and therefore the SDW is suppressed, which could not enhance superconductivity based on the spin-fluctuation scenario. For the phonon dispersion, the bands have blue-shift except for the modes around 100 cm −1 , indicating hardening of the vibration modes in a wide frequency range. Furthermore, the electron-phonon coupling constant and the corresponding T c by McMillan equation are calculated. However, there is no obvious enhancement of T c under pressure, which further rules out the conventional phonon-mediated superconductivity of FeSe. Maybe the local magnetic moment plays an important role for the superconductivity and enhancement of T c under pressure.

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Superconducting Properties of F e S e 0.5 T e 0.5 Under High Pressure

Martínez-Piñeiro

Escudero

2016

J Supercond Nov Magn

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This work reports studies performed in the superconducting compound F eSe0.5T e0.5 under high pressure. Changes were observed in the transition temperature, superconducting critical fields, anomalous variations in the Meissner fraction, and in Ginzburg Landau parameters. The superconducting properties were calculated and compared using the Werthamer-Helfand-Hohenber approximation and Ginzburg-Landau theory. Hydrostatic pressure was produced from atmospheric to 823 MPa, the increment in the critical temperature was from 14.45 to 20.5 K at a rate of change about 0.0069 K/MPa.

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The Pressure Effects on Electronic Structure of Iron Chalcogenide Superconductors FeSe_1-xTe_x

Cited by 26 publications

References 32 publications

Magnetic properties of novel FeSe(Te) superconductors

Magnetic properties of novel FeSe(Te) superconductors

The Effects of Pressure on the Structural, Electronic, and Lattice Dynamical Properties of FeSe Superconductor

Superconducting Properties of F e S e 0.5 T e 0.5 Under High Pressure

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The Pressure Effects on Electronic Structure of Iron Chalcogenide Superconductors FeSe1-xTex

Cited by 26 publications

References 32 publications

Magnetic properties of novel FeSe(Te) superconductors

Magnetic properties of novel FeSe(Te) superconductors

The Effects of Pressure on the Structural, Electronic, and Lattice Dynamical Properties of FeSe Superconductor

Superconducting Properties of F e S e 0.5 T e 0.5 Under High Pressure

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The Pressure Effects on Electronic Structure of Iron Chalcogenide Superconductors FeSe_1-xTe_x