Lattice dynamical properties of superconducting SrPt3P studied via inelastic x-ray scattering and density functional perturbation theory

被引:13
作者
Zocco, D. A. [1 ]
Krannich, S. [1 ]
Heid, R. [1 ]
Bohnen, K. -P. [1 ]
Wolf, T. [1 ]
Forrest, T. [2 ]
Bosak, A. [2 ]
Weber, F. [1 ]
机构
[1] Karlsruhe Inst Technol, Inst Solid State Phys IFP, D-76021 Karlsruhe, Germany
[2] ESRF, F-38043 Grenoble, France
来源
PHYSICAL REVIEW B | 2015年 / 92卷 / 22期
关键词
NORM-CONSERVING PSEUDOPOTENTIALS; MIXED-BASIS APPROACH; ELECTRONIC-STRUCTURE; NB;
D O I
10.1103/PhysRevB.92.220504
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We present a study of the lattice dynamical properties of superconducting SrPt3P (T-c = 8.4 K) via high-resolution inelastic x-ray scattering (IXS) and ab initio calculations. Density functional perturbation theory including spin-orbit coupling results in enhanced electron-phonon coupling (EPC) for the optic phonon modes originating from the Pt(I) atoms, with energies similar to 5 meV, resulting in a large EPC constant lambda similar to 2. An overall softening of the IXS powder spectra occurs from room to low temperatures, consistent with the predicted strong EPC and with recent specific-heat experiments (2 Delta(0)/k(B)T(c) similar to 5). The low-lying phonon modes observed in the experiments are approximately 1.5 meV harder than the corresponding calculated phonon branch. Moreover, we do not find any changes in the spectra upon entering the superconducting phase. We conclude that current theoretical calculations underestimate the energy of the lowest band of phonon modes indicating that the coupling of these modes to the electronic subsystem is overestimated.
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页数:5
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共 26 条
  • [1] NEUTRON SPECTROSCOPY OF SUPERCONDUCTORS
    ALLEN, PB
    [J]. PHYSICAL REVIEW B, 1972, 6 (07): : 2577 - &
  • [2] Neutron-scattering profile of Q not equal 0 in BCS superconductors
    Allen, PB
    Kostur, VN
    Takesue, N
    Shirane, G
    [J]. PHYSICAL REVIEW B, 1997, 56 (09): : 5552 - 5558
  • [3] Hydrogen dominant metallic alloys: High temperature superconductors?
    Ashcroft, NW
    [J]. PHYSICAL REVIEW LETTERS, 2004, 92 (18) : 187002 - 1
  • [4] RELATIVISTIC NORM-CONSERVING PSEUDOPOTENTIALS
    BACHELET, GB
    SCHLUTER, M
    [J]. PHYSICAL REVIEW B, 1982, 25 (04): : 2103 - 2108
  • [5] Phonons and related crystal properties from density-functional perturbation theory
    Baroni, S
    de Gironcoli, S
    Dal Corso, A
    Giannozzi, P
    [J]. REVIEWS OF MODERN PHYSICS, 2001, 73 (02) : 515 - 562
  • [6] Manifesto for a higher Tc
    Basov, D. N.
    Chubukov, Andrey V.
    [J]. NATURE PHYSICS, 2011, 7 (04) : 272 - 276
  • [7] Electronic and vibrational properties of TiSe2 in the charge-density-wave phase from first principles
    Bianco, Raffaello
    Calandra, Matteo
    Mauri, Francesco
    [J]. PHYSICAL REVIEW B, 2015, 92 (09)
  • [8] First-principles calculations of the electronic and phonon properties of APt3P (A = Ca, Sr, and La): Evidence for a charge-density-wave instability and a soft phonon
    Chen, Hui
    Xu, Xiaofeng
    Cao, Chao
    Dai, Jianhui
    [J]. PHYSICAL REVIEW B, 2012, 86 (12)
  • [9] Conventional superconductivity at 203 kelvin at high pressures in the sulfur hydride system
    Drozdov, A. P.
    Eremets, M. I.
    Troyan, I. A.
    Ksenofontov, V.
    Shylin, S. I.
    [J]. NATURE, 2015, 525 (7567) : 73 - +
  • [10] 1ST-PRINCIPLES CALCULATION OF THE EQUILIBRIUM GROUND-STATE PROPERTIES OF TRANSITION-METALS - APPLICATIONS TO NB AND MO
    FU, CL
    HO, KM
    [J]. PHYSICAL REVIEW B, 1983, 28 (10): : 5480 - 5486