We report inelastic neutron scattering measurements of the phonon density-of-states in superconducting Sr0.6K0.4Fe2As2 (Tc=30 K) and Ca0.6Na0.4Fe2As2 (Tc=18 K). Compared with the parent compound BaFe2As2 doping affects mainly the lower and intermediate frequency part of the vibrations. Mass effects and lattice contraction cannot explain these changes. A lattice dynamical model has been used to identify the character of the various phonon bands. Softening of phonon modes below 10 meV has been observed in both samples on cooling from 300 K to 140 K. In the Ca doped compound the softening amounts to about 1 meV while for the Sr doped compound the softening is about 0.5 meV. There is no appreciable change in the phonon density of states when crossing Tc.
A softening of phonon-dispersion has been observed experimentally in under-doped cuprate superconductors at the charge-density wave (CDW) ordering wave vector. Interestingly, the softening occurs below the superconducting (SC) transition temperature T$_{c}$, in contrast to the metallic systems, where the softening occurs usually below the CDW onset temperature T$_{\text{CDW}}$. An understanding of the `anomalous' nature of the phonon-softening and its connection to the pseudo-gap phase in under-doped cuprates remain open questions. Within a perturbative approach, we show that a complex interpl…
We observe strong softening of optical phonon modes in superconducting (Tc = 4.2 K) boron doped diamond near the Brillouin zone center using inelastic x-ray scattering from a CVD-grown highly oriented sample. The magnitude of the softening, and our observation that it becomes stronger approaching zone center, supports theoretical models suggesting a phonon-mediated pairing mechanism via coupling of optical phonon modes to Fermi surfaces around the zone center. The electron-phonon coupling parameter is determined as approximately lambda= 0.33.
The dispersion of phonons in Ba1-xKxBiO3 along the (3+q, 0, 0) direction in reciprocal space was determined for x=0, 0.30, 0.37, 0.52 using high-resolution inelastic X-ray scattering. The observed phonon energies near Γwere in good agreement with published optical data. It was found that two high-energy modes strongly soften near q=0.25 when the system becomes metallic (x >0.35). There was no softening in the insulating phase, even at x=0.30, very near the metal-insulator transition. This suggests that the phonon softening is linked to the appearance of the Fermi-surface.
The effects of phosphorus doping on the structural and superconducting phase transitions of BaNi$_2$(As$_{1-x}$P$_x$)$_2$ were studied. The specific heat, resistivity, and magnetic susceptibility were measured. The results revealed an abrupt increase in the superconducting transition temperature ($T_c$) from 0.6 K in the triclinic phase (space group P$\bar{1}$) with less phosphorus (0 $\leq$ $x$ $\leq$ 0.067) to 3.3 K in the tetragonal phase (space group I4/mmm) with more phosphorus ($x$ $\geq$ 0.067). Our data analysis suggests that a doping-induced softening related to an in-plane Ni and As(…
We report measurements of the phonon density-of-states in iron oxypnictide superconductors by inelastic x-ray scattering. A good agreement with ab-initio calculations that do not take into account strong electronic correlations is found, and an unpredicted softening of phonon branches under F doping of these compounds is observed. Raman scattering experiments lead us to conclude that this softening is not related to zone center phonons, and consequently imply an important softening of the relevant phonon branches at finite momentum transfer Q.
BaNi$_2$As$_2$ is a nonmagnetic analogue of the iron pnictide superconductors, and in its tetragonal state exhibits an incommensurate charge-density-wave (IC-CDW) and a sizable elastoresistance. In this work, phonons in BaNi$_2$As$_2$ associated with the IC-CDW and uniform in-plane lattice distortions are investigated using high-resolution inelastic X-ray scattering. The in-plane transverse acoustic phonons reveal no softening at temperatures where the elastoresistance increases strongly, indicating the latter to be electronically driven. Systematic phonon measurements reveal the IC-CDW occurs…
The effects of copper doping on the structural and superconducting phase transitions of Ba(Ni$_{1-x}$Cu$_{x}$)$_{2}$As$_{2}$ were studied by examining the resistivity, magnetic susceptibility, and specific heat. We found an abrupt increase in the superconducting transition temperature $T_{\rm c}$ from 0.6 K in the triclinic phase with less copper ($x$ $\leq$ 0.16) to 2.5-3.2 K in the tetragonal phase with more copper ($x$ $>$ 0.16). The specific-heat data suggested that doping-induced phonon softening was responsible for the enhanced superconductivity in the tetragonal phase. All of these obse…
The lattice dynamics and the effect of pressure on superconducting LiFeAs in both nonmagnetic (NM) and striped antiferromagnetic (SAF) phases are investigated using the plane-wave pseudopotential, density-functional-based method. While the obtained electron-phonon coupling $λ$ is very small for the NM calculation, the softening of phonon in the SAF phase may lead to a large increase in $λ$. In the SAF phase, strong anisotropy of the phonon softening in the Fe plane is found to arise from different spin orders in the $x$ and $y$ directions, indicating that the phonon softening is of spin-phonon…
Analogous to 2D layered transition metal dichalcogenides, the TlSe family of 1D chain materials with Zintl-type structure exhibits exotic phenomena under high-pressure. In the present work, we have systematically investigated the high-pressure behavior of TlInTe 2 using Raman spectroscopy, synchrotron X-ray diffraction, and transport measurements, in combination with crystal structure prediction (CSP) based on the evolutionary approach and first principles calculations. We found that TlInTe$_2$ undergoes a pressure driven semiconductor to semimetal transition at 4 GPa, followed by a supercondu…
The highly distinctive phonon self-energy dependences on the wave vector, calculated respectively for the static and dynamic stripe phase models of the underdoped cuprates are presented. The negative values of the real part of the on-stripe holes polarization loop lead to appearance of localized vibration states in the presence of well-separated stripes, relevant for underdoped cuprates. The localized modes split below the bare optical phonon frequencies exhibiting strong ``softening effect''. The calculated gap between localized and propagating phonon frequencies is practically doping indepen…
We present Raman measurements on the iron-pnictide superconductors CeFeAsO_{1-x}F_{x} and NdFeAsO{1-x}F_{x}. Modeling the Fe-As plane in terms of harmonic and a cubic anharmonic Fe-As interaction we calculate the temperature dependence of the energy and lifetime of the Raman active Fe B_{1g} mode and fit to the observed energy shift. The shifts and lifetimes are in good agreement with those measured also in other Raman studies which demonstrate that the phonon spectrum is well represented by phonon-phonon interactions without any significant electronic contribution. We also estimate the anharm…
Polarized Raman scattering measurements have been performed on Na0.5CoO2 single crystal from 8 to 305 K. Both the A1g and E1g phonon modes show a softening below Tc1 ~ 83 K. Additionally, the A1g phonon mode, which is forbidden in the scattering geometry of cross polarization for the triangular CoO2 layers, appears below Tc1. In contrast, the metal-insulator transition at Tc2 ~ 46 K has only secondary effect on the Raman spectra. The phonon softening and the ``forbidden'' Raman intensity follow closely magnetic order parameter and the gap function at the Fermi surface, indicating that the dist…
In this work we present the results of an inelastic x-ray scattering experiment detailing the behavior of the transverse acoustic [110] phonon in BaFe2As2 as a function of temperature. When cooling through the structural transition temperature, the transverse acoustic phonon energy is reduced from the value at room temperature, reaching a maximum shift near inelastic momentum transfer q=0.1. This softening of the lattice results in a change of the symmetry from tetragonal to orthorhombic at the same temperature as the transition to long-range antiferromagnetic order. While the lattice distorti…
Quantum phase transitions play an important role in shaping the phase diagram of high-temperature cuprate superconductors. These cuprates possess intertwined orders which interact strongly with superconductivity. However, the evidence for the quantum critical point associated with the charge order in the superconducting phase remains elusive. Here we show the short-range charge orders and the spectral signature of the quantum fluctuations in La$_{2-x}$Sr$_x$CuO$_4$ (LSCO) near the optimal doping using high-resolution resonant inelastic X-ray scattering. On performing calculations through a dia…
Phonons in nearly optimally doped HgBa$_2$CuO$_{4+δ}$ were studied by inelastic X-ray scattering. The dispersion of the low energy modes is well described by a shell model, while the Cu-O bond stretching mode at high energy shows strong softening towards the zone boundary, which deviates strongly from the model. This seems to be common in the hole-doped high-$T_\mathrm{c}$ superconducting cuprates, and, based on this work, not related to a lattice distortion specific to each material.
Monoclinic crystal structure of the undoped BaBiO3 can be described as a cubic perovskite distorted by a frozen breathing and tilting phonon modes of BiO6 octahedra. The phonon mode softening is experimentally observed [M. Braden et al., Europhysics Letters (EPL) 34, 531 (1996)] in Ba1-xKxBiO3 through potassium doping followed by a transition into an ideal cubic perovskite structure at x = 0.37 close to the appearance of superconductivity. In our previous paper [D. Korotin et al., Journal of Physics: Condensed Matter 24, 415603 (2012)] we demonstrated that it is necessary to take into account …
We report the first measurement of the optical phonon dispersion in optimally doped single layer Bi2Sr1.6La0.4Cu2O6+delta using inelastic x-ray scattering. We found a strong softening of the Cu-O bond stretching phonon at about q=(0.25,0,0) from 76 to 60 meV, similar to the one reported in other cuprates. A direct comparison with angle-resolved photoemission spectroscopy measurements taken on the same sample, revealed an excellent agreement in terms of energy and momentum between the ARPES nodal kink and the soft part of the bond stretching phonon. Indeed, we find that the momentum space where…
Quasiparticle dynamics of FeSe single crystals revealed by dual-color transient reflectivity measurements (ΔR/R) provides unprecedented information on Fe-based superconductors. The amplitude of fast component in ΔR/R clearly tells a competing scenario between spin fluctuations and superconductivity. Together with the transport measurements, the relaxation time analysis further exhibits anomalous changes at 90 K and 230 K. The former manifests a structure phase transition as well as the associated phonon softening. The latter suggests a previously overlooked phase transition or crossover in FeS…
Experimental evidence for a transient enhancement of the superconducting critical temperature in presence of an intense THz or IR pump pulse was ascribed to nonlinear phononics effects. Here I introduce a simple phenomenological Ginzburg-Landau model of this phenomenon, to explore further consequences and possible experimental tests of this interpretation. Upon cooling below Tc in the absence ofTHz pumping, both an abrupt softening of a Raman-active mode frequency and a spontaneous lattice distortion, growing linearly with (Tc - T), are predicted to occur. Numerical estimates for YBa2Cu3O6+x i…
We have observed a softening of phonons and a structural phase transition in a superconducting Ba0.59K0.41BiO3 (Tc = 31 K) single crystal using elastic and inelastic neutron scattering measurements. The soft phonon occurs for the [111] transverse acoustic mode at the zone boundary. The phonon energies in this vicinity are found to continuously decrease with decreasing temperature from above room temperature to 200 K, where a structural phase transition from cubic to tetragonal symmetry occurs. The overall results are consistent with previous data that reported phonon softening and a (0.5, 0.5,…
The superconducting transition temperature (TC) in nanostructured Pb remains nearly constant as the particle size is reduced from 65 to 7nm, below which size the superconductivity is lost rather abruptly. In contrast, there is a large enhancement in the upper critical field (HC2) in the same size regime. We explore the origin of the unusual robustness of the TC over such a large particle size range in nanostructured Pb, by measuring the temperature dependence of the superconducting energy gap in planar tunnel junctions of Al/Al2O3/nano-Pb. We show that below 22nm, the electron phonon coupling …
The lattice dynamics of Ba1-xKxFe2As2 (x = 0.00, 0.27) have been studied by inelastic X-ray scattering measurement at room temperature. K doping induces the softening and broadening of phonon modes in the energy range E = 10-15 meV. Analysis with a Born-von Karman force-constant model indicates that the softening results from reduced interatomic force constants around (Ba,K) sites following the displacement of divalent Ba by monovalent K. The phonon broadening may be explained by the local distortions induced by the K substitution. Extra phonon modes are observed around the wave vector q = (0.…
The self-organized dopant percolative filamentary model, entirely orbital in character (no fictive spins), explains chemical trends in superconductive transition temperatures Tc, assuming that Cooper pairs are formed near dopants because attractive electron-phonon interactions outweigh repulsive Coulomb interactions. According to rules previously used successfully for network glasses, the host networks are marginally stable mechanically. The high Tc's are caused by softening of the host network, enormously enhanced by large electron-phonon interactions at interlayer dopants for states near the…
Phonon softening is a ubiquitous phenomenon in condensed matter systems which is often associated with charge density wave (CDW) instabilities and anharmonicity. The interplay between phonon softening, CDW and superconductivity is a topic of intense debate. In this work, the effects of anomalous soft phonon instabilities on superconductivity are studied based on a recently developed theoretical framework that accounts for phonon damping and softening within the Migdal-Eliashberg theory. Model calculations show that the phonon softening in the form of a sharp dip in the phonon dispersion relati…
Unique Charge-density-wave Order and Fluctuation-induced Phonon Softening in the Optimally-doped Trilayer Cuprate Bi$_2$Sr$_2$Ca$_2$Cu$_3$O$_{10+δ}$
University of Hyogo（兵库大学）；National Institutes for Quantum Science and Technology (QST)（量子科学技术研究开发机构）；National Synchrotron Radiation Research Center（国家同步辐射研究中心）；Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University（东北大学先进物质多学科研究所）；University of Tokyo（东京大学）；National Institute of Advanced Industrial Science and Technology（产业技术综合研究所）
We performed temperature- and doping-dependent high-resolution Raman spectroscopy experiments on YBa$_2$Cu$_3$O$_{7-δ}$ to study $B$$_{\rm 1g}$ phonons. The temperature dependence of the real part of the phonon self-energy shows a distinct kink at $T=T_{\rm B1g}$ above $T$$_{\rm c}$ due to softening, in addition to the one due to the onset of the superconductivity. $T$$_{\rm B1g}$ is clearly different from the pseudogap temperature with a maximum in the underdoped region. The region between $T$$_{\rm B1g}$ and $T$$_{\rm c}$ resembles that of superconducting fluctuation or charge density wave o…
We report temperature dependence of low-energy phonons in magnetic nonsuperconducting TbNi2B2C single crystals measured by inelastic neutron scattering. We observed a low-temperature softening and broadening of two phonon branches, qualitatively similar to that previously reported for superconducting RNi2B2C (R= rare earth, Y) compounds. This result suggests that the superconductivity in TbNi2B2C compounds is absent not because of a weak electron-phonon coupling but as a result of pairbreaking due to magnetism.
We investigate the influence of a d-density wave (DDW) gap on the superconductivity-induced renormalization of phonon frequency and linewidth. The results are discussed with respect to Raman and inelastic neutron scattering experiments. It turns out that the DDW gap can enhance the range of frequencies for $q=0$ phonon softening depending on the underlying band structure. Moreover we show that an anisotropic 'd-wave' pseudogap can also contribute to the q-dependent linewidth broadening of the 340cm$^{-1}$ phonon in YBa$_2$Cu$_3$O$_7$.
A strong electron-phonon interaction arises from the modulation of the superexchange interaction by lattice vibrations. It is responsible for the softening of the half-breathing modes around (pm pi/a,0) and (0, pm pi/a) in the two-dimensional Brillouin zone, with a being the lattice constant of CuO_2 planes, as is studied in Phys. Rev. B70, 184514 (2004). Provided that antiferromagnetic spin fluctuations are developed around Q=(pm 3 pi/4a, pm pi/a) and (pm pi/a, pm 3 pi/4a), the electron-phonon interaction can also cause the softening of Cu-O bond stretching modes around 2Q, or around (pm pi/2…
The intriguing coexistence of the charge density wave (CDW) and superconductivity in SrPt$_2$As$_2$ and LaPt$_2$Si$_2$ has been investigated based on the {\it ab initio} density functional theory band structure and phonon calculations. We have found that the local split distortions Pt atoms in the [As-Pt-As] layers play an essential role in driving the five-fold supercell CDW instability as well as the phonon softening instability in SrPt$_2$As$_2$. By contrast, the CDW and phonon softening instabilities in LaPt$_2$Si$_2$ occur without split distortions of Pt atoms, indicating that the driving…
We develop a theory for light-induced superconductivity in underdoped cuprates in which the competing bond-density wave order is suppressed by driving phonons with light. Close to a bond-density wave instability in a system with a small Fermi surface, such as a fractionalized Fermi liquid, we show that the coupling of electrons to phonons is strongly enhanced at the bond-density wave ordering wavevectors, leading to a strong softening of phonons at these wavevectors. For a model of classical phonons with anharmonic couplings, we show that the combination of strong softening and driving can lea…
In this paper, we present a simple method to model the curvature activated phonon softening in a 2D superconducting layer. The superconducting transition temperature Tc in the case of a 2D rectangular sheet, a hollow cylinder and a hollow sphere of one coherence length thickness is calculated by the quantum mechanical electron-phonon scattering matrix, and a series of collective lattice vibrations in the surface state. We will show that being extremely thin in a flat rectangular shape is not enough to significantly enhance the Tc through phonon softening. However, if a curvature is added, Tc c…
We report the pressure and temperature dependence of the phonon density-of-states in superconducting Ca0.6Na0.4Fe2As2 (Tc=21 K) and the parent compound CaFe2As2, using inelastic neutron scattering. We observe no significant change in the phonon spectrum for Ca0.6Na0.4Fe2As2 at 295 K up to pressures of 5 kbar. The phonon spectrum for CaFe2As2 shows softening of the low-energy modes by about 1 meV when decreasing the temperature from 300 K to 180 K. There is no appreciable change in the phonon density of states across the structural and anti-ferromagnetic phase transition at 172 K. These results…
We report on first investigation of the lattice dynamics in the novel superconducting material Na$\_{0.35}$CoO$\_2$$\cdot$1.3H$\_2$O and the non-hydrated parent compound Na$\_{0.7}$CoO$\_2$ by inelastic x-ray scattering. The measured phonon dispersion along the $Γ-M$ direction show a marked softening with hole doping of two optical phonon branches close to the Brillouin zone boundary. The phonon spectra, dispersion, and softening are well reproduced by first-principle calculations. The calculations indicates that the soft branches are mainly composed of Co-vibration modes. The estimation of th…
We use inelastic neutron scattering to study the evolution of the generalized phonon density of states (GDOS) of the $n$-type high-$T_c$ superconductor Nd$_{2-x}$Ce$_x$CuO$_{4+δ}$ (NCCO), from the half-filled Mott-insulator ($x=0$) to the $T_c=24$ K superconductor ($x=0.15$). Upon doping the CuO$_2$ planes in Nd$_2$CuO$_{4+δ}$ (NCO) with electrons by Ce substitution, the most significant change in the GDOS is the softening of the highest phonon branches associated with the Cu-O bond stretching and out-of-plane oxygen vibration modes. However, the softening occurs within the first few percent o…
We report detailed measurements of temperature dependence and ab initio lattice dynamical calculations of the phonon density-of-states of two Sr based iron pnictide parent compounds; SrFe2As2 and SrFeAsF. Although both compounds undergo a magnetic as well as a tetragonal-to-orthorhombic structural phase transitions, no drastic change of their phonon spectra is found in the temperature range from 2 to 300 K.. In both the systems the Fe-As stretching modes at 32 meV react to the temperature change and shift towards higher energies with decreasing temperature. Furthermore, we found that in the an…
Phonon dynamics, charge response and the phonon density of states are calculated for the high-temperature superconductors HgBa$_{2}$CuO$_{4}$ and Bi$_{2}$Sr$_{2}$CuO$_{6}$ within a microscopic model for the electronic density response. The results are compared with previous calculations for La$_{2}$CuO$_{4}$ and Nd$_{2}$CuO$_{4}$. Our main focus is on the phononanomalies which are connected with the high-frequency oxygen bond-stretching modes (OBSM) found before in our calculations for $p$-doped La$_{2}$CuO$_{4}$ and $n$-doped Nd$_{2}$CuO$_{4}$. We investigate the question if the characteristi…
Lattice-charge coupling in a trilayer nickelate with intertwined density wave order
Argonne National Laboratory（阿贡国家实验室）；Institute of High Energy Physics, Chinese Academy of Sciences（中国科学院高能物理研究所）；Institute of Physics, Chinese Academy of Sciences（中国科学院物理研究所）；Brookhaven National Laboratory（布鲁克海文国家实验室）；Center for Computational Quantum Physics, Flatiron Institute（平顿研究院计算量子物理中心）；Arizona State University（亚利桑那州立大学）；Southeast University（东南大学）；Shandong University（山东大学）；Northwestern University（西北大学）
High-resolution ($ΔE$=1.3 meV) inelastic X-ray scattering (IXS) in optimally doped untwinned YBa$_2$Cu$_3$O$_{7-δ}$ single crystals show that the dispersion of transverse acoustic phonons in the a-direction remains linear with no softening due to bending modes in the long wavelength limit, down to q=0.02. The sound velocity is found to be 2700 +/- 70 m s$^{-1}$, in excellent agreement with ultrasound measurements, and unchanged upon cooling from room temperature to 98 K. These results rule out a strong coupling between bending dynamics of the CuO$_2$ planes and charge carriers in cuprates.
