We report inelastic x-ray scattering measurements of the temperature dependence of phonon dispersion in the prototypical charge-density-wave (CDW) compound 2H-NbSe2. Surprisingly, acoustic phonons soften to zero frequency and become overdamped over an extended region around the CDW wave vector. This extended phonon collapse is dramatically different from the sharp cusp in the phonon dispersion expected from Fermi surface nesting. Instead, our experiments, combined with ab initio calculations, show that it is the wave vector dependence of the electron-phonon coupling that drives the CDW formation in 2H-NbSe2 and determines its periodicity. This mechanism explains the so far enigmatic behavior of CDW in 2H-NbSe2 and may provide a new approach to other strongly correlated systems where electron-phonon coupling is important.
A theory of superconductivity in the iron-based materials requires an understanding of the phase diagram of the normal state. In these compounds, superconductivity emerges when stripe spin density wave (SDW) order is suppressed by doping, pressure or atomic disorder. This magnetic order is often pre-empted by nematic order, whose origin is yet to be resolved. One scenario is that nematic order is driven by orbital ordering of the iron 3d electrons that triggers stripe SDW order. Another is that magnetic interactions produce a spin-nematic phase, which then induces orbital order. Here we report the observation by neutron powder diffraction of an additional fourfold-symmetric phase in Ba 1 À x Na x Fe 2 As 2 close to the suppression of SDW order, which is consistent with the predictions of magnetically driven models of nematic order.
We report the results of a systematic investigation of the phase diagram of the iron-based superconductor, Ba 1-x K x Fe 2 As 2 , from x = 0 to x = 1.0 using high resolution neutron and x-ray diffraction and magnetization measurements. The polycrystalline samples were prepared with an estimated compositional variation of ∆x ≲ 0.01, allowing a more precise estimate of the phase boundaries than reported so far. At room temperature, Ba 1-x K x Fe 2 As 2 crystallizes in a tetragonal structure with the space group symmetry of I4/mmm, but at low doping, the samples undergo a coincident first-order structural and magnetic phase transition to an orthorhombic (O) structure with space group Fmmm and a striped antiferromagnet (AF) with space group F c mm'm'. The transition temperature falls from a maximum of 139 K in the undoped compound to 0 K at x = 0.252, with a critical exponent as a function of doping of 0.25(2) and 0.12(1) for the structural and magnetic order parameters, respectively. The onset of superconductivity occurs at a critical concentration of x = 0.130(3) and the superconducting transition temperature grows linearly with x until it crosses the AF/O phase boundary. Below this concentration, there is microscopic phase coexistence of the AF/O and superconducting order parameters, although a slight suppression of the AF/O order is evidence that the phases are competing. At higher doping, superconductivity has a maximum T c of 38 K at x = 0.4 falling to 3 K at x = 1.0. We discuss reasons for the suppression of the spin-density-wave order and the electron-hole asymmetry in the phase diagram.2
We report high-resolution inelastic x-ray measurements of the soft phonon mode in the chargedensity-wave compound TiSe2. We observe a complete softening of a transverse optic phonon at the L point, i.e. q = (0.5, 0, 0.5), at T ≈ TCDW . Renormalized phonon energies are observed over a large wavevector range (0.3, 0, 0.5) ≤ q ≤ (0.5, 0, 0.5). Detailed ab-initio calculations for the electronic and lattice dynamical properties of TiSe2 are in quantitative agreement with experimental frequencies for the phonon branch involving the soft mode. The observed broad range of renormalized phonon frequencies is directly related to a broad peak in the electronic susceptibility stabilizing the chargedensity-wave ordered state. Our analysis demonstrates that a conventional electron-phonon coupling mechanism can explain a structural instability and the charge-density-wave order in TiSe2 although other mechanisms might further boost the transition temperature.PACS numbers: 71.45. Lr, 63.20.kd, 63.20.dd, 63.20.dk The origin of charge-density-wave (CDW ) order, i.e., a periodic modulation of the electronic density, is a long-standing problem relevant to a number of important issues in condensed matter physics, such as the role of stripes in cuprates [1] and charge fluctuations in the colossal magnetoresistive manganites [2]. Chan and Heine derived the criterion for a stable CDW phase with a modulation wavevector q as [3]where η q is the electron-phonon coupling (EPC) matrix element associated with a mode at an unrenormalized energy of ω bare , χ q is the dielectric response of the conduction electrons, and U q and V q are their Coulomb and exchange interactions. Static CDW order typically is taken as a result of a divergent electronic susceptibility χ q due to nesting, i.e. parallel sheets of the Fermi surface (FS) separated by twice the Fermi wavevector 2k f . Electron-phonon coupling (EPC) is required to stabilize the structural distortion and, hence, an acoustic phonon mode at the CDW wavevector q CDW = 2k f softens to zero energy at the transition temperature T CDW [3,4]. However, when electronic probes reported only small and not well nested Fermi surfaces this scenario has been discarded for the prototypical CDW compound TiSe 2 [5][6][7].Alternative scenarios such as indirect or band-type Jahn-Teller effects [6][7][8] and, most prominently, exciton formation [5,9,10] are discussed in the theoretical as well as experimental literature. More recently, van Wezel et al. have invoked a model including exciton formation as well as EPC [11] and have shown that it can explain data from angle-resolved photoemission spectroscopy (ARPES) [12], formerly taken as evidence of an excitonic insulating phase in TiSe 2 [9]. Determining the origin of CDW formation in TiSe 2 is all the more important with respect to the nature of superconductivity, which emerges both as function of pressure [13] and Cu intercalation [14]. In particular, pressure induced superconductivity is expected to be closely linked to the nature of the parent CDW state.I...
A charge-density wave (CDW) state has a broken symmetry described by a complex order parameter with an amplitude and a phase. The conventional view, based on clean, weak-coupling systems, is that a finite amplitude and long-range phase coherence set in simultaneously at the CDW transition temperature Tcdw. Here we investigate, using photoemission, X-ray scattering and scanning tunnelling microscopy, the canonical CDW compound 2H-NbSe2 intercalated with Mn and Co, and show that the conventional view is untenable. We find that, either at high temperature or at large intercalation, CDW order becomes short-ranged with a well-defined amplitude, which has impacts on the electronic dispersion, giving rise to an energy gap. The phase transition at Tcdw marks the onset of long-range order with global phase coherence, leading to sharp electronic excitations. Our observations emphasize the importance of phase fluctuations in strongly coupled CDW systems and provide insights into the significance of phase incoherence in ‘pseudogap’ states.
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