We investigate the properties of BaNi$_2$As$_2$ using first principles calculations. The band structure has a similar shape to that of the BaFe$_2$As$_2$, and in particular shows a pseudogap between a manifold of six heavy $d$ electron bands and four lighter $d$ bands, i.e. at an electron count of six $d$ electrons per Ni. However, unlike BaFe$_2$As$_2$, where the Fermi energy occurs at the bottom of the pseudogap, the two additional electrons per Ni in the Ni compound place the Fermi energy in the upper manifold. Thus BaNi$_2$As$_2$ has large Fermi surfaces very distinct from BaFe$_2$As$_2$. Results for the phonon spectrum and electron-phonon coupling are consistent with a classification of this material as a conventional phonon mediated superconductor although spin fluctuations and nearness to magnetism may be anticipated based on the value of $N(E_F)$.
The physical properties and structural evolution of the 122-type solid solution BaNi2(Ge1-xPx)2 are reported. The in-plane X-X (X = Ge1-xPx) dimer formation present in the end member BaNi2Ge2, which results in a structural transition to orthorhombic symmetry, is completely suppressed to zero temperature on P substitution near x = 0.7, and a dome-shape superconducting phase with a maximum Tc = 2.9 K emerges. Clear indications of phonon softening and enhanced electron-phonon coupling are observed at the composition of the structural instability. Our findings show that dimer breaking offers new p…
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 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(…
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…
A detailed investigation of BaNi2(As,P)2 single crystals using high-resolution thermal-expansion, heat-capacity,Young-modulus and resistivity measurements is presented. The experimental data are complemented by density-functional calculations. The phase diagram of BaNi2(As,P)2 is shown to be much richer than suggested by the original data of Kudo et al. [Phys. Rev. Lett. 109, 097002 (2012)]. The transition to the commensurate charge-density-wave (C-CDW) is always preceded by a four-fold symmetry-breaking transition associated with the long-range ordering of a strongly fluctuating unidirectiona…
We have performed low-temperature specific heat $C$ and thermal conductivity $κ$ measurements on the Ni-pnictide superconductors BaNi$_2$As$_2$ ($T_\mathrm{c}$=0.7 K and SrNi$_2$P$_2$ ($T_\mathrm{c}$=1.4 K). The temperature dependences $C(T)$ and $κ(T)$ of the two compounds are similar to the results of a number of s-wave superconductors. Furthermore, the concave field responses of the residual $κ$ for BaNi$_2$As$_2$ rules out the presence of nodes on the Fermi surfaces. We postulate that fully gapped superconductivity could be universal for Ni-pnictide superconductors. Specific heat data on B…
We use diffuse and inelastic x-ray scattering to study the formation of an incommensurate charge-density-wave (I-CDW) in BaNi$_2$As$_2$, a candidate system for charge-driven electronic nematicity. Intense diffuse scattering is observed around the modulation vector of the I-CDW, $Q_{I-CDW}$. It is already visible at room temperature and collapses into superstructure reflections in the long-range ordered state where a small orthorhombic distortion occurs. A clear dip in the dispersion of a low-energy transverse optical phonon mode is observed around $Q_{I-CDW}$. The phonon continuously softens u…
BaNi$_{2}$As$_{2}$ is a non-magnetic analogue of BaFe$_{2}$As$_{2}$, the parent compound of a prototype pnictide high-temperature superconductor, displaying superconductivity already at ambient pressure. Recent diffraction studies demonstrated the existence of two types of periodic lattice distortions above and below the triclinic phase transition, suggesting the existence of an unconventional charge-density-wave (CDW) order. The suppression of CDW order upon doping results in a sixfold increase in the superconducting transition temperature and enhanced nematic fluctuations, suggesting CDW is …
The effects of Co-substitution on Ba(Ni$_{1-x}$Co$_x$)$_2$As$_2$ ($0\leq x\leq 0.251$) single crystals grown out of Pb flux are investigated via transport, magnetic, and thermodynamic measurements. BaNi$_2$As$_2$ exhibits a first order tetragonal to triclinic structural phase transition at $T_s=137 K$ upon cooling, and enters a superconducting phase below $T_c=0.7 K$. The structural phase transition is sensitive to cobalt content and is suppressed completely by $x\geq0.133$. The superconducting critical temperature, $T_c$, increases continuously with $x$, reaching a maximum of $T_c=2.3 K$ at t…
We report first principles calculations of the electronic structure, phonon dispersions and electron phonon coupling of LaNiPO. These calculations show that this material can be explained as a conventional electron phonon superconductor in contrast to the FeAs based high temperature superconductors.
In this chapter we review the essentials of conventional electron-phonon superconductivity, as provided through the Migdal-Eliashberg formalism. Signatures of the electron-phonon interaction, as they appear in conventional superconductors, are described in detail. An appendix briefly describes more recent attempts to understand the electron-phonon interaction for all coupling strengths.
Breaking down the traditional perception on phonons which are achiral, the recent discovery of chiral phonon carrying angular momentum provides possible ways to couple electron, photon, spin, magnon and exciton, etc. We theoretically proposed an electron-chiral phonon interaction with two-phonon process, in contrast to conventional electron-phonon interaction, and a kind of effective Hubbard U through exchanging two chiral phonons is proposed. Taking two-dimensional diatomic honeycomb lattice as an example, we found this repulsive Hubbard U mediated by chiral phonons induces unconventional and…
I present the results of first principles calculations of the phonon dispersions and electron-phonon coupling for BaTi$_2$Sb$_2$O. The phonon dispersions show a weak lattice instability near the zone corners that leads to a charge-density wave phase. The calculations of the electron-phonon coupling reveal strong coupling, especially to the in-plane Ti modes. The total coupling is large enough to readily explain the superconductivity in this compound. As the Fermi surfaces are disconnected with different orbital character weights, this compound is likely to host a multiband superconductivity.
To study the possible mechanism of superconductivity in Na$_{0.35}$CoO$_2$, we examine the interaction between all the relevant optical phonons (breathing and shear phonons) and $t_{2g}(a_{1g}+e_g')$-electrons of Co-ions, and study the transition temperature for a s-wave superconductivity. The obtained $T_{\rm c}$ is very low when the $e_g'$-valence-bands are far below the Fermi level. However, $T_{\rm c}$ is strongly enhanced when the top of the $e_g'$-valence-bands is close to the Fermi level (say -50meV), thanks to interband hopping of Cooper pairs caused by shear phonons. This ``valence-ba…
Insight into why superconductivity in pristine and doped monolayer graphene seems strongly suppressed has been central for the recent years' various creative approaches to realize superconductivity in graphene and graphene-like systems. We provide further insight by studying electron-phonon coupling and superconductivity in doped monolayer graphene and hexagonal boron nitride based on intrinsic phonon modes. Solving the graphene gap equation using a detailed model for the effective attraction based on electron tight binding and phonon force constant models, the various system parameters can be…
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$_7$.
We predict that electron-doped silicene is a good two-dimensional electron-phonon superconductor under biaxial tensile strain by first-principles calculations within rigid band approximation. Superconductivity transition temperature of electron-doped silicene can be increased to be above 10 K by 5% tensile strain. Band structures, phonon dispersive relations, and Eliashberg functions are calculated for detailed analysis. The strong interaction between acoustic phonon modes normal to the silicene plane and the increasing electronic states around the Fermi level induced by tensile strain is main…
K$_3$-picene is a superconducting molecular crystal with critical temperature T$_c=7$K or 18K, depending on preparation conditions. Using density functional theory we show that electron-phonon interaction accounts for T$_c ~ 3-8$ K. The average electron-phonon coupling, calculated by including the phonon energy scale in the electron-phonon scattering, is $λ=0.73$ and $ω_{\rm log}=18.0\,$ meV. Intercalant and intermolecular phonon-modes contribute substantially (40%) to $λ$ as also shown by the isotope exponents of potassium (0.19) and carbon (0.31). The relevance of these modes makes supercond…
We investigate the role of specific phonon mode symmetries for the room temperature superconductivity in atomic hydrogen under large pressure. Using anisotropic Migdal-Eliashberg theory with ab initio input from density functional theory, we show that the $E_u$ phonon modes are the dominant driving force for obtaining such high critical temperatures. When going from 400 to 600 GPa, we find an increased transition temperature, however, the total electron-phonon coupling strength is counterintuitively reduced. Our analysis reveals that this is due to an enhanced contribution to the coupling stre…
The out-of-plane intercalate phonons of superconducting YbC6 have been measured with inelastic x-ray scattering. Model fits to this data, and previously measured out-of-plane intercalate phonons in graphite intercalation compounds (GICs), reveal surprising trends with the superconducting transition temperature. These trends suggest that superconducting GICs should be viewed as electron-doped graphite.
We argue that Raman scattering in $B_{1g}$ symmetry allows one to distinguish between phonon-mediated and magnetically-mediated $d-$wave superconductivity. In spin mediated superconductors, $B_{1g}$ Raman intensity develops a resonance at a frequency $ω_{res} < 2Δ_{max}$, whose origin is similar to a neutron resonance. In phonon-mediated $d-$wave superconductors, such a resonance does not develop. Several extensions of the argument are presented.
We observe a characteristic energy $\hbarω_{c}\approx 2.1$ eV which separates regions of different behavior of the phonon intensities in the Raman spectra of the $R\rm Ba_2Cu_3O_7$ system. A superconductivity-induced drop of phonon intensities is found for the oxygen modes O(4) and O(2)-O(3) only for excitation energies below $\hbarω_c$. This intensity drop indicates an order parameter which affects energies in the vicinity of $\hbarω_c$.
In strontium titanate, the Froehlich electron - LO-phonon interaction dominates the electron response and can also provide superconductivity. Because of high LO-phonon frequencies in SrTiO3, the superconducting system is non-adiabatic. We demonstrate that the dielectric function approach is an adequate theoretical method for superconductivity in SrTiO3 and on the SrTiO3-LaAlO3 interface. The critical temperatures are calculated using realistic material parameters. The obtained critical temperatures are in line with experimental data both for bulk and interface superconductivity. The present me…
Electron pairing by dispersive phonons in altermagnets: re-entrant superconductivity and continuous transition to finite momentum superconducting state
研究交错磁体中色散声子介导的电子配对，发现热声子散射抑制交错磁性，导致超导电性随温度重入，并在低温稳定 FFLO 有限动量超导态，无需 d 波配对。
We report a detailed study of specific heat, electrical resistivity and thermal expansion in combination with inelastic neutron and inelastic X-ray scattering to investigate the origin of superconductivity in the two silicon clathrate superconductors Ba8Si46 and Ba24Si100. Both compounds have a similar structure based on encaged barium atoms in oversized silicon cages. However, the transition temperatures are rather different: 8 K and 1.5 K respectively. By extracting the superconducting properties, phonon density of states, electron-phonon coupling function and phonon anharmonicity from these…
The effective attractive interaction between electrons, mediated by electron-phonon coupling, is a well-established mechanism of conventional superconductivity. In metals exhibiting a Fermi surface, the critical temperature of superconductivity is exponentially smaller than the characteristic phonon energy. Therefore such superconductors are found only at temperatures below a few Kelvin. Systems with flat energy bands have been suggested to cure the problem and provide a route to room-temperature superconductivity, but previous studies are limited to only BCS models with an effective attractiv…
Theory of superconductivity generated in one atomic layer thick two dimensional electron gas by a single flat band of high energy longitudinal optical phonons is considered. The polar dielectric $SrTiO_{3}$ (STO) exhibits such an energetic phonon mode and the 2DEG is created both when one unit cell $FeSe$ layer is grown on its $\left( 100\right) $ surface and on the interface with another dielectric like $LaAlO_{3}$ (LAO). We obtain a quantitative description of both systems solving the gap equation for $T_{c}$ without making use of approximations like the Kirzhnits Ansatz for arbitrary chemic…
Superconductivity mediated by phonons is typically conventional, exhibiting a momentum-independent s-wave pairing function, due to the isotropic interactions between electrons and phonons along different crystalline directions. Here, by performing inelastic neutron scattering measurements on a superconducting single crystal of Sr0.1Bi2Se3, a prime candidate for realizing topological superconductivity by doping the topological insulator Bi2Se3, we find that there exist highly anisotropic phonons, with the linewidths of the acoustic phonons increasing substantially at long wavelengths, but only …
Eliashberg's foundational theory of superconductivity is based on the application of Migdal's approximation, which states that vertex corrections to first order electron-phonon scattering are negligible if the ratio between phonon and electron energy scales is small. The resulting theory incorporates the first Feynman diagrams for electron and phonon self-energies. However, the latter is most commonly neglected in numerical analyses. Here we provide an extensive study of full-bandwidth Eliashberg theory in two and three dimensions, where we include the full back reaction of electrons onto the …
We suggest that the high-temperature superconductivity is attributed to the director-roles of van Hove singularity between electron-electron interaction and electron-phonon interaction. Difference between the critical temperature and pairing temperature is presented, and the Fermi arc, d-wave symmetry and poor conductor etc are discussed. Particularly, non-s-wave symmetry is predicted to have the highest Tc for superconductors.
Density functional theory (DFT) based ab-initio calculations of electronic, phononic, and superconducting properties of 1T MoS2 are reported. The phonon dispersions are computed within density-functional-perturbation-theory (DFPT). We have also computed Eliashberg function alpha2Fomega and electron-phonon coupling constant lambda from the same. The superconducting transition temperature (Tc) computed within the McMillan-Allen-Dynes formula is found in good agreement with the recent experimental report. We have also evaluated the effect of pressure on the superconducting behavior of this system…
Emergence of superconductivity in a two-band system coupled with breathing and Jahn-Teller phonons is discussed in a weak-coupling limit. With the use of a standard quantum mechanical procedure, the phonon-mediated attraction is derived. From the analysis of the model including such attraction, a BCS-like formula for a superconducting transition temperature $T_{\rm c}$ is obtained. When only the breathing phonon is considered, $T_{\rm c}$ is the same as that of the one-band model. On the other hand, when Jahn-Teller phonons are active, $T_{\rm c}$ is significantly enhanced by the interband att…
We predict a strong enhancement of the critical temperature in a conventional Bardeen-Cooper-Schrieffer (BCS) superconductor in the presence of a bosonic condensate of exciton-polaritons. The effect depends strongly on the ratio of the cutoff frequencies for phonon and exciton-polariton mediated BCS superconductivity, respectively. We also discuss a possible design of hybrid semiconductor-superconductor structures suitable for the experimental observation of such an effect.
Density-functional calculations of the phonon spectrum and electron-phonon coupling in MgB$_2$ are presented. The $E_{2g}$ phonons, which involve in-plane B displacements, couple strongly to the $p_{x,y}$ electronic bands. The isotropic electron-phonon coupling constant is calculated to be about 0.8. Allowing for different order parameters in different bands, the superconducting $λ$ in the clean limit is calculated to be significantly larger. The $E_{2g}$ phonons are strongly anharmonic, and the non-linear contribution to the coupling between the $E_{2g}$ modes and the p$_{x,y}$ bands is signi…
Superconductivity-induced changes of phonon lineshapes in niobium have been re-investigated by high-resolution inelastic neutron scattering. We show that the changes go beyond a simple change in lifetime and frequency when the phonon frequency is close to the superconducting energy gap $2Δ$. The observed lineshapes in elemental niobium are qualitatively similar to those found previously in borocarbide superconductors and agree very well with those predicted by the theory of Allen et al. [PRB 56, 5552 (1997)]. Our results indicate that the peculiar phonon lineshapes in the superconducting state…
Understanding the organizing principles of interacting electrons and the emergence of novel electronic phases is a central endeavor of condensed matter physics. Electronic nematicity, in which the discrete rotational symmetry in the electron fluid is broken while the translational one remains unaffected, is a prominent example of such a phase. It has proven ubiquitous in correlated electron systems, and is of prime importance to understand Fe-based superconductors. Here, we find that fluctuations of such broken symmetry are exceptionally strong over an extended temperature range above phase tr…
Inelastic x-ray scattering and $ab$-$initio$ calculation are applied to investigate the lattice dynamics and electron-phonon coupling of the ternary silicide superconductor CaAlSi ($P/bar{6}m2$). A soft c-axis polarized mode is clearly observed along the $/Gamma$-$A$-$L$ symmetry directions. The soft mode is strongly anharmonically broadened at room temperature, but, at 10 K, its linewidth narrows and becomes in good agreement with calculations of linear electron-phonon coupling. This establishes a coherent description of the detailed phonon properties in this system and links them clearly and…
Recent experiments have tuned the monolayer 1T'-WTe2 to be superconducting by electrostatic gating. Here, we theoretically study the phonon-mediated superconductivity in monolayer 1T'-WTe2 via charge doping. We reveal that the emergence of soft-mode phonons with specific momentum is crucial to give rise to the superconductivity in electron-doping regime, whereas no such soft-mode phonons and no superconductivity emerge in hole-doping regime. We also find a superconducting dome, which can be attributed to the change of Fermi surface nesting condition as electron doping. By taking into account t…
Effect of tetragonal distortion on the electronic structure, dynamical properties and superconductivity in Mo$_3$Sb$_7$ is analyzed using first principles electronic structure and phonon calculations. Rigid muffin tin approximation (RMTA) and McMillan formulas are used to calculate the electron-phonon coupling constant $λ$ and superconducting critical temperature. Our results show, that tetragonal distortion has small, but beneficial effect on superconductivity, slightly increasing $λ$, and the conclusion that the electron-phonon mechanism is responsible for the superconductivity in Mo$_3$Sb$_…
We report first principles calculations of the electronic structure and electron-phonon coupling in the non-centrosymmetric superconductor LaNiC$_2$. These show that the material is a conventional electron-phonon superconductor with intermediate coupling. There are large contributions to the coupling by two low frequency C non-bond-stretching modes, one of which has strong Kohn anomalies. Since LaNiC$_2$ lacks inversion symmetry, the pairing is of dominant s-wave type with some mixture of p-wave character. This will give exponential decay in the specific heat.
The influence of antiadiabatic phonons on the temperature of superconducting transition is considered within Eliashberg - McMillan approach in the model of discrete set of (optical) phonon frequencies. A general expression for superconducting transition temperature $T_c$ is proposed, which is valid in situation, when one (or several) of such phonons becomes antiadiabatic. We study the contribution of such phonons into the Coulomb pseudopotential $μ^{\star}$. It is shown, that antiadiabatic phonons do not contribute to Tolmachev's logarithm and its value is determined by partial contributions f…
We applied $ab$ $initio$ phonon analysis to layered titanium-oxypnictides, Na$_2$Ti$_2Pn_2$O ($Pn$ = As, Sb), and found a clear contrast between the cases with lighter/heavier pnictogen in comparisons with experiments. The result completely explains the experimental structure, $C$2/$m$ for $Pn$ = As, within the conventional electron-phonon framework, while there arise discrepancies when the pnictogen gets heavier, being in the same trend for the BaTi$_2Pn_2$O ($Pn$ = As, Sb, Bi) case. The fact implies a systematic dependence on pnictogen to tune the mechanism of the phase transition and superc…
We propose a theory of strong spin-lattice and spin-phonon coupling in iron pnictides and discuss its implications on superconductivity. Strong magneto-volume effect in iron compounds has long been known as the Invar effect. Fe pnictides also exhibit this effect, reflected in particular to the atomic volume of Fe defined by the nearest neighbor atoms. Through the phenomenological Landau theory, developed on the basis of the calculations by the density functional theory (DFT) and the experimental results, we quantify the strength of the spin-lattice interaction as it relates to the Stoner crite…
Unconventional superconductivity is commonly linked to electronic pairing mechanisms, since it is believed that the conventional electron-phonon interaction (EPI) cannot cause sign-changing superconducting gap symmetries. Here, we show that this common understanding needs to be revised when one considers a more elaborate theory of electron-phonon superconductivity beyond standard approximations. We selfconsistently solve the full-bandwidth, anisotropic Eliashberg equations including vertex corrections beyond Migdal's approximation assuming the usual isotropic EPI for cuprate, Fe-based and heav…
We study the impact of a time-dependent external driving of the lattice phonons in a minimal model of a BCS superconductor. Upon evaluating the driving-induced vertex corrections of the phonon-mediated electron-electron interaction, we show that parametric phonon driving can be used to elevate the critical temperature $T_c$, while a dipolar phonon drive has no effect. We provide simple analytic expressions for the enhancement factor of $T_c$. Furthermore, a mean-field analysis of a nonlinear phonon-phonon interaction also shows that phonon anharmonicities further amplify $T_c$. Our results hol…
We present a theory of phonon-mediated superconductivity in near magic angle twisted bilayer graphene. Using a microscopic model for phonon coupling to moiré band electrons, we find that phonons generate attractive interactions in both $s$ and $d$ wave pairing channels and that the attraction is strong enough to explain the experimental superconducting transition temperatures. Before including Coulomb repulsion, the $s$-wave channel is more favorable; however, on-site Coulomb repulsion can suppress $s$-wave pairing relative to $d$-wave. The pair amplitude varies spatially with the moiré period…
The specific heat of two polymorphs of BaPd2As2 was measured. The ThCr2Si2-type polymorph (space group I4/mmm, $D_{4h}^{17}$, No. 139) is a previously reported superconductor with a transition temperature Tc $\simeq$ 3.5 K, while the CeMg2Si2-type polymorph (P4/mmm, $D_{4h}^{1}$, No. 123) is a normal metal and does not exhibit superconductivity down to 1.8 K. Our results revealed that the ThCr2Si2-type has an anomalously low Debye temperature, indicative of soft phonons, compared to the CeMg2Si2-type. Moreover, a large specific-heat jump at Tc indicated that the superconductivity of ThCr2Si2-t…
Interfacial phonons between iron-based superconductors (FeSCs) and perovskite substrates have received considerable attention due to the possibility of enhancing preexisting superconductivity. Using scanning tunneling spectroscopy, we studied the correlation between superconductivity and e-ph interaction with interfacial-phonons in an iron-based superconductor Sr$_2$VO$_3$FeAs ($T_c \approx$ 33 K) made of alternating FeSC and oxide layers. The quasiparticle interference measurement over regions with systematically different average superconducting gaps due to the e-ph coupling locally modulate…
We investigate the dynamics of a phonon-mediated superconductor driven out of equilibrium. The electronic hopping amplitude is ramped down in time, resulting in an increased electronic density of states. The dynamics of the coupled electron-phonon model is investigated by solving Migdal-Eliashberg equations for the double-time Keldysh Green's functions. The increase of the density of states near the Fermi level leads to an enhancement of superconductivity when the system thermalizes to the new state at the same temperature. We provide a time- and momentum-resolved view on this thermalization p…
I study the lattice dynamics and electron-phonon coupling in non-centrosymmetric quasi-one-dimensional K$_2$Cr$_3$As$_3$ using density functional theory based first principles calculations. The phonon dispersions show stable phonons without any soft-mode behavior. They also exhibit features that point to a strong interaction of K atoms with the lattice. I find that the calculated Eliashberg spectral function shows a large enhancement around 50 cm$^{-1}$. The phonon modes that show large coupling involve in-plane motions of all three species of atoms. The $\mathbf{q}$ dependent electron-phonon …
We have evaluated the total carrier mass enhancement factor f_{t} for MgB_{2} from two independent experiments (specific heat and upper critical field). These experiments consistently show that f_{t} = 3.1\pm0.1. The unusually large f_{t} is incompatible with the measured reduced gap (2Δ(0)/k_{B}T_{c} = 4.1) and the total isotope-effect exponent (α= 0.28\pm0.04) within the conventional phonon-mediated model. We propose an unconventional phonon-mediated mechanism, which is able to quantitatively explain the values of T_{c}, f_{t}, α, and the reduced energy gap in a consistent way.
