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Conserving many body approach to the fully screened, infinite U Anderson model. Eran Lebanon1, Jerome Rech1,2, P. Coleman1 and Olivier Parcollet2 1 Center for Materials Theory, Serin Physics Laboratory, Rutgers University, Piscataway, New Jersey 08854-8019, USA. 2 Service de Physique Th´eorique, CEA/DSM/SPhT - CNRS/SPM/URA 2306 CEA/Saclay, F-91191 Gif-sur-Yvette Cedex, FRANCE 6 Using a Luttinger Ward scheme for interacting gauge particles, we present a conserving many 0 body treatment of a family of fully screened infinite U Anderson models that has a smooth cross- 0 over into the Fermi liquid state, with a finite scattering phase shift at zero temperature and a 2 Wilson ratio greater than one. We illustrate our method, computing the temperature dependence ofthethermodynamics,resistivityandelectron dephasingrateanddiscussitsfutureapplication to n non-equilibrium quantumdots and quantumcritical mixed valent systems. a J PACSnumbers: 73.23.-b,72.15.Qm,72.10.Fk 2 ] l The infinite U Anderson model is a centralelement in OurstartingpointisaSchwingerbosonrepresentation e the theory of magnetic moments, in their diverse man- for the SU(N) infinite U Anderson model. Schwinger - r ifestations within antiferromagnets, heavy electron sys- bosonscanbeusedtodescribemagneticallyorderedlocal t s tems and quantum dots. While the underlying physics moments, and in the limit of large N, this description . t ofthe Andersonimpurity modeliswellunderstood,with becomesexact[8]. Recentprogress[9,10]hasshownhow a a wide variety of theoretical techniques available for its this scheme can be expanded to encompass the Fermi m description[1],therearemanynewrealmsofphysicsthat liquid physics of the Kondo effect. through the study - d relateto it,suchasquantumcriticalmixedvalent[2]and of a family of “multichannel” Kondo model, in which n heavy fermion materials[3] or voltage biased quantum the number of channels K commensurate with n = 2S, b o dots[4]whereourtoolsandunderstandingofequilibrium (K =2S), where S is the spin of the local moment. The c impurity physics are inadequate. corresponding infinite U Anderson model is [ These considerations motivate us to seek new theo- 1 retical tools with the flexibility to explore the physics = ǫ c† c + V c† χ†b +H.c 5v of the Anderson model in a lattice and non-equilibrium H ~Xkνα ~k ~kνα ~kνα √N ~Xkναh ~kνα ν α i 1 environment. One of the well-established tools of many + ǫ b†b λ(Q 2S). (1) 0 bodyphysicsistheLuttingerWard(LW)scheme[5]. This 0 σ σ− − 1 scheme permits a systematic construction of many-body Xσ 0 6 approximations which preserve important interrelation- Herec† createsa conductionelectronwithmomentum ships between physical variables, such as the Luttinger ~kνα 0 ~k, channel index ν [1,K], and spin index α [1,N]. / sum rule, or the Korringa relationship between spin re- ∈ ∈ t The bilinear product b†χ between a Schwinger boson a laxationand spinsusceptibility, thatare implied by con- α ν m servationlaws. RecentworkontheapplicationoftheLW b†α, and a slave fermion (or holon) operator χν creates a localizedelectronintheconstrainedHilbertspace,which - scheme to gauge theories[6, 7] provides new insight into d hybridizes with the conduction electrons. The √N de- how such conserving approximations can be extended to n nominator in the hybridization ensures a well-defined encompass Fermi liquids in which ultra-strong interac- o large N limit. The energy of a singly occupied impu- c tions are replaced by constraints on the Hilbert space. rity ǫ is taken to be negative. The conserved operator : 0 v Inthispaperweshowhowtheseinsightscanbeapplied Q = b†b + χ†χ replaces the no-double occu- i to the infinite U Andersonmodel to obtaina description α α α ν ν X pancyPconstraintoPftheinfiniteU Andersonmodel,where ofthesmoothcross-overfromlocalmomenttoFermiliq- Q=2S =K is required for perfect screening. r a uidbehavior,inwhichtheimportantconservingrelation- The characteristic “Kondo scale” of our model is shipsbetweenthephysicalpropertiesoftheground-state, such as the Friedel sum rule and the Yamada-Yosida Γ K/N π ǫ 0 T =D exp | | , (2) relationships between susceptibilities and specific heat, K (cid:18)πD(cid:19) (cid:26)− Γ (cid:27) are preserved without approximation. Our method is scalable to a lattice, and can also be extended to non- where D is the conduction electron half bandwidth, Γ= equilibrium settings. To demonstrate the method we πρV2 is the hybridization width and ρ is the conduction compute the temperature dependent thermodynamics, electron density of states. This relationship follows from resistivity and electron dephasing rate in a single impu- general leading logarithmic scaling of the model. The ritymodel,anddiscusshowthemethodcanbeextended non-trivial prefactor in the Kondo temperature depends to encompass a non-equilibrium environment. on the third order terms in the beta function. 2 The next step is to constructthe LW functional Y[G]. O(N) O(1) O(1/N) The variation of Y[G] with respect to the full Green’s Y[G] = + + +... + +... +... functions G of the conduction, Schwinger boson and ζ (a) slave fermion fields, Σ = δY/δG , self-consistently de- ζ ζ 0.4 termines the self-energiesΣ ofthese fields[6, 7]. Y[G] is eFqeuyanlmtaonthdeiasgurmamofs,agllrtowuop-epdζairntipcloewirerresdoufc1ib/Nlef(rFeeige.1n(ear)g)y. δπ/c00..23 m{G}|b In our procedure we neglect all but the leading order 0.1 |I 0 O(N) term in the LW functional, and then impose the 0.1 0.2 0.3 −1 0 1 full self-consistency generated by this functional. (b) 1/N (c) ε/TK In the formal large N limit, the conduction electron self-energy is of order O(1/N), and at first sight, should FIG. 1: (a)LW functional grouped in powers of 1/N. Solid line - Schwinger bosons, dashed lines - holons, double lines - be neglected. However, the effects of these terms on the conductionelectrons. LoopscontributeO(N),vertices1/√N. free energy are enhanced by the number of channels K (b) Circles: phase shifts extracted from the calculated t- and spin components N, to give a leading order O(N) matrices, for K = 1, nχ 0.04. Solid line stands for contributiontothefreeenergy: itispreciselytheseterms (K nχ)/(NK), dashed line≈shows the phase shift without − that produce the Fermi liquid behavior[10]. The com- imposingselfconsistencyontheconductionelectronpropaga- plex issue of exactly when the conduction electron self- tors. (c)Thebosonspectrumisgappedatlowtemperatures. energiesshouldbeincludedisnaturallyresolvedbyusing the leading order LW functional, subsequently treating modelto nowbe extendedtoinfiniteU. Moreover,these 1/N as a finite parameter,using the conductionelectron relationships are all satisfied by the use of the leading self-energiesinsidetheself-consistencyrelations. Theex- LW functional. plicit expressions for the self-energies are then There are many important conserving relationships Σ (τ) = V2G (τ)G ( τ) that are preserved, provided the spinons and holons de- χ b c − Σ (τ) = (K/N)V2G (τ)G (τ) velopagap. The firstofthese is the Friedelsumrule (or b χ c − inthelattice,theLuttingersumrule),accordingtowhich Σ (τ) = (1/N) V2G (τ)G ( τ) (3) c b χ − the sum of the conduction electron phase shifts must be equal to the total charge K n on the impurity, whith where Gb, Gχ and Gc are the fully dressed imaginary n as the ground-state holon−ocχcupancy, so time Green’s functions of the boson, holon and conduc- χ tion electrons respectively. Equations (3) are solved self π K n T χ K consistently,adjustingthechemicalpotentialλtosatisfy δc = − +O , (4) N K (cid:18) D (cid:19) the averagedconstraint Q =K. h i A key step in the derivation of the Ward identities is Fig. 1. contrasts the dependence of phase shift obtained the presence of a scale in the excitationspectrum, which from the t-matrix in our conserving scheme, with that manifests itself mathematically in our ability to replace obtainedusingΣ fromtheleadingorder1/N expansion. c Matsubarasummationsbyintegralsatlowtemperatures: The relationship (4) is obeyed at each value of N in our approximation. dω T ThequasiparticlespectrumintheFermiliquidground- →Z 2π Xiωn state is intimately related to the conduction electron phase shifts via Nozi´eres Fermi liquid theory[17]. The This transformation is the key to derivations of the changeinthe scatteringphaseshiftinresponsetoanap- Friedel sum rule, the Yamada-Yosida and Shiba rela- plied field, or a change in chemical potential, is directly tionships between susceptibilities, specific heat and spin related to the spin, charge and channel susceptibilities, relaxation rates[12, 13, 14]. There is long history of which in turn, leads to a generalized “Yamada-Yosida attempts to develop conserving approximations to the identity”,distributingtheNK degreesoffreedomamong infinite U Anderson model [15, 16], but each has been the spin, flavor and charge sectors: thwartedbythedevelopmentofscale-invariantX-raysin- gularitiesinthe gaugeorslaveparticlespectra forwhich γ N2 1χ K2 1χ χ s f c NK =K − +N − + . (5) the above replacement is illegal. In the multi-channel γ0 N +K χ0 K +N χ0 χ0 s f c approach,the gauge particles - the formation of a stable Kondo singlet when 2S =K leads to the formation of a Here γ stands for the specific heat coefficient γ = C/T, gap in the spinon and holon spectrum [see Fig. 1(c)], and χ , χ and χ stand for the spin, flavor and charge s f c which permits a Fermi liquid spectrum to develop at susceptibilities. χ0 denotes the corresponding suscep- s,f,c lower energies. This feature permits all of the manip- tibilities in the absence of the impurity. Our identity (5) ulations previously carried out on the finite U Anderson reduces to the known results for the Wilson ratio in the 3 0.15 0.4 2 1 mp 0.2 )} Si 1 η 0.5 +i 0.1 0 ε 0 0 0.05 0.1 m{t( 0 ρ I −0.005 0 0.005 π 0.05 χ − K 1 T 0 0 −0.4 −0.2 0 0.1 1 10 100 1000 ε/D T/T K FIG. 3: t-matrix for ǫ0/D = 0.2783, Γ/D = 0.16, N = 4 FIG. 2: Upper pannel: The impurity contribution to the − and K = 1 (TK/D = 0.002). Main frame: T/D=0.1, 0.08, entropy vs. temperature. Inset: at low temperatures the en- 0.06, 0.04, 0.02, and 0.01. Inset: T/10−4D=10, 8, 6, 4, 2, 1, tropybecomeslinearandγsaturates. Lowerpannel: impurity and 0.5. The dot marks sin2 π(K nχ)/NK susceptibility vs. temperature. For parameters see Fig.3. { − } self-consistency in a small magnetic field[11]. Figure (2) onechannelmodel[13]andtheKondolimit[18]. Sinceour shows the impurity susceptibility χ(T). The susceptibil- scheme preserves the Friedel sum rule for each channel, ity is peaked slightly below the Kondo temperature and it automatically satisfies this relationship. saturates to a constant at a lower temperature. Various thermodynamic quantities can be extracted One of the important conservation laws associated from the numerical solution of the self-consistency equa- tions. The development of a fully quenched Fermi liquid with the conservation of spin, is the Korringa Shiba re- lation between the dynamical and static spin suscepti- state is succinctly demonstrated by calculating the en- bility. On the assumption that the gauge particles are tropy, using a formula of Coleman, Paul and Rech[7] gapped, the LW derivation carried out by Shiba on the S = Tr dǫdnζ Imln G−1 +G′Σ′′ , (6) finite U Anderson model, some thirty years ago, can − ζZ dT h (cid:0)− ζ (cid:1) ζ ζi be simply generalized to the infinite U model, to ob- tain χ′′(ω)/ω =(Nπ/2K)(χ/N)2. This relationship where the trace denotes a sum over the spin and chan- |ω=0 guarantees that the power-spectrum of the magnetiza- nelindices ofthe variousfields andn is the distribution ζ tion is linear at low frequencies, ensuring that the spin function (Fermi for ζ =c,χ andBose for ζ =b). G and ζ response function decays as 1/t2 in time. Remarkably, a Σ respectively denote the retardedGreenfunctions and ζ Fermi liquid, with slow gapless spin excitations is sand- selfenergies. Thesingleanddoubleprimesmarkthereal wiched beneath the spinon-holon continuum. and imaginarypartrespectively. The impurity contribu- We now turn to a discussion of the electron scatter- tiontotheentropyS =S S ,whereS istheentropy imp 0 0 − ing off the impurity, which is determined by the conduc- of the bare conduction band, is shown in the upper pan- tion electron t-matrix, t(z) = Σc , where G0(z) = nel of Fig. 2. An inspection of low temperatures shows 1−G(c0)Σc c a linear behavior of the impurity contribution to the en- ~k(z−ǫ~k)−1 is the bare localconductionelectronprop- tropy. The latter marks the saturation of the specific Pagator. Various important physical properties, such as heat coefficient γ = ∂S /∂T at low temperatures the impurity resistivity and the electron dephasing rate imp imp and the formation of a local Fermi liquid. inthe dilute limitcanbe relatedto thisquantity. Figure To calculate the spin susceptibility, we couple a small 3 shows the imaginary part of t(ǫ+iη): as temperature magnetic field to the magnetization, defined as is lowered towards the Kondo temperature, a resonance peak starts to develop around the Fermi energy. The N +1 M = sgn(α ) b†b + c† c . peak continues to evolve with temperature and finally − 2 (cid:18) α α ~kνα ~kνα(cid:19) saturates a decade below the Kondo temperature. The Xα X~k,ν fullydevelopedresonanceispinnedtotheLangrethsum- The impurity magnetization is obtained by subtracting rule[12]valueofsin2δ /πρ,attheFermienergypresented c the magnetization of the free conduction sea from M. by the dot in the inset of Fig.3. When we apply a field, we must keep track of the ver- The impurity contribution to the resistivity R is re- i tex corrections that arise from the field-dependence of lated to a thermal average of the t matrix, − the self-energies. These vertex functions are essential to maintain the conservation laws. We compute the mag- 3m2n ∂f −1 i −1 R = dǫ Imt(ǫ+iη) . (7) netic field vertex functions by iterating the solutions to i 2e2ρk2 (cid:26)Z (cid:18)−∂ǫ(cid:19)| | (cid:27) F 4 0.3 corporation of spin relaxation effects on the boson lines, suggestthatthiswillbearobustmethodtoexaminehow 22k / 3mnFi0.2 0.2ρ(0) / ni sqthpueiannvatounltmdagedleeocdttser.poTennhddeeespnehcmaese[it2nh4go]edoffsfecctahtnseeadvliossoltvrbeibewuuittsihoendvotfuoltnascgttueidoinny 2ρe(0) 0.1 0.1−1τπ φ anOdnneoiosef itnhemsatgrnikeitnicgalfleyatduorpeesdomf etshoescSocphiwciwngireers[b25o]s.on 2 R approach to the Anderson and Kondo models, is the co- existence of a gapless Fermi liquid, sandwiched at low 0 0 10−2 10−1 100 101 102 103 energies between a gapped spinon and holon fluid. The T/T gapinthespin-chargedecoupledexcitationsappearsinti- K matelylinkedtothedevelopmentoftheFermiliqidWard FIG. 4: The impurity contribution to the resistivity Ri and identities. The methods presented in this paper can be dephasing rateτ−1 as afunction of temperature. Solid lines: φ scaleduptodescribethedenseAndersonandKondolat- theparameters used in Fig. 3, dashed lines: Γ=0.1D. tice models, where the Friedel sum rule is replaced by the Luttinger sum rule[7]. In the lattice, the U(1) lo- cal symmetry of the impurity model will in general be where k is the Fermi wavelength and f is the Fermi F replaced by a global U(1) symmetry associated with the distribution function. Figure 4 shows R (T). The resis- i pair-condensedSchwingerbosons[26]. Inthissetting,the tivity increases as the temperature decreases, saturating gapped spinons and holons are propagating excitations, at a value determined by the scattering phase shift. whose gap is fundamental to the large Fermi surface. It As a final applicationof the t-matrix, we compute the is this very gap that we expect to collapse at a quan- electrondephasingrateτ−1 thatcontrolsthefielddepen- φ tum criticalpoint. The currentwork,whichincludes the dence of weak electron localization. In the cross-over to effectsofvalencefluctuations,providesapowerfulframe- the Fermi liquid state, the formation of the Kondo reso- work for examining this new physics. nance gives rise to a peak in the inelastic scattering[19] and the electron dephasing rate [20]. In the dilute limit, This work was supported by DOE grant number DE- the impurity contribution to the dephasing rate is given FE02-00ER45790 and an ACI grant of the French Min- by τ−1 = 2n [ Imt πρt2] [19, 21, 22]. Fig. 4 shows istry of Research. We are grateful to Natan Andrei and the dφephasingi −rate o−n the| |Fermi surface computed from Gergely Zarand for discussions related to this work. t,showinghowthescatteringscaleswiththeKondotem- perature T in the Kondo regime of the model. K Our calculation of the dephasing rate shows that our method captures the cross-over into the coherent Fermi [1] For a review see A.C. Hewson The Kondo problem to liquid. However,italsohighlightsashortcomingthatwe Heavy Fermions (Cambridge Press, Cambridge 1993). hopetoaddressinfuturework. Atlowtemperatures,the [2] A.T. Holmes , D. Jaccard and K. Miyake, Phys. Rev. B electron dephasing rate has a quadratic dependence on 69, 024508 (2004). temperature. The electron-electron scattering diagrams [3] P.Coleman andA.J.Schofield,Nature433,226(2005). [4] L. Kouwenhovenand L.Glazman, Physics World, 1433 responsiblefortheseprocessesinvolveaninternalloopof (2001). gaugeparticles,whichonlyentersinthesubleadingO(1) [5] J.M. Luttinger, and J.C. Ward, Phys. Rev. 118, 1417 terms of the LW functional shown in Fig. 1(a), which (1960);J.MLuttinger,Phys.Rev.119,1153(1960);J.M. are absent from the current work. On the other hand, Luttinger, Phys. Rev.121, 1251 (1961). the low temperature, on-shell value of the conduction [6] J.-P. Blaizot, E. Iancu, & A. Rebhan Phys. Rev. D 63, electronvertexisdirectlyrelatedtoγ byWardidentities 065003 (2001). 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