Brazilian Journal of Physics, vol. 33, no. 4, December, 2003 713 A Two Band Model for Superconductivity: Probing Interband Pair Formation R. E. Lagosa) and G. G. Cabrerab) a)Departamento de F´ısica, IGCE, Universidade Estadual Paulista (UNESP) CP. 178, 13500-970, Rio Claro, SP, Brazil b)Instituto de F´ısica ‘Gleb Wataghin’, Universidade Estadual de Campinas (UNICAMP) CP. 6165 Campinas, SP 13083-970 Brazil Received on 23 May, 2003 We propose a two band model for superconductivity. It turns out that the simplest nontrivial case considers solely interband scattering, and both bands can be modeled as symmetric (around the Fermi level) and flat, thus each band is completely characterized by its half-band width Wn (n=1,2). A useful dimensionless parameter is δ, proportional to W2−W1. The case δ = 0 retrieves the conventional BCS model. We probe the specific heat, the ratio gap over critical temperature, the thermodynamic critical field and tunneling conductance as functions of δ and temperature (from zero to Tc). We compare our results with experimental results for MgB2 and good quantitative agreement is obtained, indicating the relevance of interband coupling. Work in progress also considers the inclusion of band hybridization and general interband as well as intra-band scattering mechanisms. 1 Introduction Magnesium Diboride (MgB2) appears to be a rather “un- conventional” conventional superconductor [1, 2]. Two band effects observed as deviations of conventional BCS in- clude: anomalous specific heat [3] and two gaps features (in- cluding double peaked tunneling conductance spectra) [4- 10]. The superconductive mechanism, nevertheless seems to be conventional phonon BCS-like [11]. In this short com- munication we present a two band model based on the clas- sical work by Suhl et al. [12] and on an extension of the latter applied to high Tc compounds [13]. We mention other multiband models in the literature [14-21], and some cal- culations and fittings within a multiband and strong cou- pling context include Ref. [22-25]. In section II we intro- duce a two band model [12, 13] and within the usual BCS scheme we compute the mean field expressions for the free energy, entropy, critical field, conductance, and the selfcon- sistent equations for the gaps functions. In particular we consider the simplest case: solely interband pairing cou- pling via phonons. In section III we compare our simple model with some experimental results for the case of MgB2 [26, 1, 27], indicating that the interband pairing mechanism is somehow relevant. Finally in section IV we present some concluding remarks and future work. 2 The two band model Our model follows Ref. [12, 13], with the Hamiltonian H = ∑ k,m Ek,m ( c†k,mck,m − c−k,mc † −k,m ) − 1 N ∑ kq,m Vn,mc † k,nc † −k,nc−q,mcq,m (1) where the c†k’s are the usual creation operators,Ek,m are the bands dispersion (m = 1, 2), Vn,m are the positive pairing coefficients (V12 = V21 and D = V11V22 − V 2 12 �= 0). We have defined k = (k, ↑), −k = (−k, ↓), N is the number of sites and the last summation is with the usual energy cutoff ωD. The order parameters ∆n are defined as the expectation values ∆n = 1 N ∑ k,m Vn,m 〈 c†k,mc † −k,m 〉 The effective Hamiltonian is given by (within the Hartree Fock scheme for anomalous pairing, see Ref. [13]) Heff = NE0 + ∑ k,m Ψ† k,m (Ek,mσz − ∆mσx)Ψk,m where 714 R. E. Lagos and G. G. Cabrera E0 = 1 D ( V22∆2 1 + V11∆2 2 − 2V12∆1∆2 ) , Ψk,m ≡ ( ck,m c†−k,m ) � and σx, σz are the usual Pauli matrices. The free energy per site F is given by exp (−βNF ) = Tr exp (−βHeff ) F = E0 + T N ∑ k,m ln fk,m(1 − fk,m) where f(ω) = (exp(βω) + 1)−1, ωk,m = √ E2 k,m + ∆2 m and fk,m = f(ωk,m). The relative free energy δF = F − F (∆1 = ∆2 = 0), the thermodynamic critical field Hc, entropy (per site) and specific heat are given, respec- tively by δF (T ) = E0 − T N ∑ k,m ln (1 + coshβωk,m) (1 + coshβEk,m) = − 1 8π H2 c (2) S = − 2 N ∑ k,m ((1 − fk,m) ln(1 − fk,m) + fk,m ln fk,m) (3) � � CV = T ( ∂S ∂T ) V = 2β2 N ∑ k,m fk,m(1 − fk,m) ( ω2 k,m + 1 2 β ∂∆2 m ∂β ) (4) The condensation energy is given by δF (T = 0) = WC = E0 − 1 N ∑ k,m (ωk,m − Ek,m) (5) and the superconductor- normal tunneling differential conductance (conveniently scaled) is defined by G(V ) = − ∑ m ∫ dερm,S(ε) ∂f(ε+ V ) ∂ε (6) ρm,S(ε) = ρm ( sign(ε) √ ε2 − ∆2 m ) Real (√ (ε + iΓ)2 (ε+ iΓ)2 − ∆2 m ) , Γ → 0+ Minimization of the free energy with respect to the gaps functions, yields a coupled nonlinear system of integral equations for the gaps, to be solved selfconsistently, and given by (V22 −DR1(∆1, T ))∆1 − V12∆2 = 0 (7) −V12∆1 + (V11 −DR2(∆2, T ))∆2 = 0 where Rm(∆m, T ) = ∫ +ωD −ωD dερm(ε)S (√ ε2 + ∆2 m ) , S(x) = 1 2x tanh ( x 2T ) � and with ρm(ε) the density of states associated to the respec- tive band. The transition temperature is the highest temper- ature Tc = β−1 c , solution of (V22 −DR1(0, Tc)) (V11 −DR2(0, Tc)) = V 2 12 3 Results We compute the observables presented in the previous sec- tion. In particular we consider only interband scattering Brazilian Journal of Physics, vol. 33, no. 4, December, 2003 715 V11 = V22 = 0, V12 = λ, the simplest relevant case [12, 13]. We consider two flat symmetric bands, with ρm(ε) ≡ ρm(0) = ρm. The gaps equations (7) now read ∆m = λρn∆nR(∆n, T ), n �= m = 1, 2 R(∆, T ) = ∫ ωD 0 dε√ ε2 + ∆2 tanh ( β 2 √ ε2 + ∆2 ) At zero temperature the gaps equations are given by (in conveniente units) φ1 = 2∆1(T = 0) 3.53Tc = exp 1 ξ (1 − a) (8) φ2 = 2∆1(T = 0) 3.53Tc = exp 1 ξ ( 1 − 1 a ) where ξ2 = λ2ρ1ρ2 and a satisfies a selfconsistent equation. An excellent approximate solution is given by ln a = ξθ 2 − θ , θ = ln √ 1 + δ 1 − δ with −1 < δ = ρ1 − ρ2 ρ1 + ρ2 < 1 Notice that all the above mentioned observables will yield the standard BCS expressions [28] in the limit δ = 0. The critical temperature is given by Tc = 1.13ωD exp(−ξ−1). We label the bands such that δ > 0. If we consider MgB2, from Ref. [1, 27] we have Tc 40 0K , ωD 8000K yielding ξ 0.32. From Ref. [26] we approx- imate W1 ≈ 5.6eV (ρ1 ≈ 0.179eV −1), W2 ≈ 14.eV (ρ2 ≈ 0.071eV −1) yielding δ ≈ 0.432. In Fig. 1 we plot the normalized gaps φm at zero tem- perature, Eq.(8), and (minus) the condensation energy −Wc Eq.(5), both as function of δ. The condensation energy is normalized to the BCS reference state i.e. Wc = δF (δ, T = 0)/δF (δ = 0, T = 0) (see Eq.2). The chosen normalization yields the standard BCS (weak coupling) value of unity for the gaps and the condensation energy. As δ is varied away from zero the condensation energy is less than the standard BCS. One gap will depart from weak to ‘a medium coupling regime’ (φ2 > 1), conversely the other gap will dive towards ‘a less than weak coupling regime’ (φ1 < 1), with the geo- metrical average √ φ1(δ)φ2(δ) ≡ 1 always in the standard weak coupling regime. These features seem consistent as we fit the parameter δ with experimental data [1]-[10]. In order to solve for the gaps, Eq.(7), we can use the available low temperature and near the critical temperature expansions [28]. These allow us to nicely interpolate, for the full temperature regime 0 ≤ τ = T/Tc ≤ 1. Once this is done we can readily compute the specific heat, Eq.(4), en- tropy, Eq.(3), and the thermodynamic critical field, Eq.(2). 0.0 0.2 0.4 0.6 0.8 0.0 0.5 1.0 1.5 2.0 -w C φ 2 φ 1 δ Figure 1. Gaps φm at zero temperature and (minus) the condensa- tion energy −Wc versus δ. Convenient units φm = 2∆0 m/3.53Tc and Wc = δF (δ, T = 0)/δF (δ = 0, T = 0). See text. In Fig. 2 we plot the specific heat CV (normalized to the normal state value at Tc) versus the temperature τ for several values of δ. The standard BCS result is represented by the curve δ = 0. The anomalous behavior of CV consists in going under the BCS value in the region 0.5 < τ < 1, and going over the BCS value in the region 0 < τ < 0.5. This feature is in very good agreement with Ref. [3]. In Fig. 3 we plot the entropy S (normalized to the normal state value at Tc) versus the temperature τ for several values of δ. The standard BCS result is represented by the curve δ = 0. As δ departs from zero (bands are less ‘identical’) the sys- tem increases its entropy. In Fig. 4 we plot the thermody- namic critical field (normalized to the reference state δ = 0, T = 0) versus the temperature τ for several values of δ. The standard BCS result is again represented by the curve δ = 0. As δ increases the critical field is reduced when compared to the BCS value. This is in agreement with experimental results [3]. 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0 0.0 0.5 1.0 1.5 2.0 2.5 δ=0.7 δ=0.6 δ=0.4 δ=0.2 δ=0.0 CV τ Figure 2. Specific heat CV versus τ = T/Tc for several δ val- ues; normalized to the normal state specific heat at Tc: Cn(Tc) = 4π2(ρ1 + ρ2)/6. See text. 716 R. E. Lagos and G. G. Cabrera 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0 0.0 0.2 0.4 0.6 0.8 1.0 0.7 0.6 0.4 0.2 0.0 δ= S τ Figure 3. Entropy S versus τ = T/Tc for several δ values; nor- malized to the normal state entropy at Tc: Sn(Tc) = 4π2(ρ1 + ρ2)Tc/6. See text. 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0 0.0 0.2 0.4 0.6 0.8 1.0 0.0 0.2 0.4 0.6 0.7 δ= Hc τ Figure 4. Thermodynamic critical field Hc versus τ = T/Tc for several δ values; normalized to the reference (BCS) state T = 0, δ = 0, H2 c (τ ) = F (τ, δ)/F (0, 0). See text. -20 -16 -12 -8 -4 0 4 8 12 16 20 0 1 2 3 τ=0.5 τ=0.1 τ=0.2 τ=0.0δ=0.5 G(V) V(meV) Figure 5. Tunneling conductance for several temperatures, at δ = 0.5, versus applied voltage. A small dispersion is included Γ = 0.1 meV [22]. See text. In Fig. 5 we plot the conductance, Eq.(6) versus applied voltage, for a fixed value of δ = 0.5, and for several tem- peratures, and where a small dispersion is included, Γ = 0.1 meV [22].The double peaked form is in very good agree- ment with observations (see for example Ref. [7]). 4 Concluding Remarks We presented the simplest relevant two band model for superconductivity, based on a standard BCS-like pairing mechanism. We computed the gaps equations at zero tem- perature. Also the specific heat, entropy, critical field and conductance as function of temperature. We considered the simplest interband scattering mechanism (one pairing pa- rameter) and two planar symmetrical bands (one parame- ter band model). 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