Physica C 384 (2003) 41–46 www.elsevier.com/locate/physc Superconductivity in the periodic Anderson model with anisotropic hybridization L.G. Sarasua *, Mucio A. Continentino Instituto de Fısica, Campus da Praia Vermelha, Universidade Federal Fluminense, Niter oi, Rio de Janerio, 24.210-340, Brazil Received 6 December 2001; received in revised form 1 May 2002; accepted 21 May 2002 Abstract In this work we study superconductivity in the periodic Anderson model with both on-site and intersite hybridization, including the interband Coulomb repulsion. We show that the presence of the intersite hybridization together with the on-site hybridization significantly affects the superconducting properties of the system. The symmetry of the hybridization has a strong influence in the symmetry of the superconducting order parameter of the ground state. The interband Coulomb repulsion may increase or decrease the superconducting critical temperature at small values of this interaction, while is detrimental to superconductivity for strong values. We show that the present model can give rise to positive or negative values of dTc =dP , depending on the values of the system parameters. Ó 2002 Published by Elsevier Science B.V. PACS: 74.62.Yb; 74.20.)z; 74.25.Dw Keywords: Models for superconductivity; Superconducting phase diagrams; Pressure effects 1. Introduction Models in which correlated electrons are hybridized with a conduction band are of interest for the understanding of the physical properties of several systems [1–3]. Since the early proposal of Anderson [4], the Hubbard and Anderson models [5–7] were largely used as starting point for describing the normal and superconducting properties of high temperature superconductor cuprates (HTSC). Despite the great amount of work that has been done to determine the origin of the * Corresponding author. Tel.: +55-212-620-3881; fax: +55212-620-06735. E-mail address: gsarasua@if.uff.br (L.G. Sarasua). pairing mechanism in HTSC, the subject is still focus of debate. For this reason, sometimes these systems are modelled assuming a phenomenological attractive potential which includes all the possible contributions for this coupling. The emergence of superconductivity was largely studied in these models for different symmetries of the superconducting parameter [6,7]. Recently, it was proposed that modifications in the hopping of the Hubbard and extended Hubbard models are important to perform an accurate description and to provide a mechanism for pairing [8,9]. These includes the consideration of more than nearestneighbor hoppings or correlations in the hoppings. The effect of hybridization on superconductivity has been discussed recently [10,11]. However, a common feature of the cited models is that the 0921-4534/02/$ - see front matter Ó 2002 Published by Elsevier Science B.V. PII: S 0 9 2 1 - 4 5 3 4 ( 0 2 ) 0 1 8 3 9 - 7 42 L.G. Sarasua, M.A. Continentino / Physica C 384 (2003) 41–46 hopping and hybridization terms are assumed to be isotropic. It is interesting to consider extensions to the above models including different symmetries of the hybridization. In this work we study the influence of the symmetry of the hybridization on superconductivity for different symmetries of the superconducting order parameter, within the framework of the periodic Anderson model with an intersite attractive interaction, including both on-site and intrasite hybridization. The effect of the Coulomb interaction between electrons of different bands on Tc is also considered. The work is organized as follows. In Section 2 we present the model. In Section 3 we obtain the critical temperature Tc and superconducting region for different symmetries of the hybridization for s- and d-wave pairing. In Section 4 the effect of the interband Coulomb repulsion on superconductivity is considered. We also discuss the effect of pressure application on Tc in the present system. In Section 5 we summarize our results. With the use of Hartree–Fock factorization in (1), and performing a Fourier transformation, we obtain the anomalous and standard GreenÕs functions for the electrons of thef-band: y y ; fkr iix ¼ hh fkr y iix ¼ hh fkr ; fkr 2 1 1 Dk ðx2 f0k ÞP ðxÞ 2p ð2Þ 1 ðx f0k Þððx þ 0k Þðx þ f0k Þ Vk2 Þ 2p P ðxÞ1 ð3Þ with P ðxÞ ¼ ððx 0k Þðx f0k Þ Vk2 Þ 2 ððx þ 0k Þðx þ f0k Þ Vk2 Þ D2k ðx2 f0k Þ; where 0k ¼ k U hnfr i þ 0 , and k and f0k are the energies of the unperturbed bands k ¼ 2tf ðcosðkx aÞ þ cosðky aÞÞ; f0k ¼ 2td ðcosðkx aÞ þ cosðky aÞÞ: 2. Hamiltonian model We consider the periodic Anderson model in a bidimensional square lattice X y X y X H ¼ tf fir fjr þ td dir djr U nfi nfj hijir þ 0 X hijir nfi þ i X Vij ðfiry djr hiji þ diry fjr Þ ð1Þ ijr where firy ðfir Þ and diry ðdir Þ are the creation (annihilation) operators for f- and d-bands, nfi ¼ nfi" þ nfi# , 0 is the site energy of f electrons, U is the nearest-neighbor attraction between electrons of the f-bands and the last term represents the hybridization between the bands. Here Vij includes hybridization between electrons on the same site and between electrons on nearest-neighbor sites. We assume that Vij has an on-site-diagonal value Vii ¼ V and off-diagonal values Vij ¼ Vx , Vy for hybridization in the x- and y-directions. We introduce the superconducting order parameters y y fj;r i; Dx ¼ U h fi;r y y Dy ¼ U h fi;r fj0 ;r i where j, j0 are neighbor sites of i, with ij and ij0 defining directions parallel to x and y respectively. so that the bandwidths of the f- and d-bands are D ¼ 8tf and W ¼ 8td . We also introduced the notations Vk ¼ V þ Vx cosðkx aÞ þ Vy cosðky aÞ; Dk ¼ 2Dx cosðkx aÞ þ 2Dy cosðky aÞ: In our study we shall concentrate in the cases of swave pairing (Dx ¼ Dy ) and d-wave pairing (Dx ¼ Dy ). In similar form, we specialize the hybridization to the cases Vx ¼ Vy and Vx ¼ Vy . We then can express Dk and Vk as Dk ¼ 2D cosðkx aÞ 2D cosðky aÞ Vk ¼ V þ 2V 0 cosðkx aÞ 2V 0 cosðky aÞ V þ Vk0 ð4Þ Thus, the hybridization can have a mixed symmetry, with one part being an (s-symmetric) on-site hybridization, and the other an intersite extended––s- or d-symmetric hybridization. In the above equation we defined Vk0 , as the k-dependent part of the hybridization. The roots of the polynomial P ðxÞ determine the new quasiparticle energies of the system, which are given by L.G. Sarasua, M.A. Continentino / Physica C 384 (2003) 41–46 2 43 2 2 E1;2k ¼ 12ðD2k þ 2Vk2 þ 0k þ f0k Þ qffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffi 2 2 2 2 12 ðD2k þ 0k f0k Þ þ 4Vk2 ðD2k þ ð0k þ f0k Þ Þ ð5Þ In the following let us restrict to the half filled band case (nf ¼ nd ¼ 1). We take the two bands 0k and f0k to be centered at the Fermi level l ¼ 0 (symmetric case), which corresponds to set 0 ¼ U =2. We note that in the symmetric case the presence of the on-site hybridization V opens a gap in the middle of the band for any value of V [12] if the f-band is localized. However, if the f-band has a dispersion (tf 6¼ 0), as we suppose here, this gap only arises if the on-site hybridization pffiffiffiffiffiffiffiffiffi is larger than a critical value Vg ¼ ðW =2Þ tf =td [13]. 3. Influence of hybridization on superconductivity From the propagators (2) and (3), we obtain the following self-consistency equation which determine the value of D " 2 2 1 X ck U D ðE1k f0k Þ D¼ tanhðbE1k =2Þ 2 2 N k ðE1k 2E1k E2k Þ # 2 2 ðE2k f0k Þ tanhðbE2k =2Þ ð6Þ 2E2k where ck ¼ cosðkx aÞ cosðky aÞ for s- and d-wave pairing respectively and b ¼ 1=kB T . We have solved Eq. (6) for various values of the model parameters and different symmetries of Dk and Vk0 . Fig. 1 shows the superconducting region in the plane (V and V 0 ) for d-wave pairing, with s- and dsymmetric Vk0 . The curves represent the points at which the critical temperature Tc vanishes. Although superconductivity is always destroyed by sufficiently large values of V or V 0 , the superconducting region is very enlarged in certain directions of the plane (V and V 0 ), for which resonance-like peaks appear. The localization of these peaks depends on the hybridization and superconducting parameter symmetries. In the case of d-symmetric Vk0 and d-wave pairing, this resonance takes place for directions defined as V =V 0 ¼ constant 6¼ 0. In contrast, for s-symmetric Vk0 the superconducting Fig. 1. Superconducting phase diagram as a function of V and V 0 for d-wave pairing. The curves represent the limit of the superconducting region (SC) for U =W ¼ 0:25 (thin lines) and U=W ¼ 0:5 (thick lines), with d-symmetric Vk0 (solid lines) and s-symmetric Vk0 (dotted lines). In all the cases td =tf ¼ 2. region extends almost along the axis V 0 . When the pairing is s-wave the situation is very similar but the positions of the peaks are altered. In fact, there are two peaks for the s-wave pairing and s-symmetric Vk0 . From Figs. 1 and 2 we can see that for given V and V 0 , the two symmetries of the superconductor parameter Dk may be favored, depending on the symmetry of Vk0 and the values of the system parameters. However, there is a tendency to be the most favorable situation those in which the hybridization and the superconductor parameter have different symmetries. For instance, for U ¼ 0:25W , V ¼ 0:125W and V 0 ¼ 0:25W , the superconductor parameter is d-wave when Vk0 is s-symmetric, while is s-wave when Vk0 is d-symmetric. When the hybridization has only the on-site component (V 0 ¼ 0), the critical temperature decays as V is increased. In contrast, when V 0 is nonzero, Tc may increase or decrease as V is increased. Fig. 3 shows the critical temperature Tc as a function of V for two different values of V 0 . From this, we see that for vanishing V 0 , Tc is maximum at V ¼ 0 and decreases monotonously with V. Instead, for V 0 ¼ 0:06W , Tc is zero for small values of V. As V is increased, Tc becomes different from zero and reaches a maximum for a finite value of V. 44 L.G. Sarasua, M.A. Continentino / Physica C 384 (2003) 41–46 in HTSC [14]. We conclude this section by noting that, although the critical temperature can be increased by varying the ratio V =V 0 , the absolute maximum value of Tc is obtained for V 0 ¼ V ¼ 0. 4. Interband repulsion and excitonic correlation Let us consider now the effect of the Coulomb repulsion between f- and d-electrons on superconductivity. For this purpose we include the following term in the Hamiltonian (1) X Hint ¼ Gr;r0 ndir nfir0 ð7Þ Fig. 2. Phase diagram for s-wave pairing, where the curves correspond the same convention that in Fig. 1. irr0 This is the so-called Falicov–Kimball term, which has been extensively used to model valence transitions and metal–nonmetal transitions in mixed valent compounds [15–17]. As in the previous section we obtain the quasiparticle energies from the poles of the GreenÕs functions 2 2 2 E1;2k ¼ 12ðD2k þ 2 Vek2 þ 0k þ f0k Þ qffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffi 2 2 12 ðD2k þ 0k f0k Þ2 þ 4 Vek2 ðD2k þ ð0k þ f0k Þ2 Þ ð8Þ where we have defined Vek ¼ Ve þ Vk0 , with Ve ¼ V þ AG and Fig. 3. The critical superconducting temperature Tc as a function of V for V 0 ¼ 0 (solid line) and V 0 ¼ 0:06W (dashed line), (U ¼ 0:25W ; G ¼ 0, td =tf ¼ 2). The results shown in Figs. 1 and 2 reveal the strong influence of the hybridization symmetry on the superconducting properties of the system. This put in doubt results obtained from models in which the isotropy of the overlap of the atomic orbitals is assumed, and suggest that the symmetry of the hybridization must be considered as part of the problem, instead of fixing it in an arbitrary form. In actual systems, the anisotropy of the hybridization can be originated in deviations of the lattice constant or by a nonuniform distribution the p-orbitals orientation of the oxygen atoms A ¼ hdiry fir i is the excitonic parameter. Here 0k ¼ k U hnfr i þ Ghndr i þ 0 , f0k ¼ fk þ Ghnfr i. In the above equations, we have assumed for simplicity that Gr;r ¼ G, Gr;r ¼ 0. The hamiltonian H þ Hint is equivalent to the spinless version of the Falicov– Kimball model, for the case U ¼ 0 [16,17]. In the mean field approximation, the effect of the interband Coulomb repulsion is to renormalize the hybridization. For this reason, all the results of the preceding section are still valid, but the value of V must be replaced by its renormalized value Ve . From the excitonic propagator y hhdkr ; fkr iix ¼ 1 e 1 V k ððx þ 0k Þðx þ f0k Þ Vek2 ÞP ðxÞ 2p ð9Þ L.G. Sarasua, M.A. Continentino / Physica C 384 (2003) 41–46 45 we obtain the self-consistency equation that determines the excitonic correlation A " 2 Vek 1 X ðE1k þ 0k f0k Vek2 Þ A¼ 2 2 N k ðE1k 2E1k E2k Þ tanhðbE1k =2Þ ðE2 þ 0k f0k Vek2 Þ 2k tanhðbE2k =2Þ 2E2k # ð10Þ This must be solved together with (6), where now the energies are given by (8). We have solved numerically the self-consistency equations (6) and (10) for various values of G, V and V 0 . Fig. 4 shows the V dependence of Ve . From this we can see that Ve increases almost linear with V, with a slope proportional to G. Grossly speaking, the effect of G is similar to multiplying V by a factor proportional to G. This causes the critical value Vc to destroy superconductivity to reduce when G is present (see Fig. 4). However, Tc can be enhanced by G when there is present the intersite hybridization, as can be seen from Fig. 5. This occurs up to moderate values of G. For higher values of G, Tc is reduced to zero (Fig. 5). The f–d Coulomb interaction is always detrimental to superconductivity if there is present only the on-site component Fig. 4. Effective hybridization Ve as a function of V for U ¼ 0:25W , td =tf ¼ 2 and (a) G ¼ 0:25W ; V 0 ¼ 0:2W , (b) G ¼ 0:25W ; V 0 ¼ 0, (c) G ¼ 0:125; V 0 ¼ 0:2W and (d) G ¼ 0:125; V 0 ¼ 0. The dashed lines indicate the values of V for which superconductivity is destroyed. Fig. 5. Superconducting critical temperature Tc as a function of G=W for V ¼ 0:1W , U ¼ 0:25W , td =tf ¼ 2, with V 0 ¼ 0 (solid line) and V 0 ¼ 0:06W (dotted line). of the hybridization (V 0 ¼ 0), for any value of G. We consider now the effect of pressure application P on the system. There are several systems for which the critical temperature Tc is increased when pressure is applied. It is thus of interest the development of models able to have negative or positive values of dTc =dP in order to model these systems. We show now that the present model can have the two kind of behavior. The usual effect of pressure is the renormalization of the hopping integrals. In addition, the repulsive term G also can be modified by the changes in lattice constants. We expect that, in a general case, the values of the derivatives of the parameters with respect to P; dG=dP , dV =dP and dV 0 =dP do not have the same values, due to their different origins. Hence, the values of Ve and V 0 will be renormalized in different manner by pressure application. In the preceding section, it was shown that this may imply a increase or a reduction of the critical temperature Tc depending on the values of the system parameters. As a consequence, the present system is able to have positive or negative values of dTc =dP . This is caused by the approach or departure from the optimal ratio value Ve =V 0 . 5. Conclusions We have examined the superconducting properties of an extended periodic Anderson model with 46 L.G. Sarasua, M.A. Continentino / Physica C 384 (2003) 41–46 both intersite and intrasite hybridization, including the Coulomb repulsion between f- and d-electrons. The diagram of the superconducting region as a function of the hybridization components V and V 0 , for different symmetries of the superconductor order parameter and the intersite hybridization was constructed. The obtained results show the importance of the hybridization symmetry and of the presence of the components V and V 0 to determining the superconducting properties of the system and the symmetry of Dk in the ground state. There are optimal values of the ratio V =V 0 for which superconductivity is favored. We have considered the effect of the interband Coulomb repulsion G on superconductivity. The result of our self-consistency calculation is that G is in general detrimental to superconductivity, but may enhance the critical temperature Tc up to moderate values of the interaction in the case in which there is present the intersite hybridization. The f –d Coulomb repulsion is always detrimental to superconductivity for large values of G or when there is only present the on-site hybridization (V 0 ¼ 0). We have shown that the present model can have positive or negative values of dTc =dP , depending on the values of the model parameters, which makes it useful to model compounds presenting the two signs of dTc =dP . 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