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The isotropic XY model on the 5 inhomogeneous periodic chain 0 0 2 n a J. P. de Limaa,1, T. F. A. Alvesb, L. L. Gonc¸alvesa,2, J ∗ 1 2 aDepartamento de F´isica Geral, Instituto de F´isica, Universidade de Sa˜o Paulo, C.P.66318, 05315-970, Sa˜o Paulo, SP, Brazil ] h bDepartamento de F´isica, Universidade Federal do Ceara´, Campus do Pici, c e C.P.6030, 60451-970, Fortaleza, Ceara´, Brazil m - t a t Abstract s . t a The static and dynamic properties of the isotropic XY-model (s = 1/2) on the m inhomogeneous periodic chain, composed of N segments with n different exchange - d interactions and magnetic moments, in a transverse field h are obtained exactly at n arbitrary temperatures. The properties are determined by introducing the gener- o c alized Jordan-Wigner transformation and by reducing the problem to a diagonal- [ ization of a finite matrix of n-th order. The diagonalization procedure is discussed 1 in detail and the critical behaviour induced by the transverse field, at T = 0, is v presented. The quantum transitions are determined by analyzing the behaviour of 5 the induced magnetization, defined as (1/n) n µ < Sz > where µ is the 2 m=1 m j,m m 5 magnetic moment at site m within the segment j, as a function of the field, and the 1 critical fields determined exactly. The dynamPic correlations, < Sz (t)Sz (0) >, 0 j,m j′,m′ 5 and the dynamic susceptibility χzz(ω) are also obtained at arbitrary temperatures. q 0 Explicit results are also presented in the limit T = 0, where the critical behaviour / t occurs,for the static susceptibility χzz(0) as afunction of thetransverse fieldh, and a q m for the frequency dependency of dynamic susceptibility χzz(ω). Also in this limit, q d- the transverse time-correlation < Sjx,m(t)Sjx′,m′(0) >, the dynamic and isothermal n susceptibilities,χxqx(ω)andχxTx,areobtainedforthetransversefieldgreaterorequal o than the saturation field. c : v Key words: XY model, quantum transition, inhomogeneous chain i X PACS: 05.70.Fh, 05.70.Jk, 75.10.Jm, 75.10.Pq r a Corresponding author: L. L. Gonc¸alves. Fax: +55-85-3288-9636 ∗ E-mail address:lindberg@fisica.ufc.br 1 On a post-doctoral leave from Departamento de F´isica, Universidade Federal do Piau´i, Campus Ministro Petroˆnio Portela, 64049-550, Teresina, Piau´i, Brazil. 2 On sabbatical leave from: Departamento de F´isica, Universidade Federal do Preprint submitted to Elsevier Science 2 February 2008 1 Introduction Models involving inhomogeneous spin chains have been subject of intensive study in recent years motivated by various reasons. Amongst those, the most remarkable one is the necessity to understand the unusual new properties pre- sented by low dimensional magnetic materials [1,2,3,4] at low temperature, which are described in terms of its many-body behaviour and its quantum transitions [5]. As manifestation of these properties we can mention the ap- pearance of magnetization plateaus as functions of the external magnetic field [6,7], the existence of an energy gap between the ground state and first excited state at zero field [8] and the presence of quantum critical behaviour [4,9,10]. The one-dimensional XY model (s = 1/2) introduced by Lieb et al. [11] plays an important role in this context since it constitutes one of the few many- body problems which can be exactly solved. The most recent results on the inhomogeneous anisotropic model have been obtained by Derzhko et al.[12] and are restricted to the thermodynamic properties. A good review of the known results is also presented in his work. For the isotropic model, the thermodynamic properties have also been ob- tained by Derzhko[13] (see references therein for thermodynamic properties of the alternating chain), and the study of the dynamics and of the quantum critical behaviour has been restricted to the alternating chain [14,15,16], and for the alternating superlattice[17]. In this paper we will also consider the isotropic XY model in a transverse field on the inhomogeneous periodic chain consisting of N unit cells with n sites, which has been studied by Derzkho [13]. Within the cells we can have n different exchange constants as well as magnetic moments, and the model corresponds toanextension ofthealternatingsuperlattice. Anextensive study ofthequantumcriticalbehaviourwillbepresentedandthedynamicproperties in the field direction determined for arbitrary temperature. Within a new formalism, we have been able to solve the model exactly, and present new and more general results from those presented in the previous papers[17,18]. In particular, we have been able to obtain the dynamic correlation in the xy-plane, at T = 0, for transverse field greater than the saturation field. In section 2 we discuss in detail the diagonalization of the model and present the analytical results for the chains composed of cells with two, three and four sites. The excitation spectrum is also obtained, by a different method, in Appendix A, and it is shown under which conditions the gap in the excitation spectrum is suppressed. Ceara´, Campus do Pici, C.P. 6030, 60451-970, Fortaleza, Ceara´, Brazil. 2 d=na m=1 m=2 m=n l−th cell Fig. 1. Unit cell of the periodic chain. The induced magnetization and the isothermal susceptibility χzz are obtained T in section 3 and we also determine the critical fields associated with the quan- tum second order phase transitions. The static and dynamic correlations in the field direction are obtained in section 4 and, in the section 5, we deter- mine the longitudinal dynamic susceptibility χzz(ω). The dynamic correlation q Sx (t)Sx (0) is obtained, at T = 0 and for external fields greater than 1,m 1+l,m′ tDhesaturationfieldE,inappendix B.Under these conditions,theisothermal and dynamic transverse susceptibility χxx are obtained in section 6, and finally in section 7 we summarize the main results and present the conclusions. 2 The diagonalization of the Hamiltonian We consider the isotropic XY model (s = 1/2) on the inhomogeneous periodic chain with N cells, n sites per cell, and lattice parameter a, in a transverse field, whose unit cell is shown Fig. 1. The Hamiltonian is given by N n n−1 H= µ hSz + J Sx Sx +Sy Sy + − ( m l,m m l,m l,m+1 l,m l,m+1 Xl=1 mX=1 mX=1 h i +J Sx Sx +J Sy Sy , (1) n l,n l+1,1 n l,n l+1,1 o wheretheparametersJ aretheexchangecouplingbetweennearest-neighbour, l,m µ the magnetic moments, h the external field and we have assumed periodic m boundary conditions. If we introduce the ladder operators S± = Sx iSy, (2) ± and the generalized Jordan-Wigner transformation[19] 3 l−1 n m−1 Sl+,m=exp iπ c†l′,m′cl′,m′ +iπ c†l,m′cl,m′ c†l,m, ( l′=1m′=1 m′=1 ) X X X 1 Sz =c† c , (3) l,m l,m l,m − 2 where c and c† are fermion annihilation and creation operators, we can l,m l,m write the Hamiltonian as[20] H = H+P+ +H−P−, (4) where N n 1 n−1 J H±= µ h c† c + m c† c +c† c −Xl=1(mX=1 m (cid:18) l,m l,m − 2(cid:19) mX=1 2 (cid:16) l,m l,m+1 l,m+1 l,m(cid:17))− N−1 J J n c† c +c† c n c† c +c† c , (5) − 2 l,n l+1,1 l+1,1 l,n ± 2 N,n 1,1 1,1 N,n Xl=1 (cid:16) (cid:17) (cid:16) (cid:17) and I P P± = ± , (6) 2 with P given by N n P = exp iπ c† c . (7) l,m l,m ! l=1m=1 X X As it is well known [20,21,22], since the operator P commutes with the Hamil- tonian, the eigenstates have definite parity, and P−(P+) corresponds to a projector into a state of odd (even) parity. Introducing periodic and anti-periodic boundary conditions on c′s for H− and H+ respectively, the wave-vectors in the Fourier transform [23], 1 c = exp( iqdl)A , l,m q,m √N − q X 1 N A = exp(iqdl)c , (8) q,m l,m √N l=1 X are given by q− = 2rπ for periodic condition and q+ = π(2r+1),for anti-periodic Nd Nd condition, with r = 0, 1,...., N/2, and H− and H+ can be written in the ± ± form H± = Hq±, (9) Xq± where 4 n 1 Hq± =− µmh A†q±,mAq±,m − 2 − m=1 (cid:18) (cid:19) X n−1 J m † † − 2 Aq±,mAq±,m+1 +Aq±,m+1Aq±,m − mX=1 h i J − 2n A†q±,nAq±,1exp(−idq±)+A†q±,1Aq±,nexp(idq±) . (10) h i Although H− and H+ do not commute, it can be shown that in the thermo- dynamic limit all the static properties of the system can be obtained in terms of H− or H+. However, even in this limit, some dynamic properties depend on H− and H+ [20,21,22]. Since [Hq,Hq′] = 0, (11) where we make the identification q q±, we can diagonalize the Hamiltonian ≡ by introducing the canonical transformation n n A = u ξ , A† = u∗ ξ† , (12) q,m q,km q,k q,m q,km q,k k=1 k=1 X X and by imposing the condition [ξ ,H ] = ε ξ , (13) q,k q q,k q,k which leads, for the coefficients u , to the equation q,km u u q,k1 q,k1     u u q,k2 q,k2 Aq ..  = εq,k .. , (14)  .   .          u  u   q,kn  q,kn         where A is given by q h J1 0 0 Jn exp( iqd) 1 2 ··· 2 −   J1 h J2 0 2 2 2  .  A  0 J22 h3 J23 .. , (15) q ≡ − ... J3 ... ... 0   2     0 ... h Jn−1   n−1 2    J2n exp(iqd) 0 ··· 0 Jn2−1 hn    and the u′s satisfy the orthogonality relations 5 n uq,kmu∗q,k′m = δkk′, (16) m=1 X n uq,kmu∗q,km′ = δmm′. (17) k=1 X Therefore the Hamiltonian can be written in the diagonal form 1 † H = ε (ξ ξ ), (18) q q,k q,k q,k − 2 k X where the spectrum ε of H is determined from the determinantal equation q q det(A ε I) = 0. (19) q q − In passing, we would like to note that for uniform magnetic moments, µ µ, m theterm n µhSz commutes withtheHamiltonian,andconsequently≡the − l,m l,m effect of the field is to shift the spectrum. P By using (16) we can express the operators ξ′s in terms of A′s which are given by n n ξ = u∗ A , ξ† = u A† , (20) q,k q,km q,m q,k q,km q,m m=1 m=1 X X and from eq.(8) we obtain, 1 N n ξ = exp(iqdl)u∗ c , q,k √N q,km l,m l=1m=1 X X 1 N n ξ† = exp( iqdl)u c† , (21) q,k √N − q,km l,m l=1m=1 X X and their inverse, as 1 c = exp( iqdl)u ξ , l,m √N − q,km q,k q k XX 1 c† = exp(iqdl)u∗ ξ† . (22) l,m √N q,km q,k q k XX The solution of eqs.(14) and (19) can be obtained analytically for n 4, and ≤ numerically for n > 4. In particular, the exact dispersion relations for the cases n = 2,3,4 are given below. For n = 2 is given by 1 1 ε = (µ +µ )h (µ µ )2h2 +J2 +J2 +2J J cos(2q), (23) q −2 1 2 ± 2 1 − 2 1 2 1 2 q 6 and for n = 3 by [24] 1 θ +pπ ε = (µ +µ +µ )h+2√ Rcos q , (24) q 1 2 3 −3 − 3 ! where p = 0,2,4 and θ = arccos R /√ R3 , with R and R given by q q q − (cid:16) (cid:17) 3a a2 9a a 27a 2a3 R = 2 − 1, R = 2 1 − q − 1, (25) q 9 54 where a =(µ +µ +µ )h, 1 1 2 3 1 a =(µ µ +µ µ +µ µ )h2 J2 +J2 +J2 , 2 1 2 1 3 2 3 − 4 1 2 3 1 (cid:16) 1 (cid:17) a =µ µ µ h3 µ J2 +µ J2 +µ J2 h+ J J J cos(3q). (26) q 1 2 3 − 4 1 2 2 3 3 1 4 1 2 3 (cid:16) (cid:17) For n = 4, the four branches of the dispersion relation are obtained from the expression [24] A +2Y (A +2Y ) 2(A B / A +2Y ) A 1 q 1 q 1 1 1 q ∓ ± − − ∓ ε = + r , (27) q q q −4 2 by considering the sign combinations (+ + +, , + , + +), and − − − − − − where 3A2 A3 AB A = +B, B = +C, 1 1 − 8 8 − 2 5 P θ +2π S 27 q q q Y = A 2 − cos( ), θ = arccos , q −6 1 − s 3 3 q  2 v P3 u− q u A 2 A3 A G B2 t  P = 1 G , S = 1 + 1 q 1, q q q − 12 − −108 3 − 8 3A4 BA2 AC G = + +D , (28) q q −256 16 − 4 and 7 A=(µ +µ +µ +µ )h, 1 2 3 4 B=(µ µ +µ µ +µ µ +µ µ +µ µ +µ µ )h2 2 1 4 1 3 1 4 2 3 2 4 3 − (J 2 +J 2 +J 2 +J 2) 1 2 3 4 , − 4 C=(µ µ µ +µ µ µ +µ µ µ +µ µ µ )h3 4 3 1 3 2 1 4 3 2 4 2 1 − (J2µ +J2µ +J2µ +J2µ +J2µ +J2µ +J2µ +J2µ )h 4 3 2 1 1 3 4 2 2 4 1 4 3 1 3 2 , − 4 (J2µ µ +J2µ µ +J2µ µ +J2µ µ )h2 D =µ µ µ µ h4 4 3 2 3 2 1 2 4 1 1 4 3 + q 4 3 2 1 − 4 (J2J2 +J2J2) J J J J + 1 3 4 2 1 2 3 4 cos(4q). (29) 16 − 8 The excitation spectrum, given by eq.(19), can also be obtained by a transfer matrix technique which leads to a different, but equivalent, expression. This calculation is presented in appendix A, and it is expressed as (ω,h) ℑ trace[T (ω,h)] = 2cos(dq), (30) cell J J ...J ≡ 1 2 n where T (ω,h) is given by eq.(A.15). Although it is not shown in Appendix cell A, we have verified that (ω,h) depends on the square of the exchange con- ℑ stants, J2,J2,....,J2 . This means that the effect of the change of the signs { 1 2 n} of the J′s is to introduce a shift of π/d in the spectrum wave-vectors, as can be seen in eq.(30). AsitisalsoshowninAppendixA,forzeroexternalfield,thereisnoenergygap between the ground state and the first excited state, for n odd and arbitrary J′s. However, for n even, the gap in the spectrum is only suppressed when the J′s satisfy the condition J J ...J = J J ...J . (31) 1 3 n−1 2 4 n This latter result can also be obtained from the criticality condition for 1D random Ising model in a transverse field [25] and the equivalence between XY chain and two decoupled transverse field Ising chains[26,27]. The excitation spectrum for a chain with n = 8, equal and different magnetic moments, is shown in Fig. 2. As can be seen, when the J′s satisfy eq.(31) (continuous line) there is no gap at zero field, whereas a gap is present when eq.(31) is not satified (dot-dashed line). Although these results are presented for equal µ′s, they are still valid when the µ′s are different. The dotted line represents the spectrum for nonzero field, different µ′s and the J′s also satisfying eq.(31). As can be seen, the spectrum shifts and opens a gap at zero and boundary wave-vectors, which is a consequence of the non- comutativity, in this case, of the field term with the Hamiltonian. 8 3 The induced magnetization and isothermal susceptibility χzz T From eqs.(3) and (22) we can express the local induced magnetization Mz l,m as µ µ Mz µ Sz = m u∗ u n m, (32) l,m ≡ m l,m N q,km q,km q,k − 2 D E Xq,k where the occupation number n is given by q,k 1 n = , (33) q,k 1+eβεq,k and the calculation can be done by considering H = H− [20,21,22], since we are interested in the thermodynamic limit. We can define an average cell magnetization operator in the z direction, τz, l as 1 n 1 n 1 τz µ Sz = µ c† c , (34) l ≡ n m l,m n m l,m l,m − 2 m=1 m=1 (cid:18) (cid:19) X X which corresponds to a generalization of the cell spin operator defined in the study of the alternating superlattice[18]. By using eqs. (32) and (34) we can write the induced magnetization per site as 1 n 1 1 Mz τz = µ u∗ u n , (35) ≡ h l i n mN q,km q,km q,k − 2 m=1 q,k X X   which can be written in the form 1 βε Mz = µ u∗ u tanh q,k . (36) −2nN m q,km q,km 2 ! q,k,m X The isothermal susceptibility can be obtained from the expression 1∂Mz 1 ∂u∗ βε χzz = µ q,kmu tanh q,k + T ≡ n ∂h −2nN  m ∂h q,km 2 ! qX,k,m ∂u βε + µ u∗ q,km tanh q,k + m q,km ∂h 2 ! q,k,m X β βε ∂ε + µ u∗ u sech2 q,k q,k . (37) 2 m q,km q,km 2 ! ∂h  qX,k,m  At T = 0, where the system presents quantum transitions, the induced mag- netization, obtained from eq. (36) in the limit T 0, is given by → 1 Mz = µ u∗ u sign(ε ), (38) −2nN m q,km q,km q,k q,k,m X 9 and from eq.(37) we obtain χzz, which diverges at the critical fields h . We T c identify the largest critical field as h , since for h > h the induced magneti- s s zation is saturated. For identical magnetic moments, the average cell magnetization operator, τz, l is proportional to the average cell spin operator, 1 n Sz , and eqs (36) n m=1 l,m and (38) can be written, respectively, as P 1 βε Mz = µtanh q,k , (39) −2nN 2 ! q,k,m X 1 Mz = µsign(ε ), (40) q,k −2nN q,k,m X where µ = µ for any m. m The results for Mz and χzz, at T = 0, are presented in Fig. 3 as functions of T the field h, for a chain with n = 8 and identical µ′s. The continuous line and the dashed line correspond to the cases where the exchange constants satisfy and do not satisfy the condition shown in eq.(31), respectively. As we have shown for the alternating superlattice [18], the magnetization also presents plateaus which are limited by critical fields h , where the isothermal suscep- c tibility diverges, which correspond to quantum phase transitions induced by the field. The regions of plateaus, which we associate with disordered regions [18], correspond to the gaps in the excitation spectrum, and the critical fields are associated with the zero-energy mode with the wave-vectors q = 0 and π/d. As it can also be seen, when there is no gap in the excitation spectrum at zero field (continuous line), the zero magnetization plateau, which is present when there is a gap (dashed line), is suppressed, and consequently the total number of transitions induced by the field is n 1. It should be noted that − the local magnetization also presents plateaus and non-analytic behaviour at the critical fields. For different magnetic moments, the critical fields are obtained as in the pre- vious case, and the results for Mz and χzz, also at T = 0, are shown in Fig. 4. T The main difference from the previous case is the fact that the magnetization does not present plateaus, and the susceptibility χzz is different from zero at T both sides of the transition, although it diverges at one side only. The local magnetizationpresentssimilarbehaviourasthetotalmagnetization,andthere is no suppression of the transition at zero field when there is no gap in the excitation spectrum (continuous line). The regions between two critical fields where the susceptibility χzz is finite correspond to the gaps in the spectrum. T As in the case of equal magnetic moments, we associated these regions with disordered regions. 10

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