Dimer and Trimer Fluctuations in the s=1/2 Transverse XX Chain

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University of Rhode Island DigitalCommons@URI Physics Faculty Publications Physics 005 Dimer and Trimer Fluctuations in the s=1/ Transverse XX Chain Oleg Derzhko Taras Krokhmalskii See next page for additional authors Follow this and additional works at: http://digitalcommons.uri.edu/phys_facpubs Terms of Use All rights reserved under copyright. Citation/Publisher Attribution O. Derzhko, T. Krokhmalskii, J. Stolze, and G. Müller. Dimer and trimer fluctuations in the s=1/ transverse XX chain. Physical Review B, 71(005), 10443, pp. 1-1. Available at: http://dx.doi.org/10.1103/physrevb.71.10443 This Article is brought to you for free and open access by the Physics at DigitalCommons@URI. It has been accepted for inclusion in Physics Faculty Publications by an authorized administrator of DigitalCommons@URI. For more information, please contact digitalcommons@etal.uri.edu.

Authors Oleg Derzhko, Taras Krokhmalskii, Joachim Stolze, and Gerhard Müller This article is available at DigitalCommons@URI: http://digitalcommons.uri.edu/phys_facpubs/35

PHYSICAL REVIEW B 71, 10443 005 Dimer and trimer fluctuations in the s= 1 transverse XX chain Oleg Derzhko, 1,, * Taras Krokhmalskii, 1 Joachim Stolze, 3 and Gerhard Müller 4 1 Institute for Condensed Matter Physics, ational Academy of Sciences of Ukraine, 1 Svientsitskii Street, L viv-11 79011, Ukraine Max-Planck-Institut für Physik Komplexer Systeme, öthnitzer Straße 38, 01187 Dresden, Germany 3 Institut für Physik, Universität Dortmund, 441 Dortmund, Germany 4 Department of Physics, University of Rhode Island, Kingston, Rhode Island 0881-0817, USA Received 10 ovember 004; published 31 March 005 Exact results for the dynamic dimer and trimer structure factors of the one-dimensional s= 1 XX model in a transverse magnetic field z are presented and discussed in relation to known exact results for the dynamic spin structure factors. In the framework of the Jordan-Wigner representation, the accessible spectrum of the dimer fluctuation operator is limited to two-fermion excitations, whereas that of the trimer fluctuation operator involves two- and four-fermion excitations. The spectral boundaries, soft modes, and singularity structure of the four-fermion excitation continuum as probed by the dynamic trimer structure factor are examined and compared to corresponding properties of the two-fermion excitation continuum, as probed by the dynamic dimer and transverse spin structure factors. DOI: 10.1103/PhysRevB.71.10443 PACS numbers: 75.10.b I. ITRODUCTIO The theoretical and computational study of frequencyresolved quantum fluctuations and thermal fluctuations in many-body model systems is an important area of research for several reasons. Such fluctuations are observable directly or indirectly by a host of measuring techniques used in condensed-matter physics and materials science. The shape of the spectrum dispersions, bandwidths, gaps, soft modes, etc., the spectral-weight distributions, and the singularity structure of the dynamic structure factors as measured or calculated for specific fluctuation operators yield detailed insights into the state of the material and reveal important clues about the susceptibility of the system to phase transitions with order parameters modeled after the fluctuation operators at hand. 1 An increasing number of exactly solvable quantum manybody model systems turn out to be relevant for situations where certain degrees of freedom of a material are kinematically constrained to one spatial dimension. Many such situations offer the most detailed comparisons in many-body dynamics of exact theoretical results with direct experimental observation. 4 Various properties of dynamic spin structure factors of quantum spin chain models are observable in quasi-onedimensional magnetic insulators, for example, via magnetic neutron scattering. 5 The properties of dynamic dimer and trimer structure factors, on the other hand, are important indicators of structural phase transitions driven by magnetic interactions, such as in spin-peierls compounds. Dimer fluctuations are key participants in phonon-assisted optical absorption processes of magnetic chain compounds and are thus observable in optical conductivity measurements. 6 10 Here we consider the exactly solvable s= 1 XX chain with a magnetic field in the direction transverse to the spin coupling in spin space. 11,1 The Hamiltonian reads H = s z n + n=1 n=1 Js x x n s n+1 + s y y n s n+1. 1.1 We set g B =1, =1, use the exchange constant as the energy unit, and measure the magnetic field in units of J. The Jordan-Wigner transformation to spinless lattice fermions maintains the bilinear operator structure, H = n=1 c n c n 1 + 1 n=1 Jc n c n+1 c n c n+1. 1. A Fourier transform, c = 1/ n=1 expinc n, brings 1. into diagonal form H = c c 1 = + J cos. 1.3, For periodic boundary conditions in 1.1 the allowed values of the fermion momenta i depend on whether the number f of fermions in the system is even or odd: i /n + 1 if f is even or i /n if f is odd. Fermion momenta within the first Brillouin zone are specified by integers n= /, /+1,,/ 1 if is even or n = 1/, 1/+1,, 1/ if is odd. The Fermi level in the band is controlled by the magnetic field. The number of fermions can vary between an empty band f =0 and a full band f = and is related to the quantum number S z the z component of the total spin of the same model in the spin representation: S z = f /. The dimer and trimer fluctuation operators for the XX model 1.1 will be introduced in Sec. II. The two- and fourfermion dynamic structure factors associated with these fluctuation operators will be discussed in Secs. III and IV, respectively. Finally, in Sec. V we give the conclusions and perspectives for future work. 1098-011/005/7110/104431/$3.00 10443-1 005 The American Physical Society

DERZHKO, KROKHMALSKII, STOLZE, AD MÜLLER II. FLUCTUATIO OPERATORS AD DYAMIC STRUCTURE FACTORS Most fluctuation operators of interest are constructed from local operators A n of the model system under consideration A = 1 n=1 expina n..1 Associated with each fluctuation operator.1 is a dynamic structure factor, S AA, = exp E A E + E, Z. which describes fluctuations of a specific kind. Here E and are the eigenvalues and the eigenvectors of H, and Z is the partition function. Of particular interest is the zerotemperature limit T=0 i.e.,, where the thermal fluctuations fade away leaving pure quantum fluctuations in the wake. What remains in. are transitions between the ground state and all excited states that can be reached by the fluctuation operator A S AA, = GSA, = E E GS..3 The dynamically relevant spectrum observable in. or.3 may vary considerably between fluctuation operators. Among other things, the spectrum is sensitive to their symmetry properties. For the s= 1 transverse XX chain 1.1, the most important and most widely studied dynamic structure factors are those for the local spin operators s n z = c n c n 1, + = s x n +is y n = c n expi c j c j, s n n 1 s n = s x n is y n = exp i c j c jc n. j=1 n 1 j=1.4 At zero temperature the dynamic spin structure factor S zz, is known to couple exclusively to the continuum of particle-hole excitations in the fermion representation, whereas S xx,=s yy, couples to excitations involving an arbitrarily high number of fermion excitations from the ground state. 13,14 The fluctuation operators considered here are constructed from local spin operators on nearest and next-nearest neighbor sites. The dimer fluctuation operator D and trimer fluctuation operator T are obtained via.1 from and D n = s x x n s n+1 + s y y n s n+1 = 1 c n c n+1 c n c n+1.5 T n = s x x n s n+ + s y y n s n+ = 1 c nc n+ c n c n+ c n c n+1 c n+1 c n+ +c n c n+1 c n+1 c n+,.6 respectively. There is no unique way of defining dimer and trimer fluctuation operators. The most suitable choice depends on the nature and symmetry of the model system at hand. The operators.5 and.6 have the advantage that the associated dynamic structure factors S DD, and S TT, can be analyzed exactly for the s= 1 transverse XX chain 1.1 in the fermion representation. As a motivation for the dimer and trimer operators used in this study, we offer a twofold argument. For a completely dimerized state, where nearest-neighbor spin correlations alternate between zero and a nonzero value along the chain, the operator D plays the role of dimer-order parameter. Likewise, for a completely trimerized state, where nextnearest neighbor spin correlations assume a period-three sequence of values zero, zero, nonzero, the operator T/3 plays the role of trimer-order parameter. Conversely, if we perturb the uniform XX Hamiltonian 1.1 by interactions of the form or PHYSICAL REVIEW B 71, 10443 005 H D = H T = n=1 n=1 cosnd n cos 3 nt n,.7.8 the ground state becomes dimerized or trimerized, respectively. In the former case, nearest-neighbor correlations are modified by period-two perturbative corrections of order, + and in the latter case by period-three corrections of order 1, 1,+. We may formally introduce the polymer fluctuation operator of order l, P l, via.1 from P l n = s x x n s n+l + s y y n s n+l..9 It includes the dimer and trimer operators for l=1,, respectively: P n 1 =D n, P n =T n. From the fermion representation of the polymer operator.9 as carried out explicitly in.5 and.6 for the lowest two orders, it is evident that the dynamic polymer structure factor S PP, at zero temperature will involve m-fermion excitations with m=1,,,l from the ground state. For an infinitely long chain the polymer fluctuation operator and the function S PP, may thus serve useful roles in attempts to understand the enormously complex dynamic spin structure factors S xx,=s yy,. Such tools by which the complexity of the dynamically relevant excitation spectrum can be gradually and systematically increased are not only useful for the calculations in the fermion representation as performed here but also for the recently developed techniques of calculating transition rates for the XX model in the framework of the Bethe ansatz. 15 17 The time-dependent polymer correlation 10443-

DIMER AD TRIMER FLUCTUATIOS I THE s= 1 PHYSICAL REVIEW B 71, 10443 005 function is related, in the limit l, to time-dependent spin correlation functions as follows: l P l l n tp n+m 0 s x x n ts n+m 0 +s x y n ts n+m 0..10 ote that s x y n ts n+m 0 is nonzero only if 0. III. TWO-FERMIO DYAMIC STRUCTURE FACTORS We start with the dynamic quantities, which are governed by particle-hole excitations. The equilibrium time-dependent correlation functions for the operators s z n t and D n t can be evaluated directly s z z n ts n+l 0 s z = 1 1, e i 1 l expi 1 tn 1 1 n, 3.1 D n td n+l 0 D = 1 cos 1 + 1, e i 1 l expi 1 tn 1 1 n, where n =1/1+exp is the Fermi function and s z = 1 n=1 3. s z n = 1 tanh, 3.3 D = 1 D n = 1 cos tanh n=1. 3.4 The associated dynamic structure factors, S AA, = dt expit l=1 exp il (A n t A)(A n+l 0 A), 3.5 all of which involve two-fermion transitions, are obtained by Fourier transform. The resulting expressions for can be brought into the form S zz, d 1 n 1 1 n 1 + + 1 1 + = FIG. 1. S zz, at T=0 and a =0, b =0.3, c =0.9, and d at T independent of ; only 0 is shown. = J sin sin +. 3.8 The dynamic structure factors 3.6 and 3.7 are governed by the two-fermion particle-hole excitation continuum, the properties of which were examined in Refs. 18 and 19. This continuum is well visible in Figs. 1 and. At zero temperature, T = 0, the two-fermion excitation continuum has the following lower, middle and upper boundaries in the,-plane we assume that 0 in the rest of the equations of this section; these equations are valid also for 0 after the change l J = sin sin, m J = sin sin +, 3.9 3.10 = S DD, = n 1 n + J sin cos +, cos + n 1 n + J sin cos +, where are the solutions of the equation 3.6 3.7 sin = sin +, if 0, u J sin, if, 3.11 respectively. The parameter =arccos/j varies from 10443-3

DERZHKO, KROKHMALSKII, STOLZE, AD MÜLLER when = J to 0 when =J. The profiles at fixed of the two-fermion dynamic structure factors may exhibit square-root divergences a common density-of-states effect in one dimension when Jsin/.AtT0 the lower boundary of two-fermion excitation continuum is smeared PHYSICAL REVIEW B 71, 10443 005 out. The spectral weight in 3.6 and 3.7 is now confined to Jsin/. Closed-form expressions for the two-fermion dynamic structure factors 3.6 and 3.7 exist in the low- and hightemperature limits. At T=0 we have 1 S zz, = 4J sin lu, l + m u, if 0, if, 3.1 4J sin S DD, = l u, 4J sin l + m u, if 0, if, 3.13 and at T we have 1 S zz, = 4J sin Jsin, 3.14 4J sin S DD, = 8J sin Jsin. 3.15 The zero-temperature results for S zz, can be found in Eq..3 of Ref. 18 and for S DD, at =0 in Eq. 3. of Ref. 8. In Figs. 1 and we show the dynamic structure factors 3.6 and 3.7 at zero temperature T=0 and different values of the transverse field Figs. 1a 1c and a c, and at T Figs. 1d and d. The results for T are independent of. As we can see, the two-fermion dynamic structure factors are nonzero within the two-fermion excitation continuum in the, plane. Their spectral-weight distributions are controlled by the Fermi functions, the multiplicity of the solution of Eq. 3.8, the singularities in the density of one-particle states, and the explicit form of the rest of the integrand in 3.6 and 3.7. Another two-fermion dynamic quantity will be presented in Sec. IV, namely, the twofermion contribution to the dynamic trimer structure factor, S TT,. IV. FOUR-FERMIO DYAMIC STRUCTURE FACTOR ext we consider the dynamics of the trimer fluctuations. The method remains the same but its execution is more tedious. In addition to two-fermion transitions also fourfermion transitions contribute to the trimer fluctuations. The expression for the equilibrium time-dependent trimer-trimer correlation function reads T n tt n+l 0 T = 1 k 1,k C 1, e i 1 l expi 1 t n 1 1 n + 1 4 C 4 1,, 3, 4 1,, 3, 4 e i 1 + 3 4 l expi 1 + 3 4 t FIG.. S DD, at T=0 and a =0, b =0.3, c =0.9, and d at T independent of ; only 0 is shown. where n 1 n 1 n 3 1 n 4, 4.1 10443-4

DIMER AD TRIMER FLUCTUATIOS I THE s= 1 T = 1 T n = c +c 1 c 0 c, n=1 4. PHYSICAL REVIEW B 71, 10443 005 J = cos 1 + cos cos 3 cos 4, C 1, = 1 c 0 cos 1 + +4c 1 1 c 0 cos 1 + + cos 1 + +4c 1 cos 1 + cos +8 c + c 1 +c 0 c cos 1 + +8c 1 cos 1 +4c 1 1 c 0 4c cos 1 + cos +4c 8c 1 8c 1 +4c +16c 0 c 1 8c 0 c +16c 1 c, 4.3 = 1 + 3 + 4 mod, cos 1 J, cos J, cos 3 J, cos 4 J, 4.8 1,,3,. Equations 4.8 imply that the four-fermion excitation continuum like the two-fermion excitation continuum exists only if the magnetic field does not exceed the saturation field: J. An analytical expression for the lower boundary of the four-fermion excitation continuum in the, plane depends on and and is given by one of the following expressions see the Appendix for additional details: C 4 1,, 3, 4 = 16 sin 1 sin 3 4 cos 1 + + 3 + 4. 4.4 Here we have introduced the function c p =1/ cospn. For and at zero temperature we have c 0 =1 if J, c 0 =/ if JJ, c 0 =0 if J, c p = sgnj p sinp/p if J and c p =0 otherwise p=1,,. AtT we have c p = 1 p,0. The resulting dynamic trimer structure factor 3.5 for then has the following form: where S TT, = S TT, + S 4 TT,, 4.5 l 3 J l 4 J l 1 J l J = sin = 4 cos 4 sin, 4.9 cos + 4, 4.10 = sin + sin +, 4.11 = sin sin, 4.1, d 1 C = 1, 1 + n 1 1 n 1 + S TT + 1 1 +, 4.6 S 4 TT, = 1 4 d 1 d d 3 C 4 1,, 3, 1 + 3 + n 1 n 1 n 3 1 n 1 + 3 + + 1 + 3 1 + 3 +. 4.7 The spectral weight in this quantity comes from both the two-fermion one particle and one hole excitation continuum and the four-fermion two particles and two holes excitation continuum. Let us first discuss the properties of the four-fermion excitation continuum and then the properties of S TT,. AtT=0 the four-fermion excitation continuum for J= J0 is determined by the conditions FIG. 3. Lower boundary l =min l j, j=1,,5 of the fourfermion excitation continuum vs wave number and transverse field for J=1. 10443-5

DERZHKO, KROKHMALSKII, STOLZE, AD MÜLLER PHYSICAL REVIEW B 71, 10443 005 FIG. 4. Lower and upper boundaries of the two- and fourfermion continua for J=1 and =0, 0.3, 0.6, and 0.9. The twofermion continuum is shown shaded. FIG. 5. S, as given in 4.8 vs at =0,/,/3, with S 1,, 3,=1 bold curves, and S 1,, 3, =n 1 n 1 n 3 1 n 1 + 3 + for =0 solid curves, =0.3 long-dashed curves, =0.6 short-dashed curves, =0.9 dotted curves. Vertical lines mark the values of j s, j=1,,3 as given in 4.5 4.7. ote the different vertical scales left and right. 10443-6

DIMER AD TRIMER FLUCTUATIOS I THE s= 1 PHYSICAL REVIEW B 71, 10443 005 FIG. 6. S TT, at T=0 and =0. Separate plots are shown for a S TT,, b S 4 TT,, and c the sum S TT,. FIG. 7. S TT, at T=0 and =0.3. Separate plots are shown for a S TT,, b S 4 TT,, and c the sum S TT,. l 5 J = 4sin 4 sin 4. 4.13 l 13 =, 3, 4.15 The range in over which for a given one of the expressions 4.9 4.13 forms the lower boundary of the fourfermion continuum can be read off Fig. 3. The darkness in this gray-scale plot is a measure of the size of the energy threshold of the four-fermion continuum white means zero excitation energy, i.e., a soft mode. The boundary between the region i where i l is the lower boundary and the region j where j l is the lower boundary follows from the matching condition i j l = l and is given by the formula =l ij where l 1 = 4 arctan tan tan 3, 3 3, 4.14 l 14 =, l 3 = 4, l 34 = + cos 1, l 45 =4. 4.16 4.17, 4.18 3 4.19 The boundary between regions and 4 is determined by the cubic equation 10443-7

DERZHKO, KROKHMALSKII, STOLZE, AD MÜLLER PHYSICAL REVIEW B 71, 10443 005 FIG. 8. S TT, at T=0 and =0.6. Separate plots are shown for a S TT,, b S 4 TT,, and c the sum S TT,. FIG. 9. S TT, at T=0 and =0.9. Separate plots are shown for a S TT,, b S 4 TT,, and c the sum S TT,. sin sin tan 3 +3+cos + 3 cos tan sin + 3 sintan +3+cos cos =0. 4.0 Typical lower boundaries of the four-fermion continuum for several values of can be seen in Fig. 4. The soft modes according to 4.9 4.13 are given by u 1 J = 4 cos 4. 4. For J/ J the upper boundary is given by 4. only if 4, whereas, if 4, it is given by u J = 4 cos 4 cos 4 4.3 0 = 0, 4,,4. 4.1 Alternatively, the soft modes 4.1 may be determined directly from 4.8. They occur when cos 1 =cos =cos 3 =cos 4 =cos. The upper boundary of the four-fermion continuum for 0J/ is given by see the Appendix. The upper boundaries of the fourfermion continuum for several values of can be seen in Fig. 4 in comparison with the corresponding two-fermion continuum. The four-fermion continuum always contains the twofermion continuum. The lower boundaries coincide in part. The upper boundaries are different. In the zero field case we have l =Jsin for both continua. The upper boundaries 10443-8

DIMER AD TRIMER FLUCTUATIOS I THE s= 1 are u =4Jcos/4 and u =Jsin/ for the two- and four-fermion continua, respectively. As the saturation field =J is approached from below, the two-fermion continuum narrows to a branch and then disappears whereas the PHYSICAL REVIEW B 71, 10443 005 four-fermion continuum remains an extended region, bounded by l =4Jsin /4 and u =4Jcos /4, and then disappears abruptly. ow consider the equation 3 j=1 j cos 1 + cos cos 3 cos + 1 + 3 =0. 4.4 It is satisfied for s 1 J s J = sin, 4.5 = 4 sin 4, 4.6 accessible experimentally in high-resolution inelastic neutron scattering on alternating chain and ladder materials. Interestingly, the s= 1 transverse XX chain, which can be mapped onto noninteracting spinless fermions, provides an excellent example of a system whose dynamic properties are governed by continua of multifermion excitations. In particular, the dynamics of trimer fluctuations provides a direct mo- s 3 = 4 cos J 4. 4.7 Thus, for or approaching the curves 4.5 4.7 in, space, the quantity S, = d d 1 d 3 S 1,, 3, Jcos 1 Jcos + Jcos 3 + Jcos + 1 + 3 4.8 exhibits cusp singularities akin to density-of-states effects in three dimensions. The exact nature of the cusps also depends on the factor S 1,, 3,, which varies between different dynamic structure factors with a four-fermion part. It always includes the factor n 1 n 1 n 3 1 n 1 + 3 + as can be seen in expression 4.7. In Fig. 5 we show the dependence of S, as given by 4.8 at =0,/,/3, when S 1,, 3,=1 and when S 1,, 3,=n 1 n 1 n 3 1 n 1 + 3 + for several values of. At T0 the lower boundary of the four-fermion excitation continuum is smeared out and the upper boundary becomes u =4Jcos/4. The properties of the multimagnon continua of quantum spin chains have been examined in some detail in the recent paper of Barnes. 0 In particular, the lower and upper boundaries of the two- and higher-magnon continua were determined. It was shown that the boundary curves under certain conditions may exhibit discontinuous changes in composition and cusps. Moreover, a behavior of the density of twoand higher-magnon states on the continuum boundaries and within the continuum was considered and the existence of discontinuities was pointed out. These features of onedimensional quantum spin systems are expected to become FIG. 10. S TT, at T independent of ; only 0 is shown. Separate plots are shown for a S TT,, b S 4 TT,, and c the sum S TT,. 10443-9

DERZHKO, KROKHMALSKII, STOLZE, AD MÜLLER tivation for analyzing the four-fermion excitation continuum. Unlike in the analysis reported in Ref. 0, where the statistics of the elementary excitations magnons is not known, here the quasiparticles are known to be fermions and the consequences are fully taken into account. Finally, let us examine the explicit expression for the dynamic trimer structure factor S TT, 4.5. In Figs. 6 9 we present the zero-temperature dynamic trimer structure factor at different values of. In Fig. 10 we present the same quantity at infinite temperature. We show separately the twofermion contribution panels a in Figs. 6 10 and the fourfermion contribution panels b in Figs. 6 10 as well as the sum of these contributions panels c in Figs. 6 10. We observe how the spectral weight is spread across the fourfermion continuum. We also see that the two-fermion contribution stands out in terms of spectral weight. The two- and four-fermion contributions are comparable in intensity at T =0 and small. As increases the two-fermion contribution becomes more important and it completely dominates as J. In the high-temperature limit the two-fermion contribution is very dominant, but the four-fermion continuum is still in evidence. V. COCLUSIOS In summary, we have investigated some aspects of the dynamics of the s= 1 transverse XX chain, examining, in particular, the dynamics of dimer and trimer operators. For this purpose we have calculated several dynamic structure factors on a rigorous basis within the Jordan-Wigner representation. Although the dynamic dimer structure factor S DD, and the dynamic transverse spin structure factor S zz, are governed by fermionic one-particle one-hole excitations, the dynamic trimer structure factor S TT, also contains contributions from two-particle two-hole excitations. We have described the structure of the two- and four-fermion excitation spectra in some detail and investigated the distribution of spectral weight in S TT, across these continua at zero and nonzero temperature. In particular, we have established the boundaries of the four-fermion spectral range, the locations of soft modes, and the singularity structure, which includes one- and three-dimensional density-of-states features van Hove singularities. An alternative technique to evaluate dynamic structure factor of quantum spin chains is based on the Bethe ansatz solutions. 5,16,17 Recently such an approach has been applied to the s= 1 XX chain.16 Moreover, the relation between spinons or magnon quasiparticles and Jordan-Wigner fermions was discussed in some detail. It will be interesting to interpret the two- and four-fermion excitations discussed here in terms of the Bethe ansatz solution as studied in Ref. 16. ACKOWLEDGMETS This study was performed within the framework of the STCU Project o. 1673. O.D., J.S., and G.M. thank the Wilhelm und Else Heraeus-Stiftung for the kind hospitality during the 88. WE-Heraeus-Seminar on the Theme of Quantum Magnetism: Microscopic Techniques for ovel States of Matter Bad Honnef, 00 when the present study was launched. O.D. acknowledges the kind hospitality of the University of Dortmund in the spring of 003 when part of the work was done. O.D. expresses gratitude to the Max-Planck- Institut für Physik Komplexer Systeme Dresden for its hospitality in the spring of 004. APPEDIX To find the lower and upper boundaries of the fourfermion excitation continuum 4.8 at fixed and, we search for the extrema of /J as given in 4.8 and the values of 1,, 3, and 4 at which such extrema occur. Typical results are reported in Figs. 11 lower boundary and 1 upper boundary. In Fig. 11 we show the dependence on of 1,, 3, and 4, where /J assumes a local minimum. We distinguish five different regions. The global minimum yields the lower continuum boundary. If 0 a, and PHYSICAL REVIEW B 71, 10443 005 1 =, = 3 = 4 = A1 FIG. 11. Search for the lower boundary of the four-fermion excitation continuum. Shown are the values of 1,, 3, and 4 at which a minimum of /J as given in 4.8 occurs at =0.3J and. The dependences 1 and 3 on are shown by dashed curves, the dependences and 4 on are shown by dotted curves, the dependence of the minimal value of /J on is shown by solid curves. 10443-10

DIMER AD TRIMER FLUCTUATIOS I THE s= 1 PHYSICAL REVIEW B 71, 10443 005 FIG. 1. Search for the upper boundary of the four-fermion excitation continuum. Shown are the values of 1,, 3, and 4 at which a maximum of /J as given in 4.8 occurs at =0.9J and. The dependences of 1 = and 3 = 4 on are shown by dashed curves, the dependence of the maximal value of /J on is shown by solid curves. 1 l J = cos cos = sin sin = l 1 = = 4, 3 = 4 = + 4 A5 J ; A if a b, 1 = =, 3 = 4 = + A3 and u 1 J = 4 cos 4 = u J ; A6 and cos l J = cos + = 4 cos 4 4 cos + = l, A4 J etc. The values of a, b, c, and d follow from the matching conditions. In Fig. 1 we show the dependence on of 1,, 3, and 4, where /J assumes a local maximum. We distinguish two different regions. The global maximum yields the upper continuum boundary. If 0 A, if A, 1 = =, 3 = 4 = + A7 and u J = cos + cos = 4 cos 4 4 cos = u J A8 etc. From the matching condition we find A =4., *Corresponding author. Email address: derzhko@icmp.lviv.ua 1 V. S. Viswanath and G. Müller, The Recursion Method: Application to Many-Body Dynamics Springer-Verlag, Berlin, 1994, and references therein. M. Takahashi, Thermodynamics of One-Dimensional Solvable Models Cambridge University Press, Cambridge, UK, 1999. 3 V. E. Korepin,. M. Bogoliubov, and A. G. Izergin, Quantum Inverse Scattering Method and Correlation Functions Cambridge University Press, Cambridge, UK, 1993. 4 D. C. Mattis, The Many-Body Problem: An Encyclopedia of Exactly Solved Models in One Dimension World Scientific, Singapore, 1993. 5 G. Müller and M. Karbach, in Frontiers of eutron Scattering, edited by A. Furrer World Scientific, Singapore, 000; arxiv: cond-mat/0003076. 6 J. Lorenzana and G. A. Sawatzky, Phys. Rev. Lett. 74, 1867 1995; Phys. Rev. B 5, 9576 1995. 7 H. Suzuura, H. Yasuhara, A. Furusaki,. agaosa, and Y. Tokura, Phys. Rev. Lett. 76, 579 1996. 8 Yongmin Yu, G. Müller, and V. S. Viswanath, Phys. Rev. B 54, 94 1996. 9 J. Lorenzana and R. Eder, Phys. Rev. B 55, R3358 1997. 10 R. Werner, Phys. Rev. B 63, 174416 001. 11 E. Lieb, T. Schultz, and D. Mattis, Ann. Phys..Y. 16, 407 1961. 1 S. Katsura, Phys. Rev. 17, 1508 196; 19, 835 1963. 13 B. M. McCoy, E. Barouch, and D. B. Abraham, Phys. Rev. A 4, 331 1971. 14 G. Müller and R. E. Shrock, Phys. Rev. B 9, 88 1984. 15. Kitanine, J. M. Maillet, and V. Terras, ucl. Phys. B 554, 647 1999. 10443-11

DERZHKO, KROKHMALSKII, STOLZE, AD MÜLLER 16 D. Biegel, M. Karbach, G. Müller, and K. Wiele, Phys. Rev. B 69, 174404 004. 17 J. Sato, M. Shiroishi, and M. Takahashi, arxiv: cond-mat/ 041010 unpublished. PHYSICAL REVIEW B 71, 10443 005 18 G. Müller, H. Thomas, H. Beck, and J. C. Bonner, Phys. Rev. B 4, 149 1981. 19 J. H. Taylor and G. Müller, Physica A 130, 11985. 0 T. Barnes, Phys. Rev. B 67, 0441 003. 10443-1