S i J <ij> h mf = h + Jzm (4) and m, the magnetisation per spin, is just the mean value of any given spin. S i = S k k (5) N.

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Transcription:

Statistical Physics Section 10: Mean-Field heory of the Ising Model Unfortunately one cannot solve exactly the Ising model or many other interesting models) on a three dimensional lattice. herefore one has to resort to approximations. In this section we will go through in detail a mean field approximation which is always the first recourse in trying to construct a theory. Actually there are many possible mean field theories, but they all share the same spirit. Here we present the simplest version which is known as Weiss mean field theory. 10. 1. he mean-field approximation Recall that the Ising configurational energy is E{S i }) = h i S i J <ij> S i S j 1) Consider all contributions involving spin j where the sum is over nearest neighbours n.n.) k of site j. n.n ɛs j ) = hs j JS j S k 2) We now approximate this contribution by replacing the S k by their mean value where k n.n ɛ mf S j ) = hs j JS j S k = h mf S j 3) k h mf = h + Jzm 4) and m, the magnetisation per spin, is just the mean value of any given spin m = 1 S i = S k k 5) N i hus the mean field approximation is to replace the configurational energy 1) by the energy of a non-interacting system of spins each experiencing a field h mf. For this problem we can write down the single-spin Boltzmann distribution straightaway ps j ) = e βɛ mf S j ) S j =±1 e βɛ mf S j ) = e βhmf Sj e βh mf + e βh mf 6) However, we still have a consistency condition to fulfil: the value of the magnetisation m predicted by 6) should be equal to the value of m used in the expression for h mf 4). hus we require m = ps j )S j S j =±1 = eβh mf e βh mf e βh mf + e βh mf = tanhβh mf ) 7) 58

and we arrive at the mean-field equation for the magnetisation m = tanhβh + βjzm) 8) First we will consider the case h = 0 zero applied field). he solutions of m = tanhβjzm) 9) are best understood graphically. We see that for low β high ) the only solution is m = 0 Figure 1: Picture of tanhβjzm) versus m and the straight line m versus m. he intersections give the solutions of 9) whereas for high β low ) there are three possible solutions m = 0 and m = ± m. he solutions with m > 0 appear when the the slope of the tanh function at the origin is greater than one d dm tanhβjzm) > 1 10) m=0 Using the expansion of tanh for small argument tanh x x x3 3 actually we only need the first term at this point), we find the condition 10) is 11) βjz > 1 which gives, remembering β = 1/k, c = zj k 12) hus for > c only the paramagnetic m = 0 solution is available, whereas for < c we also have the ferromagnetic solutions ± m. hese are the physical solutions for < c as we shall see in the next subsection. 10. 2. Critical Behaviour Consider again equation 9) which becomes using 12) m = tanh m ) c 13) 59

We wish to analyse the emergence of the ferromagnetic solutions when is near c, that is, in the critical regime where c and m 1. Using 11) we obtain m = m c m3 3 ) 3 c hus m = 0 or ) 3 ) m 2 c = 3 c 1 We now define the reduced temperature t by 14) t = c c 15) which gives c = 1 + t c = 1 1 + t. 16) he reduced temperature t measures the proximity to the critical point. When t is small 14) becomes exercise) m 2 = 31 + t) 3 1 1 ) 3t 1 + t hus > c m = 0 < c m ±3 t ) 1/2 17) It is important to understand that what we have done is to identify the leading behaviour in t for t small We now proceed to compute the susceptibility χ = m h 18) h=0 and we should now expand 8). o capture the leading order behaviour in t, h it suffices to expand to first order in h: m = m ) 3 c m3 c + βh 3 aking the derivative w.r.t. h yields or χ = χ c + β χm2 χ = 1 c β + m2 c ) 3 c ) 3 ) 19) hen we find for t small and using the appropriate expression for m m = 0 or 14)) > c χ = < c χ = β ) β 1 c t β 1 c c + 3 β 1)) 2 t 60 20) 21)

Figure 2: Sketch of the critical behaviour of m and χ as functions of the reduced temperature t Again we have just identified the leading behaviour as t 0 he critical behaviour is sketched in the figure. Note how m > 0 emerges in a non analytic way since m diverges at t = 0. Also note the divergence in χ the response function to t the applied field) at t = 0. Finally we note that if we had taken the m = 0 solution below c in 19) we would have obtained a negative response function which is simply unphysical. herefore below c the ferromagnetic solution is the physical one. 10. 3. Limitations of Mean Field heory he essence of the mean field assumption is the neglect of correlations between spins i.e. we effectively replace S i S j S i S j i j 22) Note we can write the energy 1) in the form E{S i }) = E 0 h j S j, 23) where E 0 = J ij S i S j, which is the same form as that which we used to discuss the fluctuation response theorem in Section 3 when we identify f = h and A = j S j. hen we know that χ AA = A f = β [ A 2 A 2] 24) In our case χ = m h = 1 N χ AA = β [ S j S k S j S k ] 25) N his equation is exact. But if we now naively insert the mean field approximation 22) then all terms in the sum with j k will vanish and we are left with χ = β N jk [ S 2 j S j 2] = β[1 m 2 ] 26) j Clearly 26) does not diverge at c so the mean field approximation is inconsistent with regard to χ. he root of the problem lies in the neglect of correlations which become important as the critical point is approached. 61

Let us call G ij = S i S j S i S j 27) = S i S i )S j S j ) 28) Clearly G ij measures the correlations between the fluctuations S i = S i S i a positive G ij implies that the fluctuations of the spins about their mean value are correlated. We now define the correlation length: Let R ij be the distance between spins i and j. For large R ij we expect G ij CR ij )e R ij/ξ 29) where C is some slowly varying function but e R ij/ξ cuts off the correlation function at the correlation length ξ. hus ξ is the scale at which correlations decrease significantly. When > c so that S i = 0 a typical microstate will consist of clusters of up and down spins with the overall magnetisation being zero. Intuitively the correlation length gives a measure of the linear) size of the largest clusters of correlated spins. See figure for a one dimensional illustration. As the temperature is decreased to the critical temperature the Figure 3: Sketch of a typical configuration of spins above c which consists of clusters of correlated spins but zero overall magnetisation. ξ is the length of the largest clusters size of the clusters diverge and we expect ξ to diverge. One can refine mean-field theory to include the calculation of the two-point correlation function G ij. his is similar in spirit to the Debye-Hueckel theory but a little too technical than we have time for here. he result is that a correlation length is predicted which grows like ξ t 1/2 30) and clearly diverges at c. However the mean field theory is still inconsistent due to the neglect of three-point, fourpoint and higher order correlations. Basically near criticality correlations and fluctuations on all scales become important! 10. 4. Summary of mean-field picture and comparison with experiment he mean field theory predicts 62

he critical point c = zj k at h = 0 he singular, critical behaviour is described by m m t β < c ) 31) χ c ± t γ 32) ξ ξ ± t ν 33) β, γ, ν are known as critical exponents and take mean-field values β = 1/2, γ = 1, ν = 1/2. N.B. he standard notation for the order parameter magnetisation) exponent is β and there is an obvious clash with inverse temperature hence we use a tilde to be clear. Often one sees written, for example, the precise meaning of which is m t β ln m lim t 0 ln t = β 34) Actually there are even more critical exponents. For example, one can define the zero-field heat capacity C h = E t α 35) h=0 and near and below C one can characterise the discontinuity in the order parameter across the coexistence line by h m δ sign m 36) In the tutorial you are invited to work out the mean-field values α = 0 and δ = 3. he set α, β, γ, δ, ν characterise the critical point. It turns that some of these exponents are implied by the others and in fact there are only three independent exponents which we can take as β, γ, ν. Now the experimental data reveals that Systems do exhibit such singularities but the critical exponents differ from the mean field values however critical exponents are system independent e.g. for fluids, binary alloys and many magnets it has been found that β = 0.31, γ = 1.25, ν = 0.64 in three dimensions. hus apparently unrelated systems share the same set of critical exponents. his is referred to as Universality and remained a mystery for many years. o summarise, mean-field theory is successful in that it qualitatively describes the critical behaviour but is quantitatively incorrect. Moreover as we shall find next section it is qualitatively incorrect in one dimension. On the other hand as we shall discuss later mean field theory does in fact give the correct critical exponents in high enough space dimension d 4 for the Ising model, which may or may not be reassuring!). 63