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arXiv:cond-mat/0504173 · Physical Review E

Surface and bulk transitions in three-dimensional O(n) models

Youjin Deng, Henk W. J. Blöte, M. P. Nightingale

Published Jul 27, 2005• 86 citations
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Abstract

Using Monte Carlo methods and finite-size scaling, we investigate surface criticality in the $\mathrm{O}(n)$ models on the simple-cubic lattice with $n=1$, 2, and 3, i.e., the Ising, $XY$, and Heisenberg models. For the critical couplings we find ${K}_{\mathrm{c}}(n=2)=0.454\phantom{\rule{0.2em}{0ex}}1659$ (10) and ${K}_{\mathrm{c}}(n=3)=0.693\phantom{\rule{0.2em}{0ex}}003$ (2). We simulate the three models with open surfaces and determine the surface magnetic exponents at the ordinary transition to be ${y}_{h1}^{(\mathrm{o})}=0.7374\phantom{\rule{0.2em}{0ex}}(15)$, 0.781 (2), and 0.813 (2) for $n=1$, 2, and 3, respectively. Then we vary the surface coupling ${K}_{1}$ and locate the so-called special transition at ${\ensuremath{\kappa}}_{\mathrm{c}}(n=1)=0.502\phantom{\rule{0.2em}{0ex}}14$ (8) and ${\ensuremath{\kappa}}_{\mathrm{c}}(n=2)=0.6222$ (3), where $\ensuremath{\kappa}={K}_{1}∕K\ensuremath{-}1$. The corresponding surface thermal and magnetic exponents are ${y}_{t1}^{(\mathrm{s})}=0.715$ (1) and ${y}_{h1}^{(\mathrm{s})}=1.636$ (1) for the Ising model, and ${y}_{t1}^{(\mathrm{s})}=0.608$ (4) and ${y}_{h1}^{(\mathrm{s})}=1.675$ (1) for the $XY$ model. Finite-size corrections with an exponent close to $\ensuremath{-}1∕2$ occur for both models. Also for the Heisenberg model we find substantial evidence for the existence of a special surface transition.

DOI
10.1103/physreve.72.016128

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Using Monte Carlo methods and finite-size scaling, we investigate surface criticality in the O(n)\mathrm{O}(n)O(n) models on the simple-cubic lattice with n=1n=1n=1, 2, and 3, i.e., the Ising, XYXYXY, and Heisenberg models. For the critical couplings we find Kc(n=2)=0.4541659{K}_{\mathrm{c}}(n=2)=0.454\phantom{\rule{0.2em}{0ex}}1659Kc​(n=2)=0.4541659 (10) and Kc(n=3)=0.693003{K}_{\mathrm{c}}(n=3)=0.693\phantom{\rule{0.2em}{0ex}}003Kc​(n=3)=0.693003 (2). We simulate the three models with open surfaces and determine the surface magnetic exponents at the ordinary transition to be yh1(o)=0.7374(15){y}_{h1}^{(\mathrm{o})}=0.7374\phantom{\rule{0.2em}{0ex}}(15)yh1(o)​=0.7374(15), 0.781 (2), and 0.813 (2) for n=1n=1n=1, 2, and 3, respectively. Then we vary the surface coupling K1{K}_{1}K1​ and locate the so-called special transition at \ensuremathκc(n=1)=0.50214{\ensuremath{\kappa}}_{\mathrm{c}}(n=1)=0.502\phantom{\rule{0.2em}{0ex}}14\ensuremathκc​(n=1)=0.50214 (8) and \ensuremathκc(n=2)=0.6222{\ensuremath{\kappa}}_{\mathrm{c}}(n=2)=0.6222\ensuremathκc​(n=2)=0.6222 (3), where \ensuremathκ=K1∕K\ensuremath−1\ensuremath{\kappa}={K}_{1}∕K\ensuremath{-}1\ensuremathκ=K1​∕K\ensuremath−1. The corresponding surface thermal and magnetic exponents are yt1(s)=0.715{y}_{t1}^{(\mathrm{s})}=0.715yt1(s)​=0.715 (1) and yh1(s)=1.636{y}_{h1}^{(\mathrm{s})}=1.636yh1(s)​=1.636 (1) for the Ising model, and yt1(s)=0.608{y}_{t1}^{(\mathrm{s})}=0.608yt1(s)​=0.608 (4) and yh1(s)=1.675{y}_{h1}^{(\mathrm{s})}=1.675yh1(s)​=1.675 (1) for the XYXYXY model. Finite-size corrections with an exponent close to \ensuremath−1∕2\ensuremath{-}1∕2\ensuremath−1∕2 occur for both models. Also for the Heisenberg model we find substantial evidence for the existence of a special surface transition.
We investigate the O(4)O(4)O(4) spin model on the simple-cubic lattice by means of the Wolff cluster algorithm. Using the toroidal boundary condition, we locate the bulk critical point at coupling Kc=0.935856(2){K}_{c}=0.935\phantom{\rule{0.2em}{0ex}}856(2)Kc​=0.935856(2), and determine the bulk thermal magnetic renormalization exponents as yt=1.3375(15){y}_{t}=1.337\phantom{\rule{0.2em}{0ex}}5(15)yt​=1.3375(15) and yh=2.4820(2){y}_{h}=2.482\phantom{\rule{0.2em}{0ex}}0(2)yh​=2.4820(2), respectively. The universal ratio Q=⟨m2⟩2∕⟨m4⟩Q={⟨{m}^{2}⟩}^{2}∕⟨{m}^{4}⟩Q=⟨m2⟩2∕⟨m4⟩ is also determined as 0.9142(1). The precision of these estimates significantly improves over that of the existing results. Then, we simulate the critical O(4)O(4)O(4) model with two open surfaces on which the coupling strength K1{K}_{1}K1​ can be varied. At the ordinary transitions, the surface magnetic exponent is determined as yh1(o)=1.0202(12){y}_{h1}^{(\mathrm{o})}=1.020\phantom{\rule{0.2em}{0ex}}2(12)yh1(o)​=1.0202(12). Further, we find a so-called special surface transition at $\ensuremath{\kappa}={K}_{1}∕K\ensuremath{-}1=1.258(20)$. At this point, the surface thermal exponent yt1(s){y}_{t1}^{(\mathrm{s})}yt1(s)​ is rather close to zero, and we cannot exclude that the corresponding surface transition is Kosterlitz-Thouless-like. The surface magnetic exponent is yh1(s)=1.816(2){y}_{h1}^{(\mathrm{s})}=1.816(2)yh1(s)​=1.816(2).
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We study the special point in the phase diagram of a semi-infinite system where the bulk transition is in the three-dimensional Ising universality class. To this end we performed a finite-size-scaling study of the improved Blume-Capel model on the simple cubic lattice with two different types of surface interaction. In order to check for the effect of leading bulk corrections we also simulated the spin-1/2 Ising model on the simple cubic lattice. We accurately estimated the surface enhancement coupling at the special point of these models. We find yt1=0.718(2){y}_{{t}_{1}}=0.718(2)yt1​​=0.718(2) and yh1=1.6465(6){y}_{{h}_{1}}=1.6465(6)yh1​​=1.6465(6) for the surface renormalization group exponents of the special transition. These results are compared with previous ones obtained by using field-theoretic methods and Monte Carlo simulations of the spin-1/2 Ising model. Furthermore, we study the behavior of the surface transition near the special point, and finally we discuss films with special boundary conditions at one surface and fixed ones at the other.
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Universality of surface critical behavior with respect to surface enhancement is studied for O(n) models with n=1 (Ising), n=2 (planar rotor), and n=3 (Heisenberg) on simple-cubic lattices. Finite-size methods are employed to estimate surface critical exponents for ordinary surface criticality. In addition, it is shown that universal scaling functions, independent of surface enhancement, can be constructed with all nonuniversal features of the finite-size scaling function of the spin-spin surface correlation functions incorporated in (1) a metric factor and (2) an irrelevant scaling field associated with the surface coupling strength.
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