Using both recently developed cluster-algorithm and histogram methods, we have carried out a high-resolution Monte Carlo study of static critical properties of classical ferromagnetic Heisenberg models. Extensive Monte Carlo simulations were performed at several temperatures in the critical region, using an improved cluster-updating scheme, on L\ifmmode\times\else\texttimes\fi{}L\ifmmode\times\else\texttimes\fi{}L simple-cubic and body-centered-cubic systems with L\ensuremath{\le}40. Thermodynamic quantities as a function of temperature in the vicinity of the critical point were obtained by an optimized multiple-histogram method, and the critical temperature and static critical exponents were extracted using finite-size scaling. Our best estimates for the inverse critical temperatures are 0.693 035(37) for the simple-cubic system and 0.486 798(12) for the body-centered-cubic system. Estimated static critical exponents for both systems agree with each other within their respective error bars, and the mean estimates \ensuremath{\nu}=0.7048(30) and \ensuremath{\gamma}=1.3873(85) are also in excellent agreement with field-theoretic predictions 0.705(3) and 1.386(4).
Using extensive Monte Carlo simulations, we study the equilibrium properties of the simple-cubic, classical Heisenberg ferromagnet. We employ very long runs for L\ifmmode\times\else\texttimes\fi{}L\ifmmode\times\else\texttimes\fi{}L lattices to obtain high-precision data for the magnetization probability distribution. Using finite-size scaling for L\ensuremath{\le}24 and an optimized multiple-histogram data analysis, we obtain an accurate value of the inverse critical temperature J/
kBTc=0.6929\ifmmode\pm\else\textpm\fi{}0.0001, which is higher than previously accepted estimates. Calculated values of various static exponents are in excellent agreement with renormalization-group and \ensuremath{\epsilon}-expansion predictions.
A detailed series-extrapolation investigation of some critical properties ($T\ensuremath{\rightarrow}{T}_{c}+$) of the Heisenberg model is presented. Systematic use is made of ratio and Pad\'e-approximant techniques, some of the latter being new. Attention is confined to those nearest-neighbor and order-two equivalent-neighbor models which are based on the simple cubic, body-centered cubic, and face-centered cubic lattices. For the face-centered cubic nearest-neighbor classical Heisenberg model, the following estimates are obtained for familiar critical exponents: $\ensuremath{\alpha}=0, \ensuremath{-}\frac{1}{8}<~{\ensuremath{\alpha}}_{s}<~\ensuremath{-}\frac{1}{16}$, $\ensuremath{\gamma}=1.375\ifmmode\pm\else\textpm\fi{}0.002$, $0.6875<~\ensuremath{\nu}<~0.7125$, $0<~\ensuremath{\eta}<~0.07$. Estimates for $\ensuremath{\gamma}$ are also obtained for the other nearest-neighbor and equivalent-neighbor classical Heisenberg models, and it is conjectured that $\ensuremath{\gamma}=1\frac{3}{8}$ may be the exact result in all the cases considered. For the face-centered cubic order-two equivalent-neighbor spin-\textonehalf{} Heisenberg ferromagnet, it is estimated that $\ensuremath{\gamma}=1.3744\ifmmode\pm\else\textpm\fi{}0.0008$. A similar but less precise result is found for the corresponding simple cubic model, and the spin-\textonehalf{} nearest-neighbor susceptibility series are briefly examined. It is suggested that consideration should be given to the possibility that for ferromagnetic Heisenberg interactions $\ensuremath{\gamma}$ has the same value
183 irrespective of spin and the particular three-dimensional nearest-neighbor or finite-order equivalent-neighbor model considered. Other quantities estimated include various Curie points and singularity amplitudes and the critical values of certain thermodynamic functions. Some attention is given to the simple classical Heisenberg antiferromagnet.
The static critical properties of classical, isotropic Heisenberg ferromagnets have been studied numerically. Using an improved cluster algorithm we performed extensive Monte Carlo simulations on L×L×L simple cubic and body-centered cubic systems with L≤40 over a temperature range covering the critical region. Temperature dependences of thermodynamic quantities were determined with an optimized multiple-histogram method, and both critical temperatures and critical exponents were extracted from finite-size scaling of several different thermodynamic quantities. It was found that within their respective error bars the critical exponents for both ferromagnets agree with each other and with field theoretical predictions.
A transfer-matrix Monte Carlo technique is developed to compute the free energy of three-dimensional, classical Heisenberg ferromagnets. From the free energy of systems with periodic and antiperiodic boundary conditions, helicity moduli are calculated. From these the critical couplings for simple-cubic (sc) and face-centered-cubic lattices are estimated by use of finite-size scaling. For the simple-cubic lattice, the critical dimension of the surface magnetization is estimated with standard Monte Carlo methods, yielding a result in excellent agreement with the \ensuremath{\epsilon}-expansion work of Diehl and N\"usser.
In recent years there have been many measurements of the scaling-law equation of state for different materials, and the "scaling function" so obtained has generally been fit by an empirical equation involving the selection of several adjustable parameters. We propose a method for calculating, directly from high-temperature series expansions, the function
h(x) that determines the scaling-law equation of state $H={M}^{\ensuremath{\delta}}h(x)$. Previously,
h(x) has been calculated only for the
S=21 Ising model, but the method is not generalizable to the case of the Heisenberg model because it relies upon the use of low-temperature expansions as well, and these are not known for the Heisenberg model. First we calculate
h(x) for the Ising model (bcc, fcc, and simple cubic lattices) in order to assess the utility and credibility of our method. Our Ising model
h(x) agrees well with the previous calculation that used both high-and low-temperature expansions. Next we calculate
h(x) in its entire region of definition for the
S=21 Heisenberg model (fcc and bcc lattices) and the $S=\ensuremath{\infty}$ Heisenberg models (fcc lattice), where
S denotes the spin quantum number. The accuracy of our resulting expressions is limited by the finite number of known terms in the corresponding high-temperature series expansions, but it is generally of the order of a few percent. In Paper II the scaling functions calculated here are compared with experiment and with the predictions of the universality hypothesis.