Monte Carlo study of phase transitions and magnetic properties of LaMnO3

On the basis of Mean Field Approximation (MFA), Monte Carlo Simulations (MCS) and ab initio calculations we have studied the phase diagrams and magnetic properties of the bulk perovskite, LaMnO3 using Ising model Hamiltonian. It is shown that the antiferromagnetic coupling between next neighbors Mn ions is reponsible for a series of magnetic phase transitions. The transition temperature and the critical exponents obtained, in the framework of Monte Carlo simulations, using the experimental values of the exchange couplings and magnetic anisotropy are in agreement with the experimental ones. The exchange couplings deduced from ab initio calculations lead, by using Monte Carlo simulations, to a quantitative agreement with the experimental transition temperatures

Order-by-Disorder in the XY Pyrochlore Antiferromagnet Revisited

We investigate the properties of the XY pyrochlore antiferromagnet with local planar anisotropy. We find the ground states and show that the configurational ground state entropy is subextensive. By computing the free energy due to harmonic fluctuations and by carrying out Monte Carlo simulations, we confirm earlier work indicating that the model exhibits thermal order-by-disorder leading to low temperature long-range order consisting of discrete magnetic domains. We compute the spin wave spectrum and show that thermal and quantum fluctuations select the same magnetic structure. Using Monte Carlo simulations, we find that the state selected by thermal fluctuations in this XY pyrochlore antiferromagnet can survive the addition of sufficiently weak nearest-neighbor pseudo-dipolar interactions to the spin Hamiltonian. We discuss our results in relation to the Er2Ti2O7 pyrochlore antiferromagnet.Comment: 13 pages, 6 figure

Monte Carlo Simulations for the Magnetic Phase Diagram of the Double Exchange Hamiltonian

We have used Monte Carlo simulation techniques to obtain the magnetic phase diagram of the double exchange Hamiltonian. We have found that the Berry's phase of the hopping amplitude has a negligible effect in the value of the magnetic critical temperature. To avoid finite size problems in our simulations we have also developed an approximated expression for the double exchange energy. This allows us to obtain the critical temperature for the ferromagnetic to paramagnetic transition more accurately. In our calculations we do not observe any strange behavior in the kinetic energy, chemical potential or electron density of states near the magnetic critical temperature. Therefore, we conclude that other effects, not included in the double exchange Hamiltonian, are needed to understand the metal-insulator transition which occurs in the manganites.Comment: 6 pages Revtex, 8 PS figure

Monte Carlo simulations of Rb2MnF4{\rm Rb_2MnF_4}, a classical Heisenberg antiferromagnet in two-dimensions with dipolar interaction

We study the phase diagram of a quasi-two dimensional magnetic system ${\rm Rb_2MnF_4}$ with Monte Carlo simulations of a classical Heisenberg spin Hamiltonian which includes the dipolar interactions between ${\rm Mn}^{2+}$ spins. Our simulations reveal an Ising-like antiferromagnetic phase at low magnetic fields and an XY phase at high magnetic fields. The boundary between Ising and XY phases is analyzed with a recently proposed finite size scaling technique and found to be consistent with a bicritical point at T=0. We discuss the computational techniques used to handle the weak dipolar interaction and the difference between our phase diagram and the experimental results.Comment: 13 pages 18 figure

Magneto-electrostatic trapping of ground state OH molecules

We report the magnetic confinement of neutral, ground state hydroxyl radicals (OH) at a density of $\sim3\times10^{3}$ cm$^{-3}$ and temperature of $\sim$30 mK. An adjustable electric field of sufficient magnitude to polarize the OH is superimposed on the trap in either a quadrupole or homogenous field geometry. The OH is confined by an overall potential established via molecular state mixing induced by the combined electric and magnetic fields acting on the molecule's electric dipole and magnetic dipole moments, respectively. An effective molecular Hamiltonian including Stark and Zeeman terms has been constructed to describe single molecule dynamics inside the trap. Monte Carlo simulation using this Hamiltonian accurately models the observed trap dynamics in various trap configurations. Confinement of cold polar molecules in a magnetic trap, leaving large, adjustable electric fields for control, is an important step towards the study of low energy dipole-dipole collisions.Comment: 4 pages, 4 figure