Related papers: First-principles modeling of multferroic RMn$_2$O$…
An effective Hamiltonian for the ferroelectric transition in PbTiO3 is constructed from first-principles density-functional-theory total-energy and linear-response calculations through the use of a localized, symmetrized basis set of…
First-order phase transitions in many-fermion systems are not detected in the susceptibility analysis of common renormalization-group (RG) approaches. Here we introduce a counterterm technique within the functional renormalization-group…
The crystal structures and phonon spectra of orthorhombic cadmium titanate with the $Pbnm$ structure and of its two possible ferroelectrically distorted phases with $Pbn2_1$ and $Pb2_1m$ space groups were calculated from first principles…
We report the observation of a magnetic polarization of the O\,$2p$-states in YMn$_2$O$_5$ through the use of soft X-ray resonant scattering at the oxygen $K$-edge. Remarkably, we find that the temperature dependence of the integrated…
Neutron scattering studies of single-crystal LiNiPO$_4$ reveal a spontaneous first-order commensurate-incommensurate magnetic phase transition. Short- and long-range incommensurate phases are intermediate between the high temperature…
We discuss a simple phenomenological Landau theory of phase transitions with two coupled single-component order parameters and compare the results with available experimental data. The model corresponds to the case of a ferroic system, in…
First-principles calculations, in combination with the four-state energy mapping method, are performed to extract the magnetic interaction parameters of multiferroic BiFeO$_3$. Such parameters include the symmetric exchange (SE) couplings…
In this paper, we investigate the physical properties of the type II multiferroic GdMn$_2$O$_5$ material by means of neutrons scattering, electric polarization and magnetization measurements. A complex $(T,H)$ phase diagram shows up, with…
The magnetic phases of hexagonal perovskites RMnO_3 (R=Ho, Er, Tm, Yb, Sc, Y) are analysed using group theory and the Landau theory of phase transitions. The competition between various magnetic order parameters is discussed in the context…
Ultrathin magnetic films can be modeled as an anisotropic Heisenberg model with long range dipolar interactions. It is believed that the phase diagram presents three phases: A ordered ferromagnetic phase (I), a phase characterized by a…
Using an effective Hamiltonian parametrized from first principles, Monte Carlo simulations are performed in order to study the piezoelectric response of BaTiO3 in the ferroelectric tetragonal phase as a function of temperature. The effect…
The significance of thermal fluctuations on nucleation in structural first-order phase transitions has been examined. The prototype case of martensitic transitions has been experimentally investigated by means of acoustic emission…
Magnetoelectric multiferroics are key materials for next-generation spintronic devices due to their entangled magnetic and ferroelectric properties. Spiral multiferroics possess ferroelectric polarization and are particularly promising for…
High resolution ultrasonic velocity measurements have been used to determine the temperature -- magnetic-field phase diagram of the monoclinic multiferroic CuO. A new transition at TN3 = 230 K, corresponding to an intermediate state between…
The question of whether one can systematically identify (previously unknown) ferroelectric phases of a given material is addressed, taking hafnia (HfO$_2$) as an example. Low free energy phases at various pressures and temperatures are…
Ultrathin magnetic films can be modeled as an anisotropic Heisenberg model with long-range dipolar interactions. It is believed that the phase diagram presents three phases: An ordered ferromagnetic phase I, a phase characterized by a…
The low-temperature ferroelectric polarization of multiferroic $YMn_2O_5$ is completely reversed at a critical pressure of 10 kbar and the phase transition from the incommensurate to the commensurate magnetic phase is induced by pressures…
The spin-1/2 Hamiltonian for two coupled isosceles Heisenberg triangles, which is well suited for describing the V$_6$-type magnetic molecules, is studied by exact diagonalization. The quantum phase transition diagram, at zero temperature,…
Optically-induced phase transitions of the manganite $\rm Pr_{1/3}Ca_{2/3}MnO_3$ have been simulated using a model Hamiltonian, that captures the dynamics of strongly correlated charge, orbital, lattice, and spin degrees of freedom. Its…
The commensurate and incommensurate magnetic structures of the magnetoelectric system YMn$_{2}$O$_{5}$, as determined from neutron diffraction, were found to be spin-density waves lacking a global center of symmetry. We propose a model,…