相关论文: Proton strings and rings in atypical nucleation of…
Ice Ih, the common form of ice in the biosphere, contains proton disorder. Its proton-ordered counterpart, ice XI, is thermodynamically stable below 72 K. However, even below this temperature the formation of ice XI is kinetically hindered…
We theoretically study the stability conditions of the ferroelectric ice of the Cmc21 structure, which has been considered, for decades, one of the most promising candidates of the low temperature proton-ordered phase of pure ice Ih. It…
We discuss the problem of proton motion in Hydrogen bond materials with special focus on ice. We show that phenomenological models proposed in the past for the study of ice can be recast in terms of microscopic models in close relationship…
It has been known since the pioneering work of Bernal, Fowler and Pauling that common, hexagonal (Ih) water ice is the archetype of a frustrated material : a proton-bonded network in which protons satisfy strong local constraints - the "ice…
We report results of long timescale adaptive kinetic Monte Carlo simulations aimed at identifying possible molecular reordering processes on both proton-disordered and ordered (Fletcher) basal plane (0001) surfaces of hexagonal ice. The…
An effective Ising model for the spin-ice type Kondo lattice model is investigated by the classical Monte Carlo simulation. We clarify the magnetic phase diagram with four phases: ice-ferro, ice-(0,0,2\pi), 32-sublattice, and all-in/all-out…
There is a new class of two-dimensional magnetic materials polymeric iron (III) acetate fabricated recently in which Fe ions form a star lattice. We study the thermodynamics of Ising spins on the star lattice with exact analytic method and…
Spin ice, a peculiar thermal state of a frustrated ferromagnet on the pyrochlore lattice, has a finite entropy density and excitations carrying magnetic charge. By combining analytical arguments and Monte Carlo simulations, we show that…
Determining the fate of the Pauling entropy in the classical spin ice material Dy$_2$Ti$_2$O$_7$ with respect to the third law of thermodynamics has become an important test case for understanding the existence and stability of ice-rule…
Spin ice is a frustrated magnetic system that at low temperatures exhibits a Coulomb phase, a classical spin liquid with topological order and deconfined excitations. This work establishes the presence of a Coulomb phase with coexisting…
We study Ising pyrochlores by means of Monte Carlo simulations. We cover a set of exchange constants ranging from the frustrated ferromagnetic case (spin-ice) to the fully-ordered "all-in--all-out" antiferromagnet in the dipolar model,…
Motivated by recent neutron scattering experiments, we study the ordering of spins in the iron-based superconductors La(O_{1-x}F_x)FeAs, assuming them in proximity to a Mott insulator in the phase diagram. The ground state of the parent…
Chemical substitution during growth is a well-established method to manipulate electronic states of quantum materials, and leads to rich spectra of phase diagrams in cuprate and iron-based superconductors. Here we report a novel and generic…
We study the dipolar spin-ice model at fixed density of single excitations, $\rho$, using a Monte Carlo algorithm where processes of creation and annihilation of such excitations are banned. In the limit of $\rho$ going to zero, this model…
A frustrated system is one whose symmetry precludes the possibility that every pairwise interaction (``bond'') in the system can be satisfied at the same time. Such systems are common in all areas of physical and biological science. In the…
Recent experiments on the spin-ice material Dy2Ti2O7 suggest that the Pauling "ice entropy", characteristic of its classical Coulombic spin-liquid state, may be lost at low temperatures [D. Pomaranski et al., Nature Phys. 9, 353 (2013)].…
We study the dynamical behavior of a square lattice Ising model with exchange and dipolar interactions by means of Monte Carlo simulations. After a sudden quench to low temperatures we find that the system may undergo a coarsening process…
The low temperature entropy of the the spin ice compounds, such as Ho$_2$Ti$_2$O$_7$ and Dy$_2$Ti$_2$O$_7$, is well described by the nearest-neighbor antiferromagnetic Ising model on the pyrochlore lattice, i.e.\ by the ``ice rules''. This…
Films of all-important compound hafnia (HfO2) can be prepared in an orthorhombic ferroelectric (FE) state that is ideal for applications, e.g. in memories or negative-capacitance field-effect transistors. The origin of this FE state remains…
Iron-substitution in hexagonal YMnO3 causes isostructural intra-lattice changes exceeding those of the lattice cell, contrary to the effects of non-magnetic B-site dopants. Magnetization M(T) evidence antiferromagnetic (AFM) ordering of the…