Related papers: Stability of ferroelectric ice
Context. The chemical evolution of formamide (HCONH2), a molecule of astrobiological interest that has been tentatively identified in interstellar ices and in cometary coma, has been studied in laboratory under simulated astrophysical…
Ab-initio results for structural and electronic properties of NaCl-type FeN are presented in a framework of plane-wave and ultrasoft pseudopotentials. Competition among different magnetic ordering is examined. We find the ferromagnetic…
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…
A comparative study of the dielectric properties and electric polarization of multiferroics GdMn2O5 and Gd0.8Ce0.2Mn2O5 has been carried out in the temperature range from 5 up to 300 K. The polarization properties in the ferroelectric state…
We find that the true ground state of the dipolar spin ice system under [110]-magnetic fields is the ``Q=X'' structure, which is consistent with both experiments and Monte Carlo simulations. We then perform a Monte Carlo simulation to…
Artificial ice systems have been designed to replicate paradigmatic phenomena observed in frustrated spin systems. Here we present a detailed theoretical analysis based on Monte-Carlo simulations of the low energy phases in an artificial…
Artificial spin ice arrays of micromagnetic islands are a means of engineering additional energy scales and frustration into magnetic materials. Despite much progress in elucidating the properties of such arrays, the `spins' in the systems…
\textit{Ab initio} random structure searching based on density functional theory is used to determine the ground-state structures of ice at high pressures. Including estimates of lattice zero-point energies, ice is found to adopt three…
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…
We report the magneto-dielectric response of single crystals of the spin-ice compound Dy2Ti2O7 down to 0.26 K. The dielectric constant under zero magnetic field exhibits a clear decrease reflecting the development of the local two-spins-in,…
We report structural, susceptibility and specific heat studies of stoichiometric and off-stoichiometric poly- and single crystals of the A-site spinel compound FeSc2S4. In stoichiometric samples no long-range magnetic order is found down to…
We report the structure, magnetic property and spin polarization of CoFeMnGe equiatomic quaternary Heusler alloy. The alloy was found to exist in the L21 structure with considerable amount of DO3 disorder. Thermal analysis result indicated…
A ferromagnetic insulating (FM-I) state in Pr0.75Ca0.25MnO3 has been studied by neutron scattering experiment and theoretical calculation. The insulating behavior is robust against an external magnetic field, and is ascribed to neither the…
The spin ice system Dy$_{2}$Ti$_{2}$O$_{7}$ exhibits strong frequency-dependent spin-freezing at $\sim$ 16 K temperature. Although it has been a matter of discussion for years, the origin of this unusual spin freezing is still unknown. The…
The thermodynamic stability of structural isomers of $\mathrm{C}_{24}$, $\mathrm{C}_{26}$, $\mathrm{C}_{28}$ and $\mathrm{C}_{32}$, including fullerenes, is studied using density functional and quantum Monte Carlo methods. The energetic…
We study the low-temperature behaviour of spin ice when uniaxial pressure induces a tetragonal distortion. There is a phase transition between a Coulomb liquid and a fully magnetised phase. Unusually, it combines features of discontinuous…
We investigated the mixed-stack charge-transfer crystal, N,N'-dimethylphenazine-TCNQ (M$_2$P-TCNQ), which is polar at room temperature and just at the neutral-to-ionic interface (ionicity $\rho \approx 0.5$). We detect the typical…
We study a frustrated dipolar array recently manufactured lithographically by Wang {\em et al.} [Nature {\bf 439}, 303 (2006)] in order to realize the square ice model in an artificial structure. We discuss models for thermodynamics and…
Using density functional molecular dynamics free energy calculations, we show that the body-centered-cubic phase of superionic ice previously believed to be the only phase is in fact thermodynamically unstable compared to a novel phase with…
The Ce$^{3+}$ pseudospin-1/2 degrees of freedom in Ce$_2$Zr$_2$O$_7$ possess both dipolar and octupolar character which enables the possibility of novel quantum spin liquid ground states in this material. Here we report new muon spin…