相关论文: Oxygen disorder in ice probed by X-ray Compton sca…
A rich inventory of complex organic molecules (COMs) has been observed in high abundances in the gas phase toward Class 0 protostars. These molecules are suggested to be formed in ices and sublimate in the warm inner envelope close to the…
Order-disorder processes fundamentally determine the structure and properties of many important oxide systems for energy and computing applications. While these processes have been intensively studied in bulk materials, they are less…
We study the equilibrium and non-equilibrium properties of strongly interacting bosons on a lattice in presence of a random bounded disorder potential. Using a Gutzwiller projected variational technique, we study the equilibrium phase…
Contrary to traditional approaches, high entropy oxides (HEOs) strategically employ cationic disorder to engineer tunable functionalities. This disorder, stemming from multiple elements at the same crystallographic site, disrupts local…
\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…
A model consisting of oxygen-occupied and -vacant chains is considered, with repulsive first and second nearest-neighbor interactions V1 and V2, respectively. The statistical mechanics and the diffraction spectrum of the model is solved…
Despite more than half a century of studies in heavy-fermion compounds, a full understanding of the various possible magnetic ordering phenomena is still far from complete. Some heavy-fermion materials show so-called hidden-order phases,…
The statistical properties of physical systems in thermal equilibrium are blatantly different from their far-from-equilibrium counterparts. In the latter, fluctuations often dominate the dynamics and might cluster in ordered patterns in the…
We present a theoretical study of the impact of oxygen diffusion in oxide crystals on metal dopants ionic state and the conduction type under thermal equilibrium. Oxygen vacancy formation acting as a shallow, double-electronic donor is…
We have performed a single crystal neutron scattering experiment on Ce0.7La0.3B6 to investigate the order parameter of phase IV microscopically. Below the phase transition temperature 1.5 K of phase IV, weak but distinct superlattice…
The ice giant planets Uranus and Neptune are assumed to contain large amounts of planetary ices such as water, methane, and ammonia. The properties of mixtures of such ices at the extreme pressures and temperatures of planetary interiors…
We map the high-pressure phase diagram of nitrogen hydrate up to 16 GPa at room temperature by combining neutron diffraction, Raman spectroscopy, and crystal structure prediction. We reveal a rich sequence of structural transformations,…
Order-disorder transitions are widely explored in various vortex structures in condensed matter physics, i.e., in the type-II superconductors and Bose-Einstein condensates. In this study, we have investigated the ordering of the polar…
Complex organic molecules (COMs) have been identified in different environments in star- forming regions. Laboratory studies show that COMs form in the solid state, on icy grains, typically following a non-energetic (atom-addition) or…
The energetics of Schottky defects in 123 cuprate superconductor series, $\rm REBa_2Cu_3O_7$ (where RE = lanthandies) and $\rm YAE_2Cu_3O_7$ (AE = alkali-earths), were found to have unusual relations if one considers only the volumetric…
We consider simulations of Wigner crystals interacting with random quenched disorder in the presence of thermal fluctuations. When quenched disorder is absent, there is a well defined melting temperature determined by the proliferation of…
In this work, we focus on the study of radiation induced desorption processes that occurred in acetonitrile ice irradiated by broadband X-rays (6 eV to 2 keV) monitored by FTIR spectroscopy at different radiation fluences. In a previous…
Both quantum phase transitions and thermodynamic phase transitions are probably induced by fluctuations, yet the specific mechanism through which fluctuations cause phase transitions remains unclear in existing theories. This paper…
We observe signatures of disorder-induced order in 1D XY spin chains with an external, site-dependent uni-axial random field within the XY plane. We numerically investigate signatures of a quantum phase transition at T=0, in particular an…
Quantum coherence and phase transitions are studied in a finite one-dimensional Bose--Hubbard model using exact diagonalization under thermal fluctuations, a Stark potential, and disorder. The condensate fraction, superfluid fraction,…