相关论文: Re-determination of the Pseudobinary System Li2O-M…
We report the results of the first-principles calculation on the intermediate compounds of LiBH$_4$. The stability of LiB$_3$H$_8$ and Li$_2$B$_n$H$_n (n=5-12)$ has been examined with the ultrasoft pseudopotential method based on the…
The quasi 2D electron system (q2DES) that forms at the interface between LaAlO3 and SrTiO3 has attracted much attention from the oxide electronics community. One of its hallmark features is the existence of a critical LaAlO3 thickness of 4…
We report on a narrow-linewidth cooling of $^{6}$Li atoms using the $2S_{1/2}\to 3P_{3/2}$ transition in the ultraviolet (UV) wavelength regime. By combining the traditional red magneto-optical trap (MOT) at 671 nm and the UV MOT at 323 nm,…
Evolutionary crystal structure prediction searches have been employed to explore the ternary Li-F-H system at 300 GPa. Metastable phases were uncovered within the static lattice approximation, with LiF$_3$H$_2$, LiF$_2$H, Li$_3$F$_4$H,…
We investigate the phase structure and the equation of state (EoS) for dense two-color QCD at low temperatures, $T = 40$ MeV ($32^4$ lattice) and $T = 80$ MeV ($16^4$ lattice). A rich phase structure below the pseudo-critical temperature…
A statistical numerical analysis of thermogravimetric measurements (temperature, mass variation, oxygen pressure) leads to a new equilibrium phase diagram T-P-X of the iron monoxide or w\"ustite FeOx. Three varieties or pseudo phases W1,…
Dielectric measurements at very low temperature indicate that in a glass with the eutectic composition BaO-Al$_2$O$_3$-SiO$_2$ a phase transition occurs at 5.84 mK. Below that temperature small magnetic fields of the order of 10 $\mu$T…
Ruthenium(II) polypyridine compounds often have a relatively long lived triplet metalligand charge transfer (3MLCT) state, making these complexes useful as chromophores for photoactivated electron transfer in photomolecular devices (PMDs).…
We used low-temperature synchrotron x-ray diffraction to investigate the structural phase transitions of Fe1+yTe in the vicinity of a tricitical point in the phase diagram. Detailed analysis of the powder diffraction patterns and…
Liquid-liquid equilibria phase diagrams have been determined for the systems: 2-methoxyphenol + n-decane, or + n-dodecane, or + n-tetradecane or + n-hexadecane and for 2-ethoxyphenol + n-octane, or + n-dodecane, or + n-tetradecane, or +…
We show that the valence electrons of Ba3NaRu2O9, which has a quasi-molecular structure, completely crystallize below 210 K. Using an extended Hubbard model, we show that the charge ordering instability results from long-range Coulomb…
In simulations of a water-like model (ST2) that exhibits a liquid-liquid phase transition, we test for the occurrence of a thermodynamic region in which the liquid can be modelled as a two-component mixture. We assign each molecule to one…
The B-Pt alloy system contains several Pt-rich phases exhibiting complex structures, many with partial site occupation. It also exhibits a deep (nearly 1000 degrees C) eutectic. We evaluate the ab-initio total energies of the crystalline…
We study the conductivities $\sigma$ of (i) the equilibrium isochoric state ($\sigma_{\rm is}$), (ii) the equilibrium isobaric state ($\sigma_{\rm ib}$), and also the (iii) non-equilibrium ultrafast matter (UFM) state ($\sigma_{\rm uf}$)…
Commensurability effects for nickelates have been studied by the first neutron experiments on La5/3Sr1/3NiO4. Upon cooling, this system undergoes three successive phase transitions associated with quasi-two-dimensional (2D) commensurate…
Molybdenum disulfide (MoS2) is a widely studied layered material for electronic, optical, and catalytic applications. It can host lithium ions between the van der Waals layers, which triggers a phase transition between the semiconducting 2H…
Finite-temperature phase transitions in quasi-one-dimensional quarter-filled systems are investigated by the extended Hubbard model with electron-lattice coupling. Using a quantum Monte Carlo method combined with the inter-chain mean-field…
We explore the weak-strong-coupling Bose-Fermi duality in a model of a single-channel integer or fractional quantum Hall edge state with a finite-range interaction. The system is described by a chiral Luttinger liquid with non-linear…
An atomistic study of the thermal properties of lithiated molybdenum disulfide (MoS2) is presented and an explanation for the experimentally determined anisotropic behavior of the in- and through-plane thermal conductivity is proposed.…
Phase diagrams of fully ionized binary ionic mixtures are considered within the framework of the linear mixing formalism taking into account recent advances in understanding quantum one-component plasma thermodynamics. We have followed a…