Related papers: Liquid-liquid Phase transitions in silicon
We argue that there is a new liquid phase in the two-dimensional electron system in Si MOSFETs at low enough electron densities. The recently observed metal-insulator transition results as a crossover from the percolation transition of the…
The equilibrium silica liquid-liquid interface between the high-density liquid (HDL) phase and the low-density liquid (LDL) phase is examined using molecular-dynamics simulation. The structure, thermodynamics, and dynamics within the…
We perform first-principles path integral Monte Carlo (PIMC) and density functional theory molecular dynamics (DFT-MD) calculations to explore warm dense matter states of LiF. Our simulations cover a wide density-temperature range of…
Battery electrode surfaces are generally coated with electronically insulating solid films of thickness 1-50 nm. Both electrons and Li+ can move at the electrode-surface film interface in response to the voltage, which adds complexity to…
As it is known from visible light experiments, silicon under femtosecond pulse irradiation can undergo the so-called 'nonthermal melting' if the density of electrons excited from the valence to the conduction band overcomes a certain…
Using concepts from classical density functional theory (DFT) we investigate the freezing of a two-dimensional (2D) system of ultra-soft particles in a one-dimensional (1D) external potential; a phenomenon often called laser-induced…
Density-functional-theory (DFT) calculations have been performed on the Li-Si and Li-Ge systems. Lithiated Si and Ge, including their metastable phases, play an important technological r\^ole as Li-ion battery (LIB) anodes. The calculations…
We show that the existence of an intermediate phase between the Fermi liquid and the Wigner crystal phases is a generic property of the two-dimensional pure electron liqd in MOSFET's at zero temperature. The physical reason for the…
This paper investigates to identify phase transitions in condensed liquid cesium metal by considering the variation of intermolecular potential parameters \epsilon and r_m in the whole liquid range, with \epsilon being the potential…
We develop a theory for a generic instability of a Fermi liquid in dimension d>1 against the formation of a Luttinger-liquid-like state. The density of states at the Fermi level is the order parameter for the ensuing quantum phase…
In this paper we present a review on our recent experimental investigations into the phase behavior of the deeply cooled water confined in a nanoporous silica material, MCM-41, with elastic neutron scattering technique. Under such strong…
We calculate the superfluid transition temperature for a two-component 3D Fermi gas in a 1D tight optical lattice and discuss a dimensional crossover from the 3D to quasi-2D regime. For the geometry of finite size discs in the 1D lattice,…
We investigate the pressure-temperature ($p$-$T$) phase diagram of elemental lithium (Li) up to multiterapascal (TPa) pressures using ab-initio random structure search (AIRSS) and density functional theory (DFT). At zero temperature, beyond…
The relation between liquid-liquid phase transitions and waterlike density anomalies in core-softened potentials of fluids was investigated in an exactly solvable one dimensional lattice model and a in a three dimensional fluid with…
We perform density functional theory (DFT) calculations of five solid phases and the liquid phase of tin. The calculations include cold curves of the five solid phases, phonon calculations in the quasi-harmonic approximation over a range of…
Predicting solid-solid phase transitions remains a long-standing challenge in materials science. Solid-solid transformations underpin a wide range of functional properties critical to energy conversion, information storage, and thermal…
We have used the narrow $2S_{1/2} \rightarrow 3P_{3/2}$ transition in the ultraviolet (uv) to laser cool and magneto-optically trap (MOT) $^6$Li atoms. Laser cooling of lithium is usually performed on the $2S_{1/2} \rightarrow 2P_{3/2}$…
We investigate the phase behavior of a single-component system in 3 dimensions with spherically-symmetric, pairwise-additive, soft-core interactions with an attractive well at a long distance, a repulsive soft-core shoulder at an…
We study the kinetics of crystallization in deeply supercooled liquid silicon employing computer simulations and the Stillinger-Weber three body potential. The free energy barriers to crystallisation are computed using umbrella sampling…
The dielectric measurements of mesostructured silica MCM-41 with the pore diameter 3.5 nm at wettings close to maximal were carried out. The measurements were made by using the dielectric spectroscopy method at frequency interval from 25Hz…