Related papers: Theoretical study of metal borides stability
Electronic properties of silicon-based clathrates can be tuned by boron incorporation into the silicon cage network. Sodium borosilicides clathrate outstands with uncommon stoichiometry and expected metallic properties, in contrast to other…
In nanoparticulate phase-separating electrodes, phase separation inside the particles can be hindered during their charge/discharge cycles even when a thermodynamic driving force for phase separation exists. In such cases, particles may…
Elucidating the polymorphism of transition metal dichalcogenide layers and the interplay between structure and properties is a key challenge for the application of these materials. We identify a novel low energy metastable phase of…
Several statistical mechanical theories predict that colloidal suspensions of highly charged macroions and monovalent microions can exhibit unusual thermodynamic phase behavior when strongly deionized. Density-functional, extended…
We fabricated an asymmetric nanoscale SQUID consisting of one nanobridge weak link and one Dayem bridge weak link. The current phase relation of these particular weak links is characterized by multivaluedness and linearity. While the latter…
The recently discovered superconductivity in MgB2 has captured world attention due to its simple crystal structure and relatively high superconducting transition temperature Tc=39K. It appears to be generally accepted that it is…
The presence or absence of topologically-produced edge states of a crystal are robust to disorder; their stability in the presence of decay is less clear. For topologically nontrivial bosonic systems with finite particle lifetimes, such as…
Upper main sequence stars, white dwarfs and neutron stars are known to possess stable, large-scale magnetic fields. Numerical works have confirmed that stable MHD equilibria can exist in non-barotropic, stably stratified stars. On the other…
The lithium-carbon binary system possesses a broad range of chemical compounds, which exhibit fascinating chemical bonding characteristics that give rise diverse and technologically important properties. While lithium carbides with various…
Using a carefully justified development of Debye-Huckel theory for highly asymmetric electrolytes, one finds that a region of expanded phase instability, or miscibility gap, can appear for charge-stabilised colloidal suspensions at high…
The purpose of the study is to further investigate the classical Gibbs analysis of the heterogeneous system "stressed crystal - melt." It is demonstrated that each equilibrium configuration is stable with respect to a special class of…
Rechargeable lithium, sodium, and aluminum metal-based batteries are among the most versatile platform for high-energy, cost effective electrochemical energy storage. Non-uniform metal deposition and dendrite formation on the negative…
Light alkali metals have usually been considered as simple metals due to their monovalency and high conductivity. In these metals ionic pseudopotentials are weak and the nearly free electron model (NFE) becomes quite accurate at normal…
Common substitutional isovalent semiconductor alloys usually form disordered metastable phases with positive excess formation enthalpies ({\Delta}H). In contrast, monolayer alloys of transition metal dichalcogenides (TMDs) MX2 (M = Mo, W; X…
We present a linear stability analysis of a planar metal electrode during steady electrodeposition. We extend the previous work of Sundstrom and Bark by accounting for the extended space-charge density, which develops at the cathode once…
Magnetic fields in upper main-sequence stars, white dwarfs, and neutron stars are known to persist for timescales comparable to their lifetimes. From a theoretical perspective this is problematic, as it can be shown that simple magnetic…
In this letter, we describe the stabilization of indium antimonide (InSb) in the high-pressure orthorhombic phase (InSb-III) at ambient conditions. Until now, InSb-III has only been observed above 9 GPa, or at around 3 GPa as a metastable…
In a pressure-temperature (P-T) diagram for synthesizing IrTe2 compounds, the well-studied trigonal (H) phase with the CdI2-type structure is stable at low pressures. The superconducting cubic (C) phase can be synthesized under higher…
Structural phase transitions in the organic inorganic metal halide perovskites are driven via rearrangement of methylammonium cation and distortion in the PbX6 octahedra. Compositional tuning is usually incorporated for suppression of the…
It is widely believed that the origin of a significant cause for the voltage and capacity fading observed in lithium (Li)-ion batteries is related to structural modifications occurring in the cathode material during the Li-ion…