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Metallic Solids

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Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
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Solids in which the atoms, ions, or molecules are arranged in a definite repeating pattern are known as crystalline solids. Metals and ionic compounds typically form ordered, crystalline solids. A crystalline solid has a precise melting temperature because each atom or molecule of the same type is held in place with the same forces or energy. Amorphous solids or non-crystalline solids (or, sometimes, glasses) which lack an ordered internal structure and are randomly arranged. Substances that...

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Spark Plasma Sintering Apparatus Used for the Formation of Strontium Titanate Bicrystals

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Creating new layered structures at high pressures: SiS₂.

Dušan Plašienka¹, Roman Martoňák¹, Erio Tosatti^2,3

¹Department of Experimental Physics, Comenius University, Mlynská Dolina F2, 842 48 Bratislava, Slovakia.

Scientific Reports

|November 26, 2016

Summary

This summary is machine-generated.

Silicon disulfide (SiS2) exhibits a novel layered structure under high pressure, stable up to 100 GPa. This semiconducting material shows potential for exfoliation into 2D materials.

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$Synthesis and Microdiffraction at Extreme Pressures and Temperatures$

Synthesis and Microdiffraction at Extreme Pressures and Temperatures

Published on: October 7, 2013

Area of Science:

Materials Science
Condensed Matter Physics
Computational Chemistry

Background:

Layered materials are gaining interest for their unique physical, electronic, and frictional properties.
Silicon disulfide (SiS2) is isoelectronic to SiO2, CO2, and CS2, with known phases exhibiting 1D, 2D, and 3D structures up to 6 GPa.

Purpose of the Study:

To investigate the structural and electronic evolution of SiS2 under high pressure using advanced computational methods.
To explore the stability and properties of SiS2 phases up to 100 GPa.

Main Methods:

Highly predictive ab initio calculations.
Evolutionary structure search algorithms.
Molecular dynamics simulations.

Main Results:

A stable CdI2-type layered structure with octahedral coordination (space group P-3m1) emerges between 4 GPa and at least 100 GPa.
The material transitions from a semiconductor with a 2 eV band gap at 10 GPa to a metallic state around 40 GPa.
Phonon spectra indicate dynamical stability of the layered phase, suggesting potential recovery at ambient pressure.

Conclusions:

The predicted layered structure of SiS2 under pressure is robust and dynamically stable.
Isolated SiS2 monolayers are also dynamically stable, indicating potential for exfoliation into 2D materials.