# Infinite family of bc8 -like metastable phases in silicon

@article{Dmitrienko2020InfiniteFO,
title={Infinite family of
bc8
-like metastable phases in silicon},
author={Vladimir E. Dmitrienko and Viacheslav A. Chizhikov},
journal={Physical Review B},
year={2020}
}
• Published 23 December 2019
• Physics
• Physical Review B
We show that new silicon crystalline phases, observed in the experiment with the laser-induced microexplosions in silicon crystals [Rapp et al., Nat. Commun. 6, 7555 (2015)], are all superstructures of a disordered high-symmetry phase with $Ia\overline{3}d$ cubic space group, as well as known for many years phases $bc8$ (Si-III) and $r8$ (Si-XII). The physics of this phenomenon is rather nontrivial: The $bc8$-like superstructures appear as regularly ordered patterns of switchable atomic strings…
4 Citations

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## References

SHOWING 1-10 OF 50 REFERENCES

### Experimental evidence of new tetragonal polymorphs of silicon formed through ultrafast laser-induced confined microexplosion

• Materials Science
Nature communications
• 2015
It is demonstrated that confined microexplosions in silicon produce several metastable end phases, including bt8 and st12, which have been predicted theoretically previously, but have not been observed in nature or in laboratory experiments.

### Icosahedral order and disorder in semiconductors

• Physics
• 1999
Hidden icosahedral symmetry of tetrahedral interatomic bonds is found in the BC8-Ia3 phase of silicon and germanium (75% of all bonds are directed almost exactly along fivefold icosahedral axes). It

### Thermal evolution of the metastable r8 and bc8 polymorphs of silicon

• Materials Science
• 2015
The kinetics of two metastable polymorphs of silicon under thermal annealing was investigated. These phases with body-centered cubic bc8 and rhombohedral r8 structures can be formed upon pressure

### Exotic structures of tetrahedral semiconductors

• Materials Science
• 1995
Recent experimental and theoretical studies of exotic forms of tetrahedrally coordinated semiconductors are reviewed. These unusual phases are synthesized as long-lived metastable forms of the

### High-pressure phases of group IV and III-V semiconductors

The currently known structures and properties of group?IV elements and III-V compounds at high pressure are reviewed. Structural properties of various phases, as determined by experimental

### Thermal evolution of the indentation-induced phases of silicon

• Materials Science
Journal of Applied Physics
• 2019
Novel phases of Si that are predicted to have industrially desirable properties can be recovered after indentation-induced pressure. However, the thermal stability of these phases is not well

### BC8 Silicon (Si-III) is a Narrow-Gap Semiconductor.

• Physics, Materials Science
Physical review letters
• 2017
It is demonstrated that BC8-Si is a direct band gap semiconductor with a very small energy gap and moderate carrier concentration and mobility at room temperature, based on far- and midinfrared optical spectroscopy, temperature-dependent electrical conductivity, Seebeck and heat capacity measurements.

### Kinetic origin of divergent decompression pathways in silicon and germanium.

• Chemistry
Physical review letters
• 2013
A body-centered tetragonal structure in I4(1)/a (C(4h)(6)) symmetry is identified as a precursory state of the BC8 Si phase formed via a double cell bond-rotation mechanism with a low kinetic barrier andKinetics play a central role in selecting the decompression pathway in Ge via a trinary cell Bond-twisting reconstruction process toward the ST12 Ge phase.

### \textit{Ab initio} study of the optical properties of Si-XII

• Physics
• 2008
We present a first-principles calculation of the optical excitation spectrum of Si-XII, a high-pressure, metastable phase of silicon in the R8 structure. Recent calculations of the quasiparticle