Group 14 elements in the Cmcm phase with a direct band structure for photoelectric application

Q Fan, Y Sun, Y Zhao, Y Song, S Yun - Physica Scripta, 2022 - iopscience.iop.org
This work presents two novel group 14 element allotropes, oC24 Si 24 and oC24 Ge 24, and
the physical properties of oC24 C 24, oC24 Si 24, and oC24 Ge 24 are studied in detail by …

Controlling the thermoelectric power of silicon–germanium alloys in different crystalline phases by applying high pressure

NV Morozova, IV Korobeinikov, NV Abrosimov… - …, 2020 - pubs.rsc.org
Silicon, germanium and their alloys are classical semiconductors that play an important role
in fundamental sciences and are the basis for modern microelectronics, optoelectronics …

[HTML][HTML] Direct and quasi-direct band gap silicon allotropes with low energy and strong absorption in the visible for photovoltaic applications

W Zhang, C Chai, Q Fan, Y Song, Y Yang - Results in Physics, 2020 - Elsevier
Four new sp 3-hybridized silicon allotropes (Si 10, Si 14, Si 20-I, and Si 20-II) in the space
groups of P2 1/m and P2/m were developed in this study. Their values for properties related …

New candidate to reach Shockley–Queisser limit: The DFT study of orthorhombic silicon allotrope Si (oP32)

AS Oreshonkov, EM Roginskii, VV Atuchin - Journal of Physics and …, 2020 - Elsevier
In the present study, the unit cell parameters and atomic coordinates are predicted for the
Pbcm orthorhombic structure of Si (oP32) modification. This new allotrope of silicon is …

[HTML][HTML] Theoretical investigation of nitrogen-vacancy defects in silicon

MS Potsidi, N Kuganathan, SRG Christopoulos… - AIP Advances, 2022 - pubs.aip.org
Theoretical investigation of nitrogen-vacancy defects in silicon | AIP Advances | AIP Publishing
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The CsCs and CsCsV Defects in Silicon: Density Functional Theory Calculations

N Kuganathan, EN Sgourou, A Chroneos, CA Londos - Silicon, 2024 - Springer
Carbon-related defects in silicon (Si) are commonly introduced during crystal growth via the
Czochralski method and processing. They can play an important role in affecting the …

[HTML][HTML] Zeolite framework silicon allotropes with direct band gap

Y Song, C Chai, Q Fan, W Zhang, Y Yang - Arabian Journal of Chemistry, 2022 - Elsevier
It is a significant issue in the field of semiconductor devices and optoelectronic devices to
find silicon allotropes with high mobility, direct band gap and high light absorption to replace …

[HTML][HTML] Isovalent dopant-vacancy clusters in silicon: Density functional theory calculations

N Kuganathan, EN Sgourou, A Chroneos… - Physica B: Condensed …, 2024 - Elsevier
Isovalent dopants (D) incorporated in the silicon (Si) lattice can readily associate with
vacancies to form dopant-vacancy pairs. Theoretical and experimental studies have shown …

[HTML][HTML] Nitrogen-vacancy defects in germanium

N Kuganathan, RW Grimes, A Chroneos - AIP Advances, 2022 - pubs.aip.org
While nitrogen doping has been investigated extensively in silicon, there is only limited
information on its interaction with vacancies in germanium, despite most point defect …

[HTML][HTML] Prediction of a new direct-gap silicon phase: T36 silicon

CX Zhao, Y Huang, JQ Wang, CY Niu, Y Jia - Physics Letters A, 2019 - Elsevier
Elemental silicon plays an extremely important role in technologically relevant fields. Owing
to its abundance, silicon is the preferred solar-cell materials in spite of the fact that many …