Electronic and Optical Properties of III-V Binary 2D Semiconductors: How to Achieve High Precision from Accurate Many-Body Methods
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61988987%3A17310%2F22%3AN2302CBV" target="_blank" >RIV/61988987:17310/22:N2302CBV - isvavai.cz</a>
Alternative codes found
RIV/61988987:17310/22:A2302CBV
Result on the web
<a href="http://dx.doi.org/10.1039/D2CP04432C" target="_blank" >http://dx.doi.org/10.1039/D2CP04432C</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/D2CP04432C" target="_blank" >10.1039/D2CP04432C</a>
Alternative languages
Result language
angličtina
Original language name
Electronic and Optical Properties of III-V Binary 2D Semiconductors: How to Achieve High Precision from Accurate Many-Body Methods
Original language description
Seven hexagonal 2D materials consisting of elements of the IIIA and VA group (BN, BP, BA, AlN, GaN, GaP, and GaAs) were theoretically studied using first-principles methods. Simultaneous convergence in all principal parameters of the accurate many-body perturbational GW approach and the subsequent Bethe-Salpeter equation (BSE) was necessary to achieve precise fundamental and optical gaps, exciton binding energies, and absorbance spectra. Various convergence rates of studied properties in the case of different materials were visualized and explained. Benchmark calculations show several 2D materials from this set that strongly absorb in the visible and ultraviolet parts of the spectra, and therefore can be promising materials for (opto)electronic applications.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
<a href="/en/project/GA18-25128S" target="_blank" >GA18-25128S: Computational Materials Science of Two Dimensional Crystals and van der Waals Heterostructures</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2022
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
PHYS CHEM CHEM PHYS
ISSN
1463-9076
e-ISSN
1463-9084
Volume of the periodical
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Issue of the periodical within the volume
44
Country of publishing house
GB - UNITED KINGDOM
Number of pages
8
Pages from-to
27459-27466
UT code for WoS article
000880673500001
EID of the result in the Scopus database
2-s2.0-85142270827