Theoretical study of the electronic features of Silicon-Carbon crystal as a semiconductor Using Quantum Espresso-Reference-Cited by-同舟云学术

Theoretical study of the electronic features of Silicon-Carbon crystal as a semiconductor Using Quantum Espresso

Published:2022-08-11 Issue: Volume: Page:
ISSN:
Container-title:
language:
Short-container-title:

Author:

Ayoubi-Chianeh Mojgan¹

Affiliation:

1. Tarbiat Modares University

Abstract

Abstract In this research, quantum simulations are applied to determine the electronic features of the Silicon-Carbon (SiC) crystal. The band structure (BS), density of states (DOS), k-resolved DOS, and convergence calculations are conducted for the optimized SiC, using the plane-wave (PW) method as implemented in Quantum Espresso (QE) program. The calculated values of the band gap and Fermi energy show the values of 0.75 and 9.80 eV, respectively. Therefore, our scrutinized SiC crystal appears as a notable semiconductor that can promise a new generation of solar cells.

Publisher

Research Square Platform LLC

Reference16 articles.

1. 1. Wacker A, Fysik M (2010) An introduction to the concept of band structure. Lund Univ Sweden 15:

2. 2. Zdanowicz T, Rodziewicz T, Zabkowska-Waclawek M (2005) Theoretical analysis of the optimum energy band gap of semiconductors for fabrication of solar cells for applications in higher latitudes locations. Sol Energy Mater Sol Cells 87:757–769

3. 3. Bilya MA, Sarki MU, Mundi AA (2019) Determination of the energy band gap of silicon using quantum simulation for photovoltaic applications. J Mater Sci Res Rev 4:1–6

4. 4. Edgar JH (1992) Prospects for device implementation of wide band gap semiconductors. J Mater Res 7:235–252

5. 5. Mao S, Ramabhadran R, Popovic J, Ferreira JA (2015) Investigation of CCM boost PFC converter efficiency improvement with 600V wide band-gap power semiconductor devices. In: 2015 IEEE Energy Conversion Congress and Exposition (ECCE). IEEE, pp 388–395