DOAJ Open Access 2021

SOME PHYSICAL PROPERTIES OF HALF-HEUSLER COMPOUND NaYSi : FIRST-PRINCIPLES STUDY

Yasemin Çiftci

Lihat Sumber DOI

Abstrak

The structural, electronic, elastic and optic properties of NaYSi formed in the half-Heusler structure are studied by using ab-initio density-functional theory. The calculated equilibrium lattice constants are compaired with the available experimental and theoretical data. The elastic parameters have calculated. Computed elastic results prove that this compound were mechanically stable. The band gap of this compound predicted to be semiconductor. Further the phonon spectra and optical analysis have been obtained for the energy range of 0–40 eV.

Topik & Kata Kunci

Engineering (General). Civil engineering (General)

Penulis (1)

Yasemin Çiftci

Format Sitasi

APA MLA BibTeX

Çiftci, Y. (2021). SOME PHYSICAL PROPERTIES OF HALF-HEUSLER COMPOUND NaYSi : FIRST-PRINCIPLES STUDY. https://doi.org/10.54559/jauist.1039136

Akses Cepat

Lihat di Sumber doi.org/10.54559/jauist.1039136

Informasi Jurnal

Tahun Terbit: 2021
Sumber Database: DOAJ
DOI: 10.54559/jauist.1039136
Akses: Open Access ✓