SOME PHYSICAL PROPERTIES OF HALF-HEUSLER COMPOUND NaYSi : FIRST-PRINCIPLES STUDY
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 hav...
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Amasya University
2021-12-01
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| Series: | Journal of Amasya University the Institute of Sciences and Technology |
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| Online Access: | https://dergipark.org.tr/en/download/article-file/2142435 |
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| author | Yasemin Çiftci |
| author_facet | Yasemin Çiftci |
| author_sort | Yasemin Çiftci |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-000f4f463fc741e389f6a2dd7e7f2f2d |
| institution | OA Journals |
| issn | 2717-8900 |
| language | English |
| publishDate | 2021-12-01 |
| publisher | Amasya University |
| record_format | Article |
| series | Journal of Amasya University the Institute of Sciences and Technology |
| spelling | doaj-art-000f4f463fc741e389f6a2dd7e7f2f2d2025-08-20T02:17:36ZengAmasya UniversityJournal of Amasya University the Institute of Sciences and Technology2717-89002021-12-0122324110.54559/jauist.103913636SOME PHYSICAL PROPERTIES OF HALF-HEUSLER COMPOUND NaYSi : FIRST-PRINCIPLES STUDYYasemin Çiftci0https://orcid.org/0000-0003-1796-0270Gazı UniversityThe 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.https://dergipark.org.tr/en/download/article-file/2142435yarı-heuslerelektronikelastikoptik.half-heuslerelectronicelasticoptic |
| spellingShingle | Yasemin Çiftci SOME PHYSICAL PROPERTIES OF HALF-HEUSLER COMPOUND NaYSi : FIRST-PRINCIPLES STUDY Journal of Amasya University the Institute of Sciences and Technology yarı-heusler elektronik elastik optik. half-heusler electronic elastic optic |
| title | SOME PHYSICAL PROPERTIES OF HALF-HEUSLER COMPOUND NaYSi : FIRST-PRINCIPLES STUDY |
| title_full | SOME PHYSICAL PROPERTIES OF HALF-HEUSLER COMPOUND NaYSi : FIRST-PRINCIPLES STUDY |
| title_fullStr | SOME PHYSICAL PROPERTIES OF HALF-HEUSLER COMPOUND NaYSi : FIRST-PRINCIPLES STUDY |
| title_full_unstemmed | SOME PHYSICAL PROPERTIES OF HALF-HEUSLER COMPOUND NaYSi : FIRST-PRINCIPLES STUDY |
| title_short | SOME PHYSICAL PROPERTIES OF HALF-HEUSLER COMPOUND NaYSi : FIRST-PRINCIPLES STUDY |
| title_sort | some physical properties of half heusler compound naysi first principles study |
| topic | yarı-heusler elektronik elastik optik. half-heusler electronic elastic optic |
| url | https://dergipark.org.tr/en/download/article-file/2142435 |
| work_keys_str_mv | AT yaseminciftci somephysicalpropertiesofhalfheuslercompoundnaysifirstprinciplesstudy |