First Principles Study of structural electronic and thermoelectric properties of Mo2ScAlC2

dc.contributor.authorBölen, Emre
dc.contributor.authorDeligöz, Engin
dc.contributor.authorÖzışık, Hacı
dc.contributor.authorÖzışık, Havva
dc.date.accessioned2023-12-19T07:40:05Z
dc.date.available2023-12-19T07:40:05Z
dc.date.issued2018
dc.departmentSabire Yazıcı Fen Edebiyat Fakültesi
dc.description.abstractIn this study, the structural, electronic and thermoelectric properties of belong to MAX phase, Mo2ScAlC2 are investigated by within the framework of the density-functional theory (DFT) using the plane-wave pseudopotential approach and Boltzmann transport theory as implemented within the MedeA-VASP package. We have computed the structural parameters and electronic band structure of Mo2ScAlC2. All results are in agreement with the available experimental data and other theoretical calculations. We also calculated Seebeck coefficient, electrical conductivity, and electronic thermal conductivity and discussed in detail.
dc.identifier.endpage142en_US
dc.identifier.startpage139en_US
dc.identifier.urihttps://hdl.handle.net/20.500.12451/11350
dc.language.isoen
dc.publisher(WITAM-2018)
dc.relation.ispartofThe International Congress on The World of Technology and Advanced Materials (WITAM-2018),
dc.relation.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectMo2ScAlC2
dc.subjectFirst Principles
dc.titleFirst Principles Study of structural electronic and thermoelectric properties of Mo2ScAlC2
dc.typeConference Object

Dosyalar

Orijinal paket
Listeleniyor 1 - 1 / 1
Yükleniyor...
Küçük Resim
İsim:
bolen-emre-2018.pdf
Boyut:
424.63 KB
Biçim:
Adobe Portable Document Format
Açıklama:
Tam Metin / Full Text
Lisans paketi
Listeleniyor 1 - 1 / 1
[ X ]
İsim:
license.txt
Boyut:
1.44 KB
Biçim:
Item-specific license agreed upon to submission
Açıklama: