Year 2017, Volume 21 , Issue 6, Pages 1278 - 1285 2017-12-01

A first-principles investigation on a Half-Heusler liscpb semiconductor
Yarı-Heusler LiScPb yarıiletkeni üzerine bir ilk ilkesel araştırma

Yesim Mogulkoc [1] , Yasemin Ciftci [2]


A first-principles study of structural, elastic, electronic, vibrational, thermodynamic and optical properties of a half-Heusler (HH) LiScPb semiconductor has been reported using the plane-wave pseudo-potential technique based on density functional theory (DFT). The elastic properties are represented using second-order elastic constants. The electronic band structure calculations are obtained with partial density of states. Optical properties of HH-LiScPb semiconductor are also investigated and related parameters such as refraction index, extinction coefficient, reflectivity and loss function are determined using dielectric functions in this study. Phonon calculations have been taken into account to evaluate the stability of half-Heusler (HH) LiScPb semiconductor. Also, the system's free energy, entropy and heat capacity were investigated under increasing temperature values.

Bir ilk-ilkesel çalışması olan yarı-Heusler (HH) LiScPb yarıiletkeninin yapısal, elastik, elektronik, titreşimsel, termodinamik ve optik özellikleri yoğunluk fonksiyoneli teorisine dayanan düzlem dalga-pseudo potansiyel tekniği kullanılarak rapor edilmiştir. Elastik özellikler ikinci mertebeden elastik sabitleri kullanılarak sunulmuştur. Elektronik bant yapısı hesaplamaları kısmi durum yoğunlukları ile elde edilmiştir. Yarı-Heusler (HH) LiScPb yarıiletkeninin optiksel özellikleri araştırılmıştır ve bu çalışmada kırılma indisi, sönüm katsayısı, yansıma ve kayıp fonksiyonu dielektrik fonksiyonları kullanılarak belirlenmiştir. Yarı-Heusler (HH) LiScPb yarıiletkeninin kararlılığını değerlendirmek için fonon hesaplamaları dikkate alınmıştır. Ayrıca, sistemin serbest enerjisi, entropisi ve ısı sıcaklığı artan sıcaklık değerleri altında araştırılmıştır.

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Subjects Physics, Applied
Published Date Aralık 2017
Journal Section Research Articles
Authors

Author: Yesim Mogulkoc
Institution: ANKARA ÜNİVERSİTESİ
Country: Turkey


Author: Yasemin Ciftci
Institution: GAZI UNIV
Country: Turkey


Dates

Application Date : January 24, 2017
Acceptance Date : July 24, 2017
Publication Date : December 1, 2017

Bibtex @research article { saufenbilder287816, journal = {Sakarya University Journal of Science}, issn = {1301-4048}, eissn = {2147-835X}, address = {}, publisher = {Sakarya University}, year = {2017}, volume = {21}, pages = {1278 - 1285}, doi = {10.16984/saufenbilder.287816}, title = {A first-principles investigation on a Half-Heusler liscpb semiconductor}, key = {cite}, author = {Mogulkoc, Yesim and Ciftci, Yasemin} }
APA Mogulkoc, Y , Ciftci, Y . (2017). A first-principles investigation on a Half-Heusler liscpb semiconductor. Sakarya University Journal of Science , 21 (6) , 1278-1285 . DOI: 10.16984/saufenbilder.287816
MLA Mogulkoc, Y , Ciftci, Y . "A first-principles investigation on a Half-Heusler liscpb semiconductor". Sakarya University Journal of Science 21 (2017 ): 1278-1285 <http://www.saujs.sakarya.edu.tr/en/issue/26999/287816>
Chicago Mogulkoc, Y , Ciftci, Y . "A first-principles investigation on a Half-Heusler liscpb semiconductor". Sakarya University Journal of Science 21 (2017 ): 1278-1285
RIS TY - JOUR T1 - A first-principles investigation on a Half-Heusler liscpb semiconductor AU - Yesim Mogulkoc , Yasemin Ciftci Y1 - 2017 PY - 2017 N1 - doi: 10.16984/saufenbilder.287816 DO - 10.16984/saufenbilder.287816 T2 - Sakarya University Journal of Science JF - Journal JO - JOR SP - 1278 EP - 1285 VL - 21 IS - 6 SN - 1301-4048-2147-835X M3 - doi: 10.16984/saufenbilder.287816 UR - https://doi.org/10.16984/saufenbilder.287816 Y2 - 2017 ER -
EndNote %0 Sakarya Üniversitesi Fen Bilimleri Enstitüsü Dergisi A first-principles investigation on a Half-Heusler liscpb semiconductor %A Yesim Mogulkoc , Yasemin Ciftci %T A first-principles investigation on a Half-Heusler liscpb semiconductor %D 2017 %J Sakarya University Journal of Science %P 1301-4048-2147-835X %V 21 %N 6 %R doi: 10.16984/saufenbilder.287816 %U 10.16984/saufenbilder.287816
ISNAD Mogulkoc, Yesim , Ciftci, Yasemin . "A first-principles investigation on a Half-Heusler liscpb semiconductor". Sakarya University Journal of Science 21 / 6 (December 2017): 1278-1285 . https://doi.org/10.16984/saufenbilder.287816
AMA Mogulkoc Y , Ciftci Y . A first-principles investigation on a Half-Heusler liscpb semiconductor. SAUJS. 2017; 21(6): 1278-1285.
Vancouver Mogulkoc Y , Ciftci Y . A first-principles investigation on a Half-Heusler liscpb semiconductor. Sakarya University Journal of Science. 2017; 21(6): 1285-1278.