TY  - JOUR
TT  - A first-principles investigation on a Half-Heusler liscpb semiconductor
AU  - Mogulkoc, Yesim
AU  - Ciftci, Yasemin
PY  - 2017
DA  - December
Y2  - 2017
DO  - 10.16984/saufenbilder.287816
JF  - Sakarya University Journal of Science
JO  - SAUJS
PB  - Sakarya University
WT  - DergiPark
SN  - 2147-835X
SP  - 1278
EP  - 1285
VL  - 21
IS  - 6
KW  - İlk-ilkesel
KW  - yarı-Heusler
KW  - elastik özellikler
KW  - elektronik özellikler
KW  - LiScPb
N2  - A first-principles study of structural, elastic, electronic,vibrational, thermodynamic and optical properties of a half-Heusler (HH) LiScPbsemiconductor has been reported using the plane-wave pseudo-potential techniquebased on density functional theory (DFT). The elastic properties arerepresented using second-order elastic constants. The electronic band structurecalculations are obtained with partial density of states. Optical properties ofHH-LiScPb semiconductor are also investigated and related parameters such asrefraction index, extinction coefficient, reflectivity and loss function aredetermined using dielectric functions in this study. Phonon calculations havebeen taken into account to evaluate the stability of half-Heusler (HH) LiScPbsemiconductor. Also, the system's free energy, entropy and heat capacity wereinvestigated under increasing temperature values.
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UR  - https://doi.org/10.16984/saufenbilder.287816
L1  - https://dergipark.org.tr/en/download/article-file/373961
ER  -