Phonon transport properties of NbCoSb compound
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Tarih
2020
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Institute of Physics Publishing
Erişim Hakkı
Attribution-NonCommercial-NoDerivs 3.0 United States
info:eu-repo/semantics/openAccess
info:eu-repo/semantics/openAccess
Özet
We present a first-principles study of the phonon transport properties of the Half-Heusler NbCoSb compound. The single crystal elastic constants have been calculated using the stress- strain method. The mechanical properties such as bulk modulus, shear modulus, Young's modulus, Poisson's ratio, and anisotropy factor are estimated using the Voigt-Reuss-Hill approximation. The Grüneisen parameters, phonon life time, and lattice thermal conductivity have been studied in detail. The elastic and phonon properties reveal that this compound is mechanically and dynamically stable. An analysis of the harmonic and anharmonic phonon dispersion and vibrational density of states reveal that, NbCoSb has a very low lattice thermal conductivity, hence, it is a candidate thermoelectric material.
Açıklama
Anahtar Kelimeler
Anharmonicity, Gruneisen Parameter, Half-heusler, Lattice Thermal Conductivity, Phonon Life Time
Kaynak
Materials Research Express
WoS Q Değeri
Q4
Scopus Q Değeri
Q2
Cilt
7
Sayı
2
