Origin of low thermal conductivity in monolayer PbI2
Yükleniyor...
Dosyalar
Tarih
2021
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Elsevier Ltd
Erişim Hakkı
info:eu-repo/semantics/embargoedAccess
Özet
The mechanical, dynamical, and thermodynamic properties of monolayer PbI2 were investigated comprehensively via first-principles calculations. The generalized gradient approximation was chosen for exchange-correlation effects. Thermodynamical properties, Debye temperature, sound velocity, charge density, Grüneisen parameter, and thermal conductivity were examined in detail. The present elastic constants and phonon spectra have shown that PbI2 is stable both mechanically and dynamically. It was revealed that the relationship among atomic mass, interatomic bonds, phonon scattering, specific heat, sound velocities, Grüneisen parameter, and Debye temperature cause low thermal conductivity. These results are matching with is predictions of Slack's theory.
Açıklama
Anahtar Kelimeler
First-principles, PbI2, Phonon Properties, Thermal Conductivity and Mechanical Properties
Kaynak
Solid State Communications
WoS Q Değeri
Q3
Scopus Q Değeri
Q2
Cilt
327
Sayı
-
