2016/02/09 by Jian Liu, Mariví Fernández-Serra, Maria V. Fernández-Serra +1
Engineering · Materials Science · Physics and Astronomy · #Acoustic Wave Resonator Technologies #Composite material #Condensed matter physics #Debye #Debye model #Ferroelectricity #Ga2O3 and related materials #GaN-based semiconductor devices and materials #Materials science #Metallurgy #Optoelectronics #Phonon #Physics #Piezoelectricity #Pyroelectricity #Thermal #Thermodynamics #Wurtzite crystal structure #Zinc #cond-mat.mtrl-sci
paper · pdf · doi:10.1103/physrevb.93.081205
openalex publication_date 2016/02/09 · arxiv created 2016/03/02 · arxiv updated 2016/03/03 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
First-principles calculations are made for the primary pyroelectric coefficients of wurtzite GaN and ZnO. The pyroelectricity is attributed to the quasiharmonic thermal shifts of internal strains (internal displacements of cations and anions carrying their Born effective charges). The primary (zero-external-strain) pyroelectricity dominates at low temperatures, while the secondary pyroelectricity (the correction from external thermal strains) becomes comparable with the primary pyroelectricity at high temperatures. Contributions from the acoustic and the optical phonon modes to the primary pyroelectric coefficient are only moderately well described by the corresponding Debye and Einstein functions, respectively.