A molecular dynamics study on indentation response of single crystalline wurtzite GaN
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Applied Physics"
DOI: 10.1063/1.5041738
Abstract: A series of molecular dynamics simulations are carried out to investigate the plastic deformation in wurtzite GaN. Besides the formation of an amorphous zone under the contact region, plastic slips nucleated on the m plane… read more here.
Keywords: plane plane; molecular dynamics; indentation; stress ... See more keywords
Full optimization of quasiharmonic free energy with an anharmonic lattice model: Application to thermal expansion and pyroelectricity of wurtzite GaN and ZnO
Sign Up to like & getrecommendations! Published in 2023 at "Physical Review B"
DOI: 10.1103/physrevb.107.134119
Abstract: We present a theory and a calculation scheme of structural optimization at finite temperatures within the quasiharmonic approximation (QHA). The theory is based on an efficient scheme of updating the interatomic force constants with the… read more here.
Keywords: pyroelectricity wurtzite; wurtzite gan; thermal expansion; gan zno ... See more keywords
Piezoelectric Electron-Phonon Interaction from Ab Initio Dynamical Quadrupoles: Impact on Charge Transport in Wurtzite GaN.
Sign Up to like & getrecommendations! Published in 2020 at "Physical review letters"
DOI: 10.1103/physrevlett.125.136602
Abstract: First-principles calculations of e-ph interactions are becoming a pillar of electronic structure theory. However, the current approach is incomplete. The piezoelectric (PE) e-ph interaction, a long-range scattering mechanism due to acoustic phonons in noncentrosymmetric polar… read more here.
Keywords: dynamical quadrupoles; charge transport; wurtzite gan; range ... See more keywords