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Phonon thermodynamics and elastic behavior of GaN at high temperatures and pressures
摘要： The effects of temperature and pressure on the phonons of GaN were calculated for both the wurtzite and zinc-blende structures. The quasiharmonic approximation (QHA) gave reasonable results for the temperature dependence of the phonon DOS at zero pressure but unreliably predicted the combined effects of temperature and pressure. Pressure was found to change the explicit anharmonicity, altering the thermal shifts of phonons and more notably qualitatively changing the evolution of phonon lifetimes with increasing temperature. These effects were largest for the optical modes, and phonon frequencies below approximately 5 THz were adequately predicted with the QHA. The elastic anisotropies of GaN in both wurtzite and zinc-blende structures were calculated from the elastic constants as a function of pressure at 0 K. The elastic anisotropy increased with pressure until reaching elastic instabilities at 40 GPa (zinc blende) and 65 GPa (wurtzite). The calculated instabilities are consistent with proposed transformation pathways to rocksalt GaN and place upper bounds on the pressures at which wurtzite and zinc-blende GaN can be metastable.
关键词： phonon thermodynamics,high pressures,elastic anisotropy,anharmonicity,high temperatures,GaN,elastic behavior,quasiharmonic approximation
更新于2025-09-09 09:28:46
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Determination of the Elastic Behavior of Silicon Nanowires within a Scanning Electron Microscope
摘要： Three-point bending tests were performed on double-anchored, ?110? silicon nanowire samples in the vacuum chamber of a scanning electron microscope (SEM) via a micromanipulator equipped with a piezoresistive force sensor. Nanowires with widths of 35 nm and 74 nm and a height of 168 nm were fabricated. The nanowires were obtained monolithically along with their 10 ??m tall supports through a top-down fabrication approach involving a series of etching processes. The exact dimension of wire cross sections was determined by transmission electron microscopy (TEM). Conducting the experiments in an SEM chamber further raised the opportunity of the direct observation of any deviation from ideal loading conditions such as twisting, which could then be taken into consideration in simulations. Measured force-displacement behavior was observed to exhibit close resemblance to simulation results obtained by finite element modeling, when the bulk value of 169 GPa was taken as the modulus of elasticity for ?110? silicon. Hence, test results neither show any size effect nor show evidence of residual stresses for the considered nanoscale objects. The increased effect of the native oxide with reduced nanowire dimensions was captured as well. The results demonstrate the potential of the developed nanowire fabrication approach for the incorporation in functional micromechanical devices.
关键词： SEM,silicon nanowires,three-point bending tests,finite element modeling,elastic behavior
更新于2025-09-09 09:28:46