No Arabic abstract
Phonon transmission across an interface between dissimilar crystalline solids is calculated using molecular dynamics simulations with interatomic force constants obtained from first principles. The results reveal that although inelastic phonon-transmission right at the geometrical interface can become far greater than the elastic one, its contribution to thermal boundary conductance (TBC) is severely limited by the transition regions, where local phonon states at the interface recover the bulk state over a finite thickness. This suggests TBC can be increased by enhancing phonon equilibration in the transition region for instance by phonon scattering, which is demonstrated by increasing the lattice anharmonicity.
We report nanoscale bandgap engineering via a local strain across the inhomogeneous ferroelectric interface, which is controlled by the visible-light-excited probe voltage. Switchable photovolatic effects and the spectral response of the photocurrent were explore to illustrate the reversible bandgap variation (~0.3eV). This local-strain-engineered bandgap has been further revealed by in situ probe-voltage-assisted valence electron energy-loss spectroscopy (EELS). Phase-field simulations and first-principle calculations were also employed for illustration of the large local strain and the bandgap variation in ferroelectric perovskite oxides. This reversible bandgap tuning in complex oxides demonstrates a framework for the understanding of the opticallyrelated behaviors (photovoltaic, photoemission, and photocatalyst effects) affected by order parameters such as charge, orbital, and lattice parameters.
SrRuO3 (SRO), a conducting transition metal oxide, is commonly used for engineering domains in BiFeO3. New oxide devices can be envisioned by integrating SRO with an oxide semiconductor as Nb doped SrTiO3 (Nb:STO). Using a three-terminal device configuration, we study vertical transport in a SRO/Nb:STO device at the nanoscale and find local differences in transport, that originate due to the high selectivity of SRO growth on the underlying surface terminations in Nb:STO. This causes a change in the interface energy band characteristics and is explained by the differences in the spatial distribution of the interface-dipoles at the local Schottky interface.
GaN-based HEMTs have the potential to be widely used in high-power and high-frequency electronics while their maximum output powers are limited by high channel temperature induced by near-junction Joule-heating, which degrades device performance and reliability. Increasing the TBC between GaN and SiC will aid in the heat dissipation of GaN-on-SiC power devices, taking advantage of the high thermal conductivity of the SiC substrate. However, a good understanding of the TBC of this technically important interface is still lacking due to the complicated nature of interfacial heat transport. In this work, a lattice-mismatch-insensitive surface activated bonding method is used to bond GaN directly to SiC and thus eliminating the AlN layer altogether. This allows for the direct integration of high quality GaN layers with SiC to create a high thermal boundary conductance interface. TDTR is used to measure the thermal properties of the GaN thermal conductivity and GaN-SiC TBC. The measured GaN thermal conductivity is larger than that of GaN grown by MBE on SiC, showing the impact of reducing the dislocations in the GaN near the interface. High GaN-SiC TBC is observed for the bonded GaN-SiC interfaces, especially for the annealed interface whose TBC (230 MW/m2-K) is close to the highest values ever reported. To understand the structure-thermal property relation, STEM and EELS are used to characterize the interface structure. The results show that, for the as-bonded sample, there exists an amorphous layer near the interface for the as bonded samples. This amorphous layer is crystallized upon annealing, leading to the high TBC found in our work. Our work paves the way for thermal transport across bonded interfaces, which will impact real-world applications of semiconductor integration and packaging.
We use the extended Lifshitz theory to study the behaviors of the Casimir forces between finite-thickness effective medium slabs. We first study the interaction between a semi-infinite Drude metal and a finite-thickness magnetic slab with or without substrate. For no substrate, the large distance $d$ dependence of the force is repulsive and goes as $1/d^5$; for the Drude metal substrate, a stable equilibrium point appears at an intermediate distance which can be tuned by the thickness of the slab. We then study the interaction between two identical chiral metamaterial slabs with and without substrate. For no substrate, the finite thickness of the slabs $D$ does not influence significantly the repulsive character of the force at short distances, while the attractive character at large distances becomes weaker and behaves as $1/d^6$; for the Drude metal substrate, the finite thickness of the slabs $D$ does not influence the repulsive force too much at short distances until $D=0.05lambda_0$.
Despite the ubiquity of applications of heat transport across nanoscale interfaces, including integrated circuits, thermoelectrics, and nanotheranostics, an accurate description of phonon transport in these systems remains elusive. Here we present a theoretical and computational framework to describe phonon transport with position, momentum and scattering event resolution. We apply this framework to a single material spherical nanoparticle for which the multidimensional resolution offers insight into the physical origin of phonon thermalization, and length-scale dependent anisotropy of steady-state phonon distributions. We extend the formalism to handle interfaces explicitly and investigate the specific case of semi-coherent materials interfaces by computing the coupling between phonons and interfacial strain resulting from aperiodic array of misfit dislocations. Our framework quantitatively describes the thermal interface resistance within the technologically relevant Si-Ge heterostructures. In future, this formalism could provide new insight into coherent and driven phonon effects in nanoscale materials increasingly accessible via ultrafast, THz and near-field spectroscopies.