Effects of Thermal Boundary Resistance on Thermal Management of Gallium-Nitride-Based Semiconductor Devices: A Review.

Wide-bandgap gallium nitride (GaN)-based semiconductors offer significant advantages over traditional Si-based semiconductors in terms of high-power and high-frequency operations. As it has superior properties, such as high operating temperatures, high-frequency operation, high breakdown electric field, and enhanced radiation resistance, GaN is applied in various fields, such as power electronic devices, renewable energy systems, light-emitting diodes, and radio frequency (RF) electronic devices. For example, GaN-based high-electron-mobility transistors (HEMTs) are used widely in various applications, such as 5G cellular networks, satellite communication, and radar systems. When a current flows through the transistor channels during operation, the self-heating effect (SHE) deriving from joule heat generation causes a significant increase in the temperature. Increases in the channel temperature reduce the carrier mobility and cause a shift in the threshold voltage, resulting in significant performance degradation. Moreover, temperature increases cause substantial lifetime reductions. Accordingly, GaN-based HEMTs are operated at a low power, although they have demonstrated high RF output power potential. The SHE is expected to be even more important in future advanced technology designs, such as gate-all-around field-effect transistor (GAAFET) and three-dimensional (3D) IC architectures. Materials with high thermal conductivities, such as silicon carbide (SiC) and diamond, are good candidates as substrates for heat dissipation in GaN-based semiconductors. However, the thermal boundary resistance (TBR) of the GaN/substrate interface is a bottleneck for heat dissipation. This bottleneck should be reduced optimally to enable full employment of the high thermal conductivity of the substrates. Here, we comprehensively review the experimental and simulation studies that report TBRs in GaN-on-SiC and GaN-on-diamond devices. The effects of the growth methods, growth conditions, integration methods, and interlayer structures on the TBR are summarized. This study provides guidelines for decreasing the TBR for thermal management in the design and implementation of GaN-based semiconductor devices.

Kinetics of the Simplest Criegee Intermediate Reaction with Water Vapor: Revisit and Isotope Effect.

The kinetics of the simplest Criegee intermediate (CH2OO) reaction with water vapor was revisited. By improving the signal-to-noise ratio and the precision of water concentration, we found that the kinetics of CH2OO involves not only two water molecules but also one and three water molecules. Our experimental results suggest that the decay of CH2OO can be described as d[CH2OO]/dt = -kobs[CH2OO]; kobs = k0 + k1[water] + k2[water]2 + k3[water]3; k1 = (4.22 ± 0.48) × 10-16 cm3 s-1, k2 = (10.66 ± 0.83) × 10-33 cm6 s-1, k3 = (1.48 ± 0.17) × 10-50 cm9 s-1 at 298 K and 300 Torr with the respective Arrhenius activation energies of Ea1 = 1.8 ± 1.1 kcal mol-1, Ea2 = -11.1 ± 2.1 kcal mol-1, Ea3 = -17.4 ± 3.9 kcal mol-1. The contribution of the k3[water]3 term becomes less significant at higher temperatures around 345 K, but it is not ignorable at 298 K and lower temperatures. By quantifying the concentrations of H2O and D2O with a Coriolis-type direct mass flow sensor, the kinetic isotope effect (KIE) was investigated at 298 K and 300 Torr and KIE(k1) = k1(H2O)/k1(D2O) = 1.30 ± 0.32; similarly, KIE(k2) = 2.25 ± 0.44 and KIE(k3) = 0.99 ± 0.13. These mild KIE values are consistent with theoretical calculations based on the variational transition state theory, confirming that the title reaction has a broad and low barrier, and the reaction coordinate involves not only the motion of a hydrogen atom but also that of an oxygen atom. Comparing the results recorded under 300 Torr (N2 buffer gas) with those under 600 Torr, a weak pressure effect of k3 was found. From quantum chemistry calculations, we found that the CH2OO + 3H2O reaction is dominated by the reaction pathways involving a ring structure consisting of two water molecules, which facilitate the hydrogen atom transfer, while the third water molecule is hydrogen-bonded outside the ring. Furthermore, analysis based on dipole capture rates showed that the CH2OO(H2O) + (H2O)2 and CH2OO(H2O)2 + H2O pathways will dominate in the three water reaction.

Data-Driven Design of Transparent Thermal Insulating Nanoscale Layered Oxides.

Predicting the interfacial thermal resistance (ITR) for various material systems is a time-consuming process. In this study, we applied our previously proposed ITR machine learning models to discover the material systems that satisfy both high transparency and low thermal conductivity. The selected material system of TiO2/SiO2 shows a high ITR of 26.56 m2K/GW, which is in good agreement with the predicted value. The nanoscale layered TiO2/SiO2 thin films synthesized by sputtering exhibits ultralow thermal conductivity (0.21 W/mK) and high transparency (>90%, 380−800 nm). The reduction of the thermal conductivity is achieved by the high density of the interfaces with a high ITR rather than the change of the intrinsic thermal conductivity. The thermal conductivity of TiO2 is observed to be 1.56 W/mK with the film thickness in the range of 5−50 nm. Furthermore, the strong substrate dependence is confirmed as the thermal conductivity of the nanoscale layered TiO2/SiO2 thin films on quartz glass is three times lower than that on Si. The proposed TiO2/SiO2 composites have higher transparency and robustness, good adaptivity to electronics, and lower cost than the current transparent thermal insulating materials such as aerogels and polypropylene. The good agreement of the experimental ITR with the prediction and the low thermal conductivity of the layered thin films promise this strategy has great potential for accelerating the development of transparent thermal insulators.

Modification and Characterization of Interfacial Bonding for Thermal Management of Ruthenium Interconnects in Next-Generation Very-Large-Scale Integration Circuits.

Ruthenium may replace copper interconnects in next-generation very-large-scale integration (VLSI) circuits. However, interfacial bonding between Ru interconnect wires and surrounding dielectrics must be optimized to reduce thermal boundary resistance (TBR) for thermal management. In this study, various adhesion layers are employed to modify bonding at the Ru/SiO2 interface. The TBRs of film stacks are measured using the frequency-domain thermoreflectance technique. TiN and TaN with high nitrogen contents significantly reduce the TBR of the Ru/SiO2 interface compared to common Ti and Ta adhesion layers. The adhesion layer thickness, on the other hand, has only minor effect on TBR when the thickness is within 2-10 nm. Hard X-ray photoelectron spectroscopy of deeply buried layers and interfaces quantitatively reveals that the decrease in TBR is attributed to the enhanced bonding of interfaces adjacent to the TaN adhesion layer, probably due to the electron transfer between the atoms at two sides of the interface. Simulations by a three-dimensional electrothermal finite element method demonstrate that decreasing the TBR leads to a significantly smaller temperature increase in the Ru interconnects. Our findings highlight the importance of TBR in the thermal management of VLSI circuits and pave the way for Ru interconnects to replace the current Cu-based ones.

Polyimide-Derived Carbon-Coated Li4Ti5O12 as High-Rate Anode Materials for Lithium Ion Batteries.

Carbon-coated Li4Ti5O12 (LTO) has been prepared using polyimide (PI) as a carbon source via the thermal imidization of polyamic acid (PAA) followed by a carbonization process. In this study, the PI with different structures based on pyromellitic dianhydride (PMDA), 4,4'-oxydianiline (ODA), and p-phenylenediamine (p-PDA) moieties have been synthesized. The effect of the PI structure on the electrochemical performance of the carbon-coated LTO has been investigated. The results indicate that the molecular arrangement of PI can be improved when the rigid p-PDA units are introduced into the PI backbone. The carbons derived from the p-PDA-based PI show a more regular graphite structure with fewer defects and higher conductivity. As a result, the carbon-coated LTO exhibits a better rate performance with a discharge capacity of 137.5 mAh/g at 20 C, which is almost 1.5 times larger than that of bare LTO (94.4 mAh/g).

Essential structural and experimental descriptors for bulk and grain boundary conductivities of Li solid electrolytes.

We present a computational approach for identifying the important descriptors of the ionic conductivities of lithium solid electrolytes. Our approach discriminates the factors of both bulk and grain boundary conductivities, which have been rarely reported. The effects of the interrelated structural (e.g. grain size, phase), material (e.g. Li ratio), chemical (e.g. electronegativity, polarizability) and experimental (e.g. sintering temperature, synthesis method) properties on the bulk and grain boundary conductivities are investigated via machine learning. The data are trained using the bulk and grain boundary conductivities of Li solid conductors at room temperature. The important descriptors are elucidated by their feature importance and predictive performances, as determined by a nonlinear XGBoost algorithm: (i) the experimental descriptors of sintering conditions are significant for both bulk and grain boundary, (ii) the material descriptors of Li site occupancy and Li ratio are the prior descriptors for bulk, (iii) the density and unit cell volume are the prior structural descriptors while the polarizability and electronegativity are the prior chemical descriptors for grain boundary, (iv) the grain size provides physical insights such as the thermodynamic condition and should be considered for determining grain boundary conductance in solid polycrystalline ionic conductors.

Effect of the Thermal Boundary Resistance in Metal/Dielectric Thermally Conductive Layers on Power Generation of Silicon Nanowire Microthermoelectric Generators.

In microthermoelectric generators (µTEGs), parasitic thermal resistance must be suppressed to increase the temperature difference across thermocouples for optimum power generation. A thermally conductive (TC) layer is typically used in µTEGs to guide the heat flow from the heat source to the hot junction of each thermocouple. In this study, we investigate the effect of the thermal boundary resistance (TBR) in metal/dielectric TC layers on the power generation of silicon nanowire (SiNW) µTEGs. We prepared various metal/adhesion/dielectric TC layers using different metal, adhesion, and dielectric layers and measured the thermal resistance using the frequency-domain thermoreflectance method. We found that the thermal resistance was significantly different, mainly due to the TBR of the metal/dielectric interfaces. Interface characterization highlights the significant role of the interfacial bonding strength and interdiffusion in TBR. We fabricated a prototype SiNW-µTEG with different TC layers for testing, finding that the power generation increased significantly when the thermal resistance of the TC layer was lowered. This study helps to understand the underlying physics of thermal transport at interfaces and provides a guideline for the design and fabrication of µTEGs to enhance power generation for effective energy harvesting.

Effect of Thermal Boundary Resistance between the Interconnect Metal and Dielectric Interlayer on Temperature Increase of Interconnects in Deeply Scaled VLSI.

Temperature increase in the continuously narrowing interconnects accelerates the performance and reliability degradation of very large scale integration (VLSI). Thermal boundary resistance (TBR) between an interconnect metal and dielectric interlayer has been neglected or treated approximately in conventional thermal analyses, resulting in significant uncertainties in performance and reliability. In this study, we investigated the effects of TBR between an interconnect metal and dielectric interlayer on temperature increase of Cu, Co, and Ru interconnects in deeply scaled VLSI. Results indicate that the measured TBR is significantly higher than the values predicted by the diffuse mismatch model and varies widely from 1 × 10-8 to 1 × 10-7 m2 K W-1 depending on the liner/barrier layer used. Finite element method simulations show that such a high TBR can cause a temperature increase of hundreds of degrees in the future VLSI interconnect. Characterization of interface properties shows the significant importance of interdiffusion and adhesion in TBR. For future advanced interconnects, Ru is better than Co for heat dissipation in terms of TBR. This study provides a guideline for the thermal management in deeply scaled VLSI.

Author Correction: Physical and chemical descriptors for predicting interfacial thermal resistance.

An amendment to this paper has been published and can be accessed via a link at the top of the paper.

Physical and chemical descriptors for predicting interfacial thermal resistance.

Heat transfer at interfaces plays a critical role in material design and device performance. Higher interfacial thermal resistances (ITRs) affect the device efficiency and increase the energy consumption. Conversely, higher ITRs can enhance the figure of merit of thermoelectric materials by achieving ultra-low thermal conductivity via nanostructuring. This study proposes a dataset of descriptors for predicting the ITRs. The dataset includes two parts: one part consists of ITRs data collected from 87 experimental papers and the other part consists of the descriptors of 289 materials, which can construct over 80,000 pair-material systems for ITRs prediction. The former part is composed of over 1300 data points of metal/nonmetal, nonmetal/nonmetal, and metal/metal interfaces. The latter part consists of physical and chemical properties that are highly correlated to the ITRs. The synthesis method of the materials and the thermal measurement technique are also recorded in the dataset for further analyses. These datasets can be applied not only to ITRs predictions but also to thermal-property predictions or heat transfer on various material systems.