Heat flow across an oxide layer in Si

Stanley, Christopher; Estreicher, Stefan K.

doi:10.1002/pssa.201700204

Cited by 5 publications

(5 citation statements)

References 21 publications

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“…4,5 The main barriers to heat dissipation in SOI devices are largely attributed to the thermal resistances (i) in the bulk of the SiO2 layer, and (ii) at the interface of Si and SiO2 layers (Si/SiO2 interface). 6 To assess the relative significance of these two resistances, a few studies have examined the heat transfer across the Si/SiO2 interface, [6][7][8][9][10] with only one 6 investigating the modal contributions to the thermal interface conductance (TIC). TIC is also denoted by G , where QT G   ( Q , and T  representing the heat flux through the interface and the temperature change across the interface (i.e., Kapitza resistance 11 ), respectively).…”

Section: Textmentioning

confidence: 99%

“…Mahajan et al 7 , Lampin et al 8 and Chen et al 12 all employed non-equilibrium molecular dynamics (NEMD) method to obtain a temperature jump at the interface of Si/SiO2 and used the above definition of G to evaluate the TIC. Stanley et al 9,10 used a modified approach to non-equilibrium heat transfer implemented in a first-principles MD simulation to capture the TIC across the Si/SiO2 interface, however neither of the above groups analyzed the modal contributions to the TIC. Only Deng et al 6 quantified the modal contributions to the heat transfer across Si/SiO2 interface by employing the wave packet (WP) dynamics approach.…”

Section: Textmentioning

confidence: 99%

“…In Eq. (10) and (11), . From the presented formulations, it can be seen that, contrary to all the PGM based techniques, ICMA is not based on any restrictive assumptions, thus it can be employed to study the anharmonic modal contributions of all types of vibrational modes in the system, including the localized interfacial modes, to the heat transfer across all types of interfaces, including crystalline, 45 amorphous 46 and alloyed 47 ones.…”

Section: Textmentioning

confidence: 99%

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Interface conductance modal analysis of a crystalline Si-amorphous SiO2 interface

Gordiz

Muraleedharan

Henry

2019

Journal of Applied Physics

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We studied the anharmonic modal contributions to heat transfer at the interface of crystalline Si and amorphous SiO2 using the recently proposed interface conductance modal analysis (ICMA) method. Our results show that ~74% of the thermal interface conductance (TIC) arises from the extended modes, which occupy more than ~58% of the entire population of vibrational modes in the system. More interestingly, although the population of purely localized and interfacial modes on the SiO2 side is less than 6 times the population of partially extended modes, the contribution to TIC by these localized modes is more than twice that of the contribution from partially extended modes. Such an observation, once again proves the nonnegligible role of localized modes to facilitate heat transfer across systems with broken symmetries, and reiterates the fact that neglecting the contribution of localized modes in any modal analysis approach is an over-simplification of the actual mechanisms of heat transfer. Correctly pinpointing the modal contributions is of vital importance, since these values are directly utilized in determining the temperature dependent TIC, which is crucial to silicon on insulator (SOI) technologies with myriad applications such as microelectronics and optoelectronics.

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Section: Textmentioning

confidence: 99%

Section: Textmentioning

confidence: 99%

Section: Textmentioning

confidence: 99%

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Interface conductance modal analysis of a crystalline Si-amorphous SiO2 interface

Gordiz

Muraleedharan

Henry

2019

Journal of Applied Physics

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“…The numbers differ slightly from those in ref. [12] because we extended the runs to 15 ps and averaged over more initial microstates.…”

Section: Heat Flowmentioning

confidence: 99%

“…Preliminary results of such heat flow (8 ps simulation for a single temperature window) are in ref. [12].…”

Section: Introductionmentioning

confidence: 99%

Phonon Dynamics at an Oxide Layer in Silicon: Heat Flow and Kapitza Resistance

Stanley

Estreicher

2018

Physica Status Solidi (a)

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The interactions between heat flow and an oxide layer in Si are studied within two temperature windows using non‐equilibrium ab initio molecular‐dynamics (MD). The model system is a H‐saturated Si nanowire containing an amorphous SiOx layer. The nanowire is in a large 1‐D periodic box which prevents thermal contamination between image nanowires. The results show that the oxide acts as barrier to heat flow and substantially increases the time required for the system to reach thermal equilibrium. This effect is caused by the higher‐frequency vibrational modes in the oxide relative to Si, and is unrelated to the low thermal conductivity of SiOx. A new first‐principles method to calculate the Kapitza resistance of the interface directly from the MD data is proposed.

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One Stone Two Birds: Anomalously Enhancing the Cross‐Plane and In‐Plane Heat Transfer in 2D/3D Heterostructures by Defects Engineering

Wang,

Xiong,

Shao

et al. 2024

Small Methods

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This study addresses a crucial challenge in two‐dimensional (2D) material‐based electronic devices—inefficient heat dissipation across the van der Waals (vdW) interface connecting the 2D material to its three‐dimensional (3D) substrate. The objective is to enhance the interfacial thermal conductance (ITC) of 2D/3D heterostructures without compromising the intrinsic thermal conductivities (κ) of 2D materials. Using 2D‐MoS2/3D‐GaN as an example, a novel strategy to enhance both the ITC across 2D/3D interface and κ of 2D material is proposed by introducing a controlled concentration (ρ) of vacancy defects to substrate's bottom surface. Molecular dynamics simulations demonstrate a notable 2.1‐fold higher ITC of MoS2/GaN at ρ = 4% compared to the no‐defective counterpart, along with an impressive 56% enhancement in κ of MoS2 compared to the conventional upper surface modification approaches. Phonon dynamics analysis attributes the ITC enhancement to increased phonon coupling between MoS2 and GaN, resulting from polarization conversion and hybridization of phonons at the defective surface. Spectral energy density analysis affirms that the improved κ of MoS2 directly results from the proposed strategy, effectively reducing phonon scattering at the interface. This work provides an effective approach for enhancing heat transfer in 2D/3D vdW heterostructures, promisingly advancing electronics’ heat dissipation.

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Heat flow across an oxide layer in Si

Cited by 5 publications

References 21 publications

Interface conductance modal analysis of a crystalline Si-amorphous SiO2 interface

Interface conductance modal analysis of a crystalline Si-amorphous SiO2 interface

Phonon Dynamics at an Oxide Layer in Silicon: Heat Flow and Kapitza Resistance

One Stone Two Birds: Anomalously Enhancing the Cross‐Plane and In‐Plane Heat Transfer in 2D/3D Heterostructures by Defects Engineering

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