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arXiv 2207.02809cond-mat.mtrl-sci
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利用原子级薄AlN/GaN数字合金超晶格提升AlGaN的迁移率和电力电子品质因数

Increasing the mobility and power-electronics figure of merit of AlGaN with atomically thin AlN/GaN digital-alloy superlattices

Nick Pant, Woncheol Lee, Nocona Sanders, Emmanouil Kioupakis

AI总结:

本研究针对无规AlGaN合金散射导致迁移率和电力电子品质因数低、高Al组分下掺杂与集成困难的问题,通过第一性原理计算证明单原子层周期的AlN/GaN数字合金超晶格在多种超宽禁带材料中修正Baliga品质因数最高。

摘要:

无规AlGaN合金中的合金散射会大幅降低电子迁移率,进而削弱电力电子品质因数。因此,要使Baliga品质因数相较GaN仅提升两倍,就需要Al组分高于75%。但当Al组分超过约80%时,AlGaN中的施主会发生DX转变,导致杂质掺杂难度持续升高。此外,接触电阻随Al含量增加呈指数上升,且由于导带向上偏移,材料与电介质的集成也变得困难。\nAlN和GaN的原子级薄超晶格(也称为数字合金)已被证实在合适的生长条件下可通过实验制备。这类化学有序的纳米结构因不存在合金散射,相比对应的无规合金可显著提升品质因数,同时还能优化与接触金属、电介质的集成性能。\n本研究采用基于密度泛函理论与多体微扰理论的第一性原理计算,探究了原子级薄AlN/GaN数字合金超晶格的电子结构及声子限制的电子迁移率。结果显示,该原子级薄超晶格的带隙达4.8 eV,面内(面外)迁移率为369(452)cm² V⁻¹ s⁻¹。通过引入考虑掺杂剂电离能的修正Baliga品质因数,我们证明:具有单原子层亚晶格周期的原子级薄AlN/GaN超晶格,在多种具有技术应用价值的超宽禁带材料(包括无规AlGaN、β-Ga₂O₃、cBN和金刚石)中,拥有最高的修正Baliga品质因数。

英文摘要:

Alloy scattering in random AlGaN alloys drastically reduces the electron mobility and therefore the power-electronics figure of merit. As a result, Al compositions greater than 75% are required to obtain even a two-fold increase of the Baliga figure of merit compared to GaN. However, beyond approximately 80% Al composition, donors in AlGaN undergo the DX transition which makes impurity doping increasingly more difficult. Moreover, the contact resistance increases exponentially with increasing Al content, and integration with dielectrics becomes difficult due to the upward shift of the conduction band. Atomically thin superlattices of AlN and GaN, also known as digital alloys, are known to grow experimentally under appropriate growth conditions. These chemically ordered nanostructures could offer significantly enhanced figure of merit compared to their random-alloy counterparts due to the absence of alloy scattering, as well as better integration with contact metals and dielectrics. In this work, we investigate the electronic structure and phonon-limited electron mobility of atomically thin AlN/GaN digital-alloy superlattices using first-principles calculations based on density-functional and many-body perturbation theory. The band gap of the atomically thin superlattices reaches 4.8 eV, and the in-plane (out-of-plane) mobility is 369 (452) cm$^2$ V$^{-1}$ s$^{-1}$. Using the modified Baliga figure of merit that accounts for the dopant ionization energy, we demonstrate that atomically thin AlN/GaN superlattices with a monolayer sublattice periodicity have the highest modified Baliga figure of merit among several technologically relevant ultra-wide band-gap materials, including random AlGaN, $β$-Ga$_{2}$O$_{3}$, cBN, and diamond.

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