Intrinsic breakdown strength: theoretical derivation and first-principles calculations
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arXiv
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| Format: | Preprint |
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2024
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| _version_ | 1866915174721519616 |
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| author | Liu, Shixu Xiang, Hongjun Gong, Xin-Gao Yang, Ji-Hui |
| author_facet | Liu, Shixu Xiang, Hongjun Gong, Xin-Gao Yang, Ji-Hui |
| contents | Intrinsic breakdown strength (F_bd), as the theoretical upper limit of electric field strength that a material can sustain, plays important roles in determining dielectric and safety performance. The well accepted concept is that a larger band gap (E_g) often leads to a larger intrinsic breakdown strength. In this work, we analytically derive a simplified model of F_bd, showing a linear relationship between F_bd and the maximum electron density of states (DOS_max) within the energy range spanning from the conduction band minimum (CBM) to CBM+E_g. Using the Wannier interpolation technique to reduce the cost of calculating the F_bd for various three- and two-dimensional materials, we find that the calculated F_bd did not show any simple relationship with band gap, but it behaves linearly with the DOS_max, consistent with our theoretical derivation. Our work shows that the DOS_max is more fundamental than the band gap value in determining the F_bd, thus providing useful physical insights into the intrinsic dielectric breakdown strength and opening directions for improving high-power devices. The dimensional effects on F_bd has also been revealed that monolayers tend to have larger F_bd due to reduced screening effects. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2411_01464 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Intrinsic breakdown strength: theoretical derivation and first-principles calculations Liu, Shixu Xiang, Hongjun Gong, Xin-Gao Yang, Ji-Hui Materials Science Intrinsic breakdown strength (F_bd), as the theoretical upper limit of electric field strength that a material can sustain, plays important roles in determining dielectric and safety performance. The well accepted concept is that a larger band gap (E_g) often leads to a larger intrinsic breakdown strength. In this work, we analytically derive a simplified model of F_bd, showing a linear relationship between F_bd and the maximum electron density of states (DOS_max) within the energy range spanning from the conduction band minimum (CBM) to CBM+E_g. Using the Wannier interpolation technique to reduce the cost of calculating the F_bd for various three- and two-dimensional materials, we find that the calculated F_bd did not show any simple relationship with band gap, but it behaves linearly with the DOS_max, consistent with our theoretical derivation. Our work shows that the DOS_max is more fundamental than the band gap value in determining the F_bd, thus providing useful physical insights into the intrinsic dielectric breakdown strength and opening directions for improving high-power devices. The dimensional effects on F_bd has also been revealed that monolayers tend to have larger F_bd due to reduced screening effects. |
| title | Intrinsic breakdown strength: theoretical derivation and first-principles calculations |
| topic | Materials Science |
| url | https://arxiv.org/abs/2411.01464 |