Saved in:
| Main Authors: | , , , , , , |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2512.21833 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1866909976065212416 |
|---|---|
| author | Liang, Renhong Ye, Mao Zheng, Renkui Hao, Jianhua Huang, Haitao Shu, Longlong Ke, Shanming |
| author_facet | Liang, Renhong Ye, Mao Zheng, Renkui Hao, Jianhua Huang, Haitao Shu, Longlong Ke, Shanming |
| contents | van der Waals (vdW) epitaxy is conventionally regarded as a rotation-free and strain-free growth mode driven by weak, isotropic interactions, yet many interfaces paradoxically exhibit strictly locked orientations that defy standard surface-energy models. We resolve this inconsistency by establishing a unified quantitative framework for 2D-3D systems, in which strong electrostatic and chemical interactions compete with entropic forces. We introduce a two-tier descriptor set-the predictive index (I_pre) and the thermodynamic locking criterion (I_lock)-to quantify the energetic sufficiency for locked epitaxy. Our theory accurately predicted the competitive interactions at the interface within the 2D-3D system, precisely characterized whether the epitaxial layer underwent free growth or was constrained in a locked growth mode, demonstrating robust consistency with diverse experimental observations. This framework unifies orientation selection in 3D-on-2D films and rotational locking in 2D-on-3D layers within a single-phase diagram. Our work provides a generalizable, predictive route to controlling epitaxial orientation across a broad spectrum of layered heterostructure |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2512_21833 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Universal thermodynamic framework for quasi-van der Waals epitaxy Liang, Renhong Ye, Mao Zheng, Renkui Hao, Jianhua Huang, Haitao Shu, Longlong Ke, Shanming Materials Science van der Waals (vdW) epitaxy is conventionally regarded as a rotation-free and strain-free growth mode driven by weak, isotropic interactions, yet many interfaces paradoxically exhibit strictly locked orientations that defy standard surface-energy models. We resolve this inconsistency by establishing a unified quantitative framework for 2D-3D systems, in which strong electrostatic and chemical interactions compete with entropic forces. We introduce a two-tier descriptor set-the predictive index (I_pre) and the thermodynamic locking criterion (I_lock)-to quantify the energetic sufficiency for locked epitaxy. Our theory accurately predicted the competitive interactions at the interface within the 2D-3D system, precisely characterized whether the epitaxial layer underwent free growth or was constrained in a locked growth mode, demonstrating robust consistency with diverse experimental observations. This framework unifies orientation selection in 3D-on-2D films and rotational locking in 2D-on-3D layers within a single-phase diagram. Our work provides a generalizable, predictive route to controlling epitaxial orientation across a broad spectrum of layered heterostructure |
| title | Universal thermodynamic framework for quasi-van der Waals epitaxy |
| topic | Materials Science |
| url | https://arxiv.org/abs/2512.21833 |