{"about":{"site":"https://codewithpapers.app","non_affiliation":"Code with Papers and Syntology are not affiliated with, endorsed by, or sponsored by Papers with Code, Meta, or the pwc-archive mirror.","licence":"CC BY-SA 4.0","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","attribution":"https://codewithpapers.app/attribution","modified":"archive material modified by Syntology; see the attribution page"},"url":"/paper/universal-moire-model-building-method-without","title":"Universal Moiré-Model-Building Method without Fitting: Application to Twisted MoTe$_2$ and WSe$_2$","arxiv_id":"2411.08108","date":"2024-11-12","proceeding":null,"authors":["Yan Zhang","Hanqi Pi","Jiaxuan Liu","Wangqian Miao","Ziyue Qi","Nicolas Regnault","Hongming Weng","Xi Dai","B. Andrei Bernevig","Quansheng Wu","Jiabin Yu"],"abstract":"We develop a comprehensive method to construct analytical continuum models for moir\\'e systems directly from first-principle calculations without any parameter fitting. The core idea of this method is to interpret the terms in the continuum model as a basis, allowing us to determine model parameters as coefficients of this basis through Gram-Schmidt orthogonalization. We apply our method to twisted MoTe$_2$ and WSe$_2$ with twist angles ranging from 2.13$^\\circ$ to 3.89$^\\circ$, producing continuum models that exhibit excellent agreement with both energy bands and wavefunctions obtained from first-principles calculations. We further propose a strategy to integrate out the higher-energy degrees of freedom to reduce the number of the parameters in the model without sacrificing the accuracy for low-energy bands. Our findings reveal that decreasing twist angles typically need an increasing number of harmonics in the moir\\'e potentials to accurately replicate first-principles results. We provide parameter values for all derived continuum models, facilitating further robust many-body calculations. Our approach is general and applicable to any commensurate moir\\'e materials accessible by first-principles calculations.","url_abs":"https://arxiv.org/abs/2411.08108v1","url_pdf":"https://arxiv.org/pdf/2411.08108v1.pdf","source":{"archive":"pwc-archive (Hugging Face), CC BY-SA 4.0","snapshot":"2025-07-28","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","row_kind":"links_only","authors_date_abstract":"arXiv metadata, CC0 1.0 (https://info.arxiv.org/help/license), from the Kaggle arXiv metadata snapshot of 2026-09-12"},"code_links":[{"paper_slug":"universal-moire-model-building-method-without","repo_url":"https://github.com/zhangyan31415/continuum-model-twist-tmds","is_official":1,"mentioned_in_paper":1,"mentioned_in_github":1,"framework":"none","reach":null}],"tasks":[],"methods":[],"datasets_introduced":[],"methods_introduced":[],"results":[],"syntology":{"atlas_url":null,"mcp":null,"developers":"https://syntology.ai/developers"},"arxiv_metadata":null,"syntology_extracted_results":null}