Kekul\'e valence bond order in the honeycomb lattice optical Su-Schrieffer-Heeger Model and its relevance to Graphene

التفاصيل البيبلوغرافية
العنوان: Kekul\'e valence bond order in the honeycomb lattice optical Su-Schrieffer-Heeger Model and its relevance to Graphene
المؤلفون: Costa, Sohan Malkaruge, Cohen-Stead, Benjamin, Johnston, Steven
سنة النشر: 2024
المجموعة: Condensed Matter
مصطلحات موضوعية: Condensed Matter - Strongly Correlated Electrons, Condensed Matter - Statistical Mechanics
الوصف: We perform sign-problem-free determinant quantum Monte Carlo simulations of the optical Su-Schrieffer-Heeger (SSH) model on a half-filled honeycomb lattice. In particular, we investigate the model's semi-metal (SM) to Kekul{\'e} Valence Bond Solid (KVBS) phase transition at zero and finite temperatures as a function of phonon energy and interaction strength. Using hybrid Monte Carlo sampling methods we can simulate the model near the adiabatic regime, allowing us to access regions of parameter space relevant to graphene. Our simulations suggest that the SM-KVBS transition is weakly first-order at all temperatures, with graphene situated close to the phase boundary in the SM region of the phase diagram. Our results highlight the important role bond-stretching phonon modes play in the formation of KVBS order in strained graphene-derived systems.
Comment: 8 pages, 9 figures
نوع الوثيقة: Working Paper
DOI: 10.1103/PhysRevB.110.115130
URL الوصول: http://arxiv.org/abs/2407.09366
رقم الانضمام: edsarx.2407.09366
قاعدة البيانات: arXiv
الوصف
DOI:10.1103/PhysRevB.110.115130