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Two-dimensional (2D) materials have attracted significant interest due to their tunable physical properties when stacked into homo- and hetero-structures. Twisting adjacent layers introduces moir\'{e} patterns that strongly influence the…

Information over the phonon band structure is crucial to predicting many thermodynamic properties of materials, such as thermal transport coefficients. Highly accurate phonon dispersion curves can be, in principle, calculated in the…

Materials Science · Physics 2020-11-25 Miquel Royo , Konstanze R. Hahn , Massimiliano Stengel

Recently, there have been increasing interests in phonon thermal transport in low dimensional materials, due to the crucial importance for dissipating and managing heat in micro and nano electronic devices. Significant progresses have been…

Mesoscale and Nanoscale Physics · Physics 2017-01-12 Xiangfan Xu , Jie Chen , Baowen Li

We report planar tunneling spectroscopy measurements on metal-WSe$_2$-twisted bilayer graphene heterostructures across a broad range of gate and bias voltages. The observed experimental features are attributed to phonon-assisted tunneling…

Two-dimensional and layered materials, such as graphene, have emerged in recent years for their potential use in several applications in technology, for example in electronics, bioelectronics, optoelectronics and related fields.…

Materials Science · Physics 2020-07-10 Francesco Mercuri

The tunability of the interlayer coupling by twisting one layer with respect to another layer of two-dimensional materials provides a unique way to manipulate the phonons and related properties. We refer to this engineering of phononic…

Materials Science · Physics 2020-03-25 Indrajit Maity , Mit H. Naik , Prabal K Maiti , H. R. Krishnamurthy , Manish Jain

Structuring materials is one mechanism to influence the thermal conductivity and thus thermoelectric efficiency. In order to investigate the scattering of phonons in multilayer structures we developed a beam matching technique, which is…

Mesoscale and Nanoscale Physics · Physics 2015-12-08 Debanjan Basu , Peter Blöchl

Twisted 2D materials form complex moir\'e structures that spontaneously reduce symmetry through picoscale deformation within a mesoscale lattice. We show twisted 2D materials contain a torsional displacement field comprised of three…

The ability in experiments to control the relative twist angle between successive layers in two-dimensional (2D) materials offers a new approach to manipulating their electronic properties; we refer to this approach as "twistronics". A…

Mesoscale and Nanoscale Physics · Physics 2017-02-22 Stephen Carr , Daniel Massatt , Shiang Fang , Paul Cazeaux , Mitchell Luskin , Efthimios Kaxiras

The design of graphene-based composite with high thermal conductivity requires a comprehensive understanding of phonon coupling in graphene. We extended the two-temperature model to coupled groups of phonon. The study give new physical…

Mesoscale and Nanoscale Physics · Physics 2017-10-11 Meng An , Qichen Song , Xiaoxiang Yu , Han Meng , Dengke Ma , Ruiyang Li , Zelin Jin , Baoling Huang , Nuo Yang

Perturbo is a software package for first-principles calculations of charge transport and ultrafast carrier dynamics in materials. The current version focuses on electron-phonon interactions and can compute phonon-limited transport…

Materials Science · Physics 2021-04-28 Jin-Jian Zhou , Jinsoo Park , I-Te Lu , Ivan Maliyov , Xiao Tong , Marco Bernardi

The relative orientation (twist) of successive layers of stacked two-dimensional (2D) materials creates variations in the interlayer atomic registry. The variations often form a super lattice, called a moir\'e pattern, which can alter…

Mesoscale and Nanoscale Physics · Physics 2020-08-05 Stephen Carr , Daniel Massatt , Mitchell Luskin , Efthimios Kaxiras

We study the in-plane acoustic phonons in twisted bilayer graphenes using the effective continuum approach. We calculate the phonon modes by solving the continuum equation of motion for infinitesimal vibration around the static relaxed…

Mesoscale and Nanoscale Physics · Physics 2019-08-19 Mikito Koshino , Young-Woo Son

Twisted bilayer two-dimensional electronic systems give rise to many exotic phenomena and unveil a new frontier for the study of quantum materials. In photonics, twisted two-dimensional systems coupled via near-field interactions offer a…

Mesoscale and Nanoscale Physics · Physics 2022-05-17 Rongqian Wang , Jincheng Lu , Xiaohu Wu , Jiebin Peng , Jian-Hua Jiang

Recent research in materials science opens exciting perspectives to design novel quantum materials and devices, but it calls for quantitative predictions of properties which are not accessible in standard first principles packages. PAOFLOW…

Two-dimensional materials have unusual phonon structures due to the presence of flexural (out-of-plane) modes. Although molecular dynamics simulations have been extensively used to study heat transport in such materials, conventional…

Mesoscale and Nanoscale Physics · Physics 2017-06-27 Zheyong Fan , Luiz Felipe C. Pereira , Petri Hirvonen , Mikko M. Ervasti , Ken R. Elder , Davide Donadio , Tapio Ala-Nissila , Ari Harju

We develop a theory of probing phonon modes of van-der-Waals materials using the quantum twisting microscope. While elastic tunneling dominates the tunneling current at small twist angles, the momentum mismatch between the K-points of tip…

Mesoscale and Nanoscale Physics · Physics 2026-01-27 Jiewen Xiao , Erez Berg , Leonid I. Glazman , Francisco Guinea , Shahal Ilani , Felix von Oppen

Phonons play a crucial role in many properties of solid state systems, such as thermal and electrical conductivity, neutron scattering and associated effects or superconductivity. Hence, it is expected that topological phonons will also…

Thanks to the recent discovery on the magic-angle bilayer graphene, twistronics is quickly becom11 ing a burgeoning field in condensed matter physics. This letter expands the realm of twistronics to acoustics by introducing twisted bilayer…

Mesoscale and Nanoscale Physics · Physics 2020-11-25 Yuanchen Deng , Mourad Oudich , Nikhil JRK Gerard , Jun Ji , Minghui Lu , Yun Jing

In this paper, we propose an extended plane wave framework to make the electronic structure calculations of the twisted bilayer 2D material systems practically feasible. Based on the foundation in [Y. Zhou, H. Chen, A. Zhou, J. Comput.…

Computational Physics · Physics 2023-01-05 Xiaoying Dai , Aihui Zhou , Yuzhi Zhou