Zobrazeno 1 - 10
of 256
pro vyhledávání: '"Mostofi, Arash"'
Twisted bilayers of two-dimensional (2D) materials have emerged as a highly tunable platform to study and engineer properties of excitons. However, the atomistic description of these properties has remained a significant challenge as a consequence of
Externí odkaz:
http://arxiv.org/abs/2406.11098
Autor:
Cheung, Christopher T. S., Goodwin, Zachary A. H., Han, Yixuan, Lu, Jiong, Mostofi, Arash A., Lischner, Johannes
Twisted bilayers of two-dimensional materials have emerged as a highly tunable platform for studying broken symmetry phases. While most interest has been focused on emergent states in systems whose constituent monolayers do not feature broken symmetr
Externí odkaz:
http://arxiv.org/abs/2405.20913
Autor:
Pizzochero, Michele, Tepliakov, Nikita V., Lischner, Johannes, Mostofi, Arash A., Kaxiras, Efthimios
Publikováno v:
Nano Letters (2024)
We examine the electronic structure of recently fabricated in-plane heterojunctions of zigzag graphene nanoribbons embedded in hexagonal boron nitride. We focus on hitherto unexplored interface configurations in which both edges of the nanoribbon are
Externí odkaz:
http://arxiv.org/abs/2405.20886
Autor:
Marrazzo, Antimo, Beck, Sophie, Margine, Elena R., Marzari, Nicola, Mostofi, Arash A., Qiao, Junfeng, Souza, Ivo, Tsirkin, Stepan S., Yates, Jonathan R., Pizzi, Giovanni
Over the last two decades, following the early developments on maximally-localized Wannier functions, an ecosystem of electronic-structure simulation techniques and software leveraging the Wannier representation has flourished. This environment inclu
Externí odkaz:
http://arxiv.org/abs/2312.10769
We present theoretical calculations of the optical spectrum of monolayer MoS$_2$ with a charged defect. In particular, we solve the Bethe-Salpeter equation based on an atomistic tight-binding model of the MoS$_2$ electronic structure which allows cal
Externí odkaz:
http://arxiv.org/abs/2307.04268
Autor:
Tepliakov, Nikita V., Ma, Ruize, Lischner, Johannes, Kaxiras, Efthimios, Mostofi, Arash A., Pizzochero, Michele
Half-metals have been envisioned as active components in spintronic devices by virtue of their completely spin-polarized electrical currents. Actual materials hosting half-metallic phases, however, remain scarce. Here, we predict that recently fabric
Externí odkaz:
http://arxiv.org/abs/2305.15214
Autor:
Jimeno-Pozo, Alejandro, Goodwin, Zachary A. H., Pantaleón, Pierre A., Vitale, Valerio, Klebl, Lennart, Kennes, Dante M., Mostofi, Arash, Lischner, Johannes, Guinea, Francisco
We discuss the effect of long-range interactions within the self-consistent Hartree-Fock (HF) approximation in comparison to short-range atomic Hubbard interactions on the band structure of twisted bilayer graphene (TBG) at charge neutrality for vari
Externí odkaz:
http://arxiv.org/abs/2303.18025
We investigate the effect of thermal fluctuations on the atomic and electronic structure of a twisted MoSe$_{2}$/WSe$_{2}$ heterobilayer using a combination of classical molecular dynamics and \textit{ab-initio} density functional theory calculations
Externí odkaz:
http://arxiv.org/abs/2302.09918
Suppression of superconductivity in favour of a striped phase, and its coincidence with a structural transition from a low-temperature orthorhombic (LTO) to a low-temperature tetragonal (LTT) phase, is a ubiquitous feature of hole-doped lanthanum cup
Externí odkaz:
http://arxiv.org/abs/2302.09588
Autor:
Ramzan, Muhammad Sufyan, Goodwin, Zachary A. H., Mostofi, Arash A., Kuc, Agnieszka, Lischner, Johannes
In graphene, charged defects break the electron-hole symmetry and can even give rise to exotic collapse states when the defect charge exceeds a critical value which is proportional to the Fermi velocity. In this work, we investigate the electronic pr
Externí odkaz:
http://arxiv.org/abs/2211.01038