Zobrazeno 1 - 10
of 69
pro vyhledávání: '"Hampel, Alexander"'
Autor:
Grundner, Martin, Kugler, Fabian B., Parcollet, Olivier, Schollwöck, Ulrich, Georges, Antoine, Hampel, Alexander
We show that the remarkably small Fermi-liquid coherence scale and large effective mass observed in LiV$_2$O$_4$ are due to the proximity of a Hund-assisted orbital-selective Mott state. Our work is based on an ab initio dynamical mean-field approach
Externí odkaz:
http://arxiv.org/abs/2409.17268
Autor:
Kazemi-Moridani, Azin, Beck, Sophie, Hampel, Alexander, Tremblay, A. -M. S., Côté, Michel, Gingras, Olivier
Publikováno v:
Phys. Rev. B 109, 165146 (2024)
Despite the significant attention it has garnered over the last thirty years, the paradigmatic material strontium ruthenate remains the focus of critical questions regarding strongly correlated materials. As an alternative platform to unravel some of
Externí odkaz:
http://arxiv.org/abs/2312.05314
We propose a simple and efficient method to calculate the electronic self-energy in dynamical mean-field theory (DMFT), addressing a numerical instability often encountered when solving the Dyson equation. Our approach formulates the Dyson equation a
Externí odkaz:
http://arxiv.org/abs/2310.01266
Publikováno v:
Computer Physics Communications, Volume 304, November 2024, 109299
We present the TRIQS/Nevanlinna analytic continuation package, an efficient implementation of the methods proposed by J. Fei et al in [Phys. Rev. Lett. 126, 056402 (2021)] and [Phys. Rev. B 104, 165111 (2021)]. TRIQS/Nevanlinna strives to provide a h
Externí odkaz:
http://arxiv.org/abs/2309.01407
Autor:
Badrtdinov, Danis I., Rodriguez-Fernandez, Carlos, Grzeszczyk, Magdalena, Qiu, Zhizhan, Vaklinova, Kristina, Huang, Pengru, Hampel, Alexander, Watanabe, Kenji, Taniguchi, Takashi, Jiong, Lu, Potemski, Marek, Dreyer, Cyrus E., Koperski, Maciej, Rösner, Malte
A key advantage of utilizing van der Waals materials as defect-hosting platforms for quantum applications is the controllable proximity of the defect to the surface or the substrate for improved light extraction, enhanced coupling with photonic eleme
Externí odkaz:
http://arxiv.org/abs/2305.08240
Using a density-functional theory plus dynamical mean-field theory methodology, we compute the many-body electronic structure and optical conductivity of NdNiO$_{2}$ under the influence of large scattering rates on the Nd($5d$) bands and including dy
Externí odkaz:
http://arxiv.org/abs/2303.06046
Autor:
Sheng, Nan, Hampel, Alexander, Beck, Sophie, Parcollet, Olivier, Wentzell, Nils, Kaye, Jason, Chen, Kun
Several recent works have introduced highly compact representations of single-particle Green's functions in the imaginary time and Matsubara frequency domains, as well as efficient interpolation grids used to recover the representations. In particula
Externí odkaz:
http://arxiv.org/abs/2301.07764
Autor:
López-Morales, Gabriel I., Hampel, Alexander, López, Gustavo E., Menon, Vinod M., Flick, Johannes, Meriles, Carlos A.
We use density functional theory (DFT) to explore the physical properties of an $Er_{ W}$ point defect in monolayer $WS_{ 2}$. Our calculations indicate that electrons localize at the dangling bonds associated with a tungsten vacancy ($V_{W}$) and at
Externí odkaz:
http://arxiv.org/abs/2201.12455
We perform a comparative $2 \times 2$ real space cluster DMFT study on minimal models for NdNiO$_2$ and CaCuO$_2$ obtained from downfolding DFT states, using a Nambu formalism that allows for both superconducting and antiferromagnetic order. We produ
Externí odkaz:
http://arxiv.org/abs/2201.10481