Zobrazeno 1 - 10
of 124
pro vyhledávání: '"Rossitza Pentcheva"'
Autor:
Achim Füngerlings, Marcus Wohlgemuth, Denis Antipin, Emma van der Minne, Ellen Marijn Kiens, Javier Villalobos, Marcel Risch, Felix Gunkel, Rossitza Pentcheva, Christoph Baeumer
Publikováno v:
Nature Communications, Vol 14, Iss 1, Pp 1-13 (2023)
Abstract Electrocatalysts are the cornerstone in the transition to sustainable energy technologies and chemical processes. Surface transformations under operation conditions dictate the activity and stability. However, the dependence of the surface s
Externí odkaz:
https://doaj.org/article/c1bccccb880040149e6f33b2f53f9db7
Publikováno v:
Scientific Reports, Vol 13, Iss 1, Pp 1-10 (2023)
Abstract The dice lattice, containing a stack of three triangular lattices, has been proposed to exhibit nontrivial flat bands with nonzero Chern numbers, but unlike the honeycomb lattice it is much less studied. By employing density-functional theor
Externí odkaz:
https://doaj.org/article/18ee997684a44fff95ab4a9edb460bce
Autor:
Manish Verma, Rossitza Pentcheva
Publikováno v:
Physical Review Research, Vol 6, Iss 1, p 013189 (2024)
Using a combination of density functional theory calculations with an on-site Coulomb repulsion term (DFT+U) and Boltzmann transport theory within the constant relaxation time approximation, we explore the effect of oxygen vacancies on the electronic
Externí odkaz:
https://doaj.org/article/2acfc114bf5840899dcf3660770293e5
Autor:
Vijaya Begum-Hudde, Tobias Lojewski, Nico Rothenbach, Benedikt Eggert, Andrea Eschenlohr, Katharina Ollefs, Markus E. Gruner, Rossitza Pentcheva
Publikováno v:
Physical Review Research, Vol 5, Iss 1, p 013199 (2023)
Based on density functional theory calculations, we model the x-ray absorption spectra of the O K edge and the Ti L_{2,3} edge in bulk SrTiO_{3}. Taking into account excitonic effects by solving the Bethe-Salpeter equation is found to be pivotal for
Externí odkaz:
https://doaj.org/article/d41d554fcade4d8e9d99a383f6126fbc
Autor:
Manish Verma, Rossitza Pentcheva
Publikováno v:
Physical Review Research, Vol 4, Iss 3, p 033013 (2022)
Exploring the origin of the metal-to-insulator transition (MIT) in transition metal oxide heterostructures is of high interest in current condensed matter physics research. Here based on density functional theory calculations with the meta-GGA exchan
Externí odkaz:
https://doaj.org/article/4a0c4eb13f594dc28b20b50e5227c141
Publikováno v:
npj Quantum Materials, Vol 2, Iss 1, Pp 1-8 (2017)
Condensed Matter Physics: quantised Hall transport in two dimensional magnetic insulators Simulations predict a Chern insulating state with quantized anomalous Hall transport in insulators without an applied magnetic field. These strongly correlated
Externí odkaz:
https://doaj.org/article/179eef512b1f45fdb42d346bbb57b2e4
Correlated interface electron gas in infinite-layer nickelate versus cuprate films on SrTiO_{3}(001)
Autor:
Benjamin Geisler, Rossitza Pentcheva
Publikováno v:
Physical Review Research, Vol 3, Iss 1, p 013261 (2021)
Based on first-principles calculations including a Coulomb repulsion term, we identify trends in the electronic reconstruction of ANiO_{2}/SrTiO_{3}(001) (A=Pr, La) and ACuO_{2}/SrTiO_{3}(001) (A=Ca, Sr). Common to all cases is the emergence of a qua
Externí odkaz:
https://doaj.org/article/3f3ce02b04f94daaaa5ff949be60c009
Autor:
Berit H Goodge, Benjamin Geisler, Kyuho Lee, Motoki Osada, Bai Yang Wang, Danfeng Li, Harold Y Hwang, Rossitza Pentcheva, Lena F Kourkoutis
Publikováno v:
Microscopy and Microanalysis. 28:2556-2559
Autor:
Berit H. Goodge, Benjamin Geisler, Kyuho Lee, Motoki Osada, Bai Yang Wang, Danfeng Li, Harold Y. Hwang, Rossitza Pentcheva, Lena F. Kourkoutis
Nickel-based superconductors provide a long-awaited experimental platform to explore possible cuprate-like superconductivity. Despite similar crystal structure and d electron filling, however, superconductivity in nickelates has thus far only been st
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2b4fe8cc01ccf4a9af6362c6fc2a429b
https://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&origin=inward&scp=85151075978
https://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&origin=inward&scp=85151075978
Autor:
Achim Füngerlings, Anna Rabe, Maik Dreyer, Wolfgang Schuhmann, Malte Behrens, Rossitza Pentcheva, Dulce M. Morales, Adarsh Koul
Publikováno v:
Chemistry – A European Journal. 27:17145-17158
In a combined experimental and theoretical study we assess the role of Co incorporation on the OER activity of LaCox Fe1-x O3 . Phase pure perovskites were synthesized up to x=0.300 in 0.025/0.050 steps. HAADF STEM and EDX analysis points towards FeO