Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Gernot J. Kraberger"'
Upon chemical substitution of oxygen with fluor, LaMnAsO has been electron-doped in experiments, resulting in samples with remarkably high Seebeck coefficients of around -300$\mu VK^{-1}$ at room temperature and 3% doping. Within the framework of den
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b489f894400c8a2373a236506c5ed006
Publikováno v:
Physical Review B. 98
We investigate the influence of spin-orbit coupling $\ensuremath{\lambda}$ in strongly-correlated multiorbital systems that we describe by a three-orbital Hubbard-Kanamori model on a Bethe lattice. We solve the problem at all integer fillings $N$ wit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::151e7fee59f088ce572eacbf9414fdda
https://doi.org/10.1103/physrevb.98.205128
https://doi.org/10.1103/physrevb.98.205128
Autor:
Malte Schüler, Gernot J. Kraberger, Martijn Marsman, Georg Kresse, Tim O. Wehling, Ronald Pordzik, Oleg E. Peil, Markus Aichhorn
In order for methods combining ab initio density-functional theory and many-body techniques to become routinely used, a flexible, fast, and easy-to-use implementation is crucial. We present an implementation of a general charge self-consistent scheme
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cb5e17f2f44afe71d66bc553da7a15a3
http://openlib.tugraz.at/5bf493239a62f
http://openlib.tugraz.at/5bf493239a62f
We present a generalization of the maximum entropy method to the analytic continuation of matrix-valued Green's functions. To treat off-diagonal elements correctly based on Bayesian probability theory, the entropy term has to be extended for spectral
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::49dbc1e8b954fd67e0f48a8465cfe55d
http://arxiv.org/abs/1705.08838
http://arxiv.org/abs/1705.08838
Autor:
Jernej Mravlje, Markus Aichhorn, Leonid Pourovskii, Verónica Vildosola, Olivier Parcollet, Xiaoyu Deng, Manuel Zingl, Gernot J. Kraberger, Priyanka Seth, Oleg E. Peil, Michel Ferrero, Cyril Martins
Publikováno v:
Computer Physics Communications
Computer Physics Communications, 2016, 204, pp.200-208. ⟨10.1016/j.cpc.2016.03.014⟩
Computer Physics Communications, Elsevier, 2016, 204, pp.200-208. ⟨10.1016/j.cpc.2016.03.014⟩
Computer Physics Communications, 2016, 204, pp.200-208. ⟨10.1016/j.cpc.2016.03.014⟩
Computer Physics Communications, Elsevier, 2016, 204, pp.200-208. ⟨10.1016/j.cpc.2016.03.014⟩
We present the TRIQS/DFTTools package, an application based on the TRIQS library that connects this toolbox to realistic materials calculations based on density functional theory (DFT). In particular, TRIQS/DFTTools together with TRIQS allows an effi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4eeb18b7dc3453c77c8e2eaddc01309e
https://cea.hal.science/cea-01232421/file/1511.01302v2.pdf
https://cea.hal.science/cea-01232421/file/1511.01302v2.pdf
Publikováno v:
Advanced Materials Interfaces. 2:1500323
Electrostatically designing materials opens a new avenue for realizing systems with user-defined electronic properties. Here, an approach is presented for efficiently patterning the electronic structure of layered systems such as graphene by means of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f0cdbd688a51a3f24c611d665a2bb90b
https://doi.org/10.1002/admi.201500323
https://doi.org/10.1002/admi.201500323