Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Kraberger, Gernot J."'
Publikováno v:
Phys. Rev. Materials 3, 075404 (2019)
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:
http://arxiv.org/abs/1907.04173
Publikováno v:
Phys. Rev. B 98, 205128 (2018)
We investigate the influence of spin-orbit coupling $\lambda$ 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 $N$ with the dynamic
Externí odkaz:
http://arxiv.org/abs/1807.05106
Autor:
Schüler, Malte, Peil, Oleg E., Kraberger, Gernot J., Pordzik, Ronald, Marsman, Martijn, Kresse, Georg, Wehling, Tim O., Aichhorn, Markus
Publikováno v:
J. Phys.: Condens. Matter 30, 475901 (2018)
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:
http://arxiv.org/abs/1804.02055
Publikováno v:
Phys. Rev. B 96, 155128 (2017)
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:
http://arxiv.org/abs/1705.08838
Autor:
Aichhorn, Markus, Pourovskii, Leonid, Seth, Priyanka, Vildosola, Veronica, Zingl, Manuel, Peil, Oleg E., Deng, Xiaoyu, Mravlje, Jernej, Kraberger, Gernot J., Martins, Cyril, Ferrero, Michel, Parcollet, Olivier
Publikováno v:
Comp. Phys. Comm. 204, 200 (2016)
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:
http://arxiv.org/abs/1511.01302
Autor:
Aichhorn, Markus, Pourovskii, Leonid, Seth, Priyanka, Vildosola, Veronica, Zingl, Manuel, Peil, Oleg E., Deng, Xiaoyu, Mravlje, Jernej, Kraberger, Gernot J., Martins, Cyril, Ferrero, Michel, Parcollet, Olivier
Publikováno v:
In Computer Physics Communications July 2016 204:200-208
Akademický článek
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