Zobrazeno 1 - 10
of 59
pro vyhledávání: '"Margine, Elena R."'
Autor:
Mishra, Shashi B., Marcial, Edan T., Debata, Suryakanti, Kolmogorov, Aleksey N., Margine, Elena R.
Publikováno v:
Phys. Rev. B, 110, 174508 (2024)
A recent ab initio investigation of Na-C binary compounds under moderate pressures has uncovered a possible stable NaC$_4$ superconductor with an estimated critical temperature up to 41K. We revisit this promising binary system by performing a more f
Externí odkaz:
http://arxiv.org/abs/2407.16056
Autor:
Tomassetti, Charlsey R., Gochitashvili, Daviti, Renskers, Christopher, Margine, Elena R., Kolmogorov, Aleksey N.
We employ ab initio modeling to investigate the possibility of attaining high-temperature conventional superconductivity in ambient-pressure materials based on the known MgB$_2$C$_2$ and recently proposed thermodynamically stable NaBC ternary compoun
Externí odkaz:
http://arxiv.org/abs/2407.09347
In this study, we combine the ab initio Migdal-Eliashberg approach with the intermediate representation for the Green's function, enabling accurate and efficient calculations of the momentum-dependent superconducting gap function while fully consider
Externí odkaz:
http://arxiv.org/abs/2404.11528
Autor:
Tomassetti, Charlsey R., Kafle, Gyanu P., Marcial, Edan T., Margine, Elena R., Kolmogorov, Aleksey N.
Delithiation of the known layered LiBC compound was predicted to induce conventional superconductivity at liquid nitrogen temperatures but extensive experimental work over the past two decades has detected no signs of the expected superconducting tra
Externí odkaz:
http://arxiv.org/abs/2403.00738
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 apply a novel chemical capacitor setup to facilitate metallization of ionic hydrides, LiH and MgH2. It turns out that the amount of holes doped to a single layer of these materials may reach 0.72 per H atom without structure collapse; concomitant
Externí odkaz:
http://arxiv.org/abs/2311.18478
Autor:
Lucrezi, Roman, Ferreira, Pedro P., Hajinazar, Samad, Mori, Hitoshi, Paudyal, Hari, Margine, Elena R., Heil, Christoph
Publikováno v:
Commun Phys 7, 33 (2024)
Migdal-Eliashberg theory is one of the state-of-the-art methods for describing conventional superconductors from first principles. However, widely used implementations assume a constant density of states around the Fermi level, which hinders a proper
Externí odkaz:
http://arxiv.org/abs/2310.00056
Autor:
Lee, Hyungjun, Poncé, Samuel, Bushick, Kyle, Hajinazar, Samad, Lafuente-Bartolome, Jon, Leveillee, Joshua, Lian, Chao, Macheda, Francesco, Paudyal, Hari, Sio, Weng Hong, Zacharias, Marios, Zhang, Xiao, Bonini, Nicola, Kioupakis, Emmanouil, Margine, Elena R., Giustino, Feliciano
EPW is an open-source software for $\textit{ab initio}$ calculations of electron-phonon interactions and related materials properties. The code combines density functional perturbation theory and maximally-localized Wannier functions to efficiently c
Externí odkaz:
http://arxiv.org/abs/2302.08085
Autor:
Kharabadze, Saba, Meyers, Maxwell, Tomassetti, Charlsey R., Margine, Elena R., Mazin, Igor I., Kolmogorov, Aleksey N.
Prediction of high-$T_{\rm{c}}$ superconductivity in hole-doped Li$_x$BC two decades ago has brought about an extensive effort to synthesize new materials with honeycomb B-C layers, but the thermodynamic stability of Li-B-C compounds remains largely
Externí odkaz:
http://arxiv.org/abs/2302.05325
Autor:
Amiel, Yehezkel, Kafle, Gyanu P., Komleva, Evgenia V., Greenberg, Eran, Ponosov, Yuri S., Chariton, Stella, Lavina, Barbara, Zhang, Dongzhou, Palevski, Alexander, Ushakov, Alexey V., Mori, Hitoshi, Khomskii, Daniel I., Mazin, Igor I., Streltsov, Sergey V., Margine, Elena R., Rozenberg, Gregory Kh.
Gold is one of the most inert metals, forming very few compounds, some with rather interesting properties, and only two of them currently known to be superconducting under certain conditions (AuTe$_2$ and SrAuSi$_3$). Compounds of another noble eleme
Externí odkaz:
http://arxiv.org/abs/2301.08033