Zobrazeno 1 - 10
of 682
pro vyhledávání: '"Marzari N."'
Autor:
Biniskos, N., Santos, F. J. dos, Dias, M. dos Santos, Raymond, S., Schmalzl, K., Steffens, P., Persson, J., Marzari, N., Blügel, S., Lounis, S., Brückel, T.
Publikováno v:
APL Mater 11, 081103 (2023)
The metallic compound Mn$_5$Si$_3$ hosts a series of antiferromagnetic phases which can be controlled by external stimuli such as temperature and magnetic field. In this work, we investigate the spin-excitation spectrum of bulk Mn$_5$Si$_3$ by combin
Externí odkaz:
http://arxiv.org/abs/2305.02409
Autor:
Dias, M. dos Santos, Biniskos, N., Santos, F. J. dos, Schmalzl, K., Persson, J., Bourdarot, F., Marzari, N., Blügel, S., Brückel, T., Lounis, S.
Publikováno v:
Nat Commun 14, 7321 (2023)
The phase of the quantum-mechanical wave function can encode a topological structure with wide-ranging physical consequences, such as anomalous transport effects and the existence of edge states robust against perturbations. While this has been exhau
Externí odkaz:
http://arxiv.org/abs/2211.16925
Autor:
Biniskos, N., Santos, F. J. dos, Schmalzl, K., Raymond, S., Dias, M. dos Santos, Persson, J., Marzari, N., Blügel, S., Lounis, S., Brückel, T.
The investigations of the interconnection between micro- and macroscopic properties of materials hosting noncollinear antiferromagnetic ground states are challenging. These forefront studies are crucial for unraveling the underlying mechanisms at pla
Externí odkaz:
http://arxiv.org/abs/2112.03368
Autor:
Gilardi, E., Materzanini, G., Kahle, L., Doebeli, M., Lacey, S., Cheng, X., Marzari, N., Pergolesi, D., Hintennach, A., Lippert, T.
Publikováno v:
ACS Appl. Energy Mater. 2020, XXXX, XXX, XXX-XXX
Solid-state electrolytes for Li-ion batteries are attracting growing interest as they allow building safer batteries, also using lithium metal anodes. Here we studied a compound in the lithium superionic conductor (LISICON) family, i.e. Li4-xGe1-xPxO
Externí odkaz:
http://arxiv.org/abs/2010.02608
Autor:
Banszerus, L., Sohier, T., Epping, A., Winkler, F., Libisch, F., Haupt, F., Watanabe, K., Taniguchi, T., Müller-Caspary, K., Marzari, N., Mauri, F., Beschoten, B., Stampfer, C.
High carrier mobilities play a fundamental role for high-frequency electronics, integrated optoelectronics as well as for sensor and spintronic applications, where device performance is directly linked to the magnitude of the carrier mobility. Van de
Externí odkaz:
http://arxiv.org/abs/1909.09523
Autor:
Cucchi, I., Marrazzo, A., Cappelli, E., Ricco, S., Bruno, F. Y., Lisi, S., Hoesch, M., Kim, T. K., Cacho, C., Besnard, C., Giannini, E., Marzari, N., Gibertini, M., Baumberger, F., Tamai, A.
Publikováno v:
Phys. Rev. Lett. 124, 106402 (2020)
We report high-resolution angle resolved photoemission measurements on single crystals of Pt2HgSe3 grown by high-pressure synthesis. Our data reveal a gapped Dirac nodal line whose (001)-projection separates the surface Brillouin zone in topological
Externí odkaz:
http://arxiv.org/abs/1909.05051
Autor:
Puppin, M., Polishchuk, S., Colonna, N., Crepaldi, A., Dirin, D. N., Nazarenko, O., De Gennaro, R., Gatti, G., Roth, S., Barillot, T., Poletto, L., Xian, R. P., Rettig, L., Wolf, M., Ernstorfer, R., Kovalenko, M. V., Marzari, N., Grioni, M., Chergui, M.
Publikováno v:
Phys. Rev. Lett. 124, 206402 (2020)
Lead-halide perovskite (LHP) semiconductors are emergent optoelectronic materials with outstanding transport properties which are not yet fully understood. We find signatures of large polaron formation in the electronic structure of the inorganic LHP
Externí odkaz:
http://arxiv.org/abs/1909.00248
Autor:
Giannozzi, P., Andreussi, O., Brumme, T., Bunau, O., Nardelli, M. Buongiorno, Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Cococcioni, M., Colonna, N., Carnimeo, I., Corso, A. Dal, de Gironcoli, S., Delugas, P., DiStasio Jr., R. A., Ferretti, A., Floris, A., Fratesi, G., Fugallo, G., Gebauer, R., Gerstmann, U., Giustino, F., Gorni, T., Jia, J., Kawamura, M., Ko, H. -Y., Kokalj, A., Küçükbenli, E., Lazzeri, M., Marsili, M., Marzari, N., Mauri, F., Nguyen, N. L., Nguyen, H. -V., Otero-de-la-Roza, A., Paulatto, L., Poncé, S., Rocca, D., Sabatini, R., Santra, B., Schlipf, M., Seitsonen, A. P., Smogunov, A., Timrov, I., Thonhauser, T., Umari, P., Vast, N., Wu, X., Baroni, S.
Publikováno v:
J. Phys.: Condens. Matter 29, 465901 (2017)
Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory, and many-bo
Externí odkaz:
http://arxiv.org/abs/1709.10010
The computational study of chemical reactions in complex, wet environments is critical for applications in many fields. It is often essential to study chemical reactions in the presence of applied electrochemical potentials, taking into account the n
Externí odkaz:
http://arxiv.org/abs/1509.00680
Autor:
Kucukbenli, E., Monni, M., Adetunji, B. I., Ge, X., Adebayo, G. A., Marzari, N., de Gironcoli, S., Corso, A. Dal
We construct a reference database of materials properties calculated using density-functional theory in the local or generalized-gradient approximation, and an all-electron or a projector augmented-wave (PAW) formulation, for verification and validat
Externí odkaz:
http://arxiv.org/abs/1404.3015