Analogs of Rashba-Edelstein effect from density functional theory

Autor: Karma Tenzin, Arunesh Roy, Homayoun Jafari, Bruno Banas, Frank T. Cerasoli, Mihir Date, Anooja Jayaraj, Marco Buongiorno Nardelli, Jagoda Sławińska

Publikováno v: Physical Review B, 107(16):165140. AMER PHYSICAL SOC

Studies of structure-property relationships in spintronics are essential for the design of materials that can fill specific roles in devices. For example, materials with low symmetry allow unconventional configurations of charge-to-spin conversion wh

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a9d6b79a72e04f00f695360a278c358f
https://research.rug.nl/en/publications/e83c7d3b-4489-419f-b72d-a6fdefeaddfd

Evolution of structure and transport properties of the Ba8Cu16P30 clathrate-I framework with the introduction of Ga

Autor: Arka Sarkar, Gayatri Viswanathan, Philip Yox, Stasia Harycki, Frank T. Cerasoli, Jian Wang, Frédéric A. Perras, Alexander Gundlach-Graham, Davide Donadio, Kirill Kovnir

Publikováno v: Applied Physics Letters. 120

Two type-I clathrates were synthesized by introducing Ga into the framework of the Ba8Cu16P30 type-I clathrate. The introduction of minute amounts of Ga, 1.9% Ga/Mtotal (where Mtotal = Cu + Ga), resulted in the disturbance of the completely ordered P

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::a9db60a8151550b49f465718236eae15
https://doi.org/10.1063/5.0093646

PAOFLOW: A utility to construct and operate on ab initio Hamiltonians from the projections of electronic wavefunctions on atomic orbital bases, including characterization of topological materials

Autor: Laalitha Liyanage, Marco Buongiorno Nardelli, Frank T. Cerasoli, Haihang Wang, Stefano Curtarolo, Andrew Supka, Riccardo De Gennaro, Marcio Costa, Marco Fornari

Publikováno v: Computational Materials Science. 143:462-472

PAOFLOW is a utility for the analysis and characterization of materials properties from the output of electronic structure calculations. By exploiting an efficient procedure to project the full plane-wave solution on a reduced space of atomic orbital

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::e651f14cd08d376c84640405ef2df0b9
https://doi.org/10.1016/j.commatsci.2017.11.034

The AFLOW Fleet for Materials Discovery

Autor: Cormac Toher, Corey Oses, David Hicks, Eric Gossett, Frisco Rose, Pinku Nath, Demet Usanmaz, Denise C. Ford, Eric Perim, Camilo E. Calderon, Jose J. Plata, Yoav Lederer, Michal Jahnátek, Wahyu Setyawan, Shidong Wang, Junkai Xue, Kevin Rasch, Roman V. Chepulskii, Richard H. Taylor, Geena Gomez, Harvey Shi, Andrew R. Supka, Rabih Al Rahal Al Orabi, Priya Gopal, Frank T. Cerasoli, Laalitha Liyanage, Haihang Wang, Ilaria Siloi, Luis A. Agapito, Chandramouli Nyshadham, Gus L. W Hart, Jesús Carrete, Fleur Legrain, Natalio Mingo, Eva Zurek, Olexandr Isayev, Alexander Tropsha, Stefano Sanvito, Robert M. Hanson, Ichiro Takeuchi, Michael J. Mehl, Aleksey N. Kolmogorov, Kesong Yang, Pino D’Amico, Arrigo Calzolari, Marcio Costa, Riccardo De Gennaro, Marco Buongiorno Nardelli, Marco Fornari, Ohad Levy, Stefano Curtarolo

Publikováno v: Handbook of Materials Modeling, edited by Andreoni W., Yip S., pp. 1–28, 2018
info:cnr-pdr/source/autori:Cormac Toher, Corey Oses, David Hicks, Eric Gossett, Frisco Rose, Pinku Nath, Demet Usanmaz, Denise C. Ford, Eric Perim, Camilo E. Calderon, Jose J. Plata, Yoav Lederer, Michal Jahnátek, Wahyu Setyawan, Shidong Wang, Junkai Xue, Kevin Rasch, Roman V. Chepulskii, Richard H. Taylor, Geena Gomez, Harvey Shi, Andrew R. Supka, Rabih Al Rahal Al Orabi, Priya Gopal, Frank T. Cerasoli, Laalitha Liyanage, Haihang Wang, Ilaria Siloi, Luis A. Agapito, Chandramouli Nyshadham, Gus L. W Hart, Jesús Carrete, Fleur Legrain, Natalio Mingo, Eva Zurek, Olexandr Isayev, Alexander Tropsha, Stefano Sanvito, Robert M. Hanson, Ichiro Takeuchi, Michael J. Mehl, Aleksey N. Kolmogorov, Kesong Yang, Pino D'Amico, Arrigo Calzolari, Marcio Costa, Riccardo De Gennaro, Marco Buongiorno Nardelli, Marco Fornari, Ohad Levy, and Stefano Curtarolo/titolo:The AFLOW Fleet for Materials Discovery/titolo_volume:Handbook of Materials Modeling/curatori_volume:Andreoni W., Yip S./editore:/anno:2018
Handbook of Materials Modeling ISBN: 9783319429137

The traditional paradigm for materials discovery has been recently expanded to incorporate substantial data-driven research. With the intent to accelerate the development and the deployment of new technologies, the AFLOW Fleet for computational mater

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1aa1ca4215bebf4d9e4e36b7504b7e77
http://hdl.handle.net/11577/3416498

Giant spin Hall effect in two-dimensional monochalcogenides.

Autor: Jagoda Sławińska, Frank T Cerasoli, Haihang Wang, Sara Postorino, Andrew Supka, Stefano Curtarolo, Marco Fornari, Marco Buongiorno Nardelli

Publikováno v: 2D Materials; Apr2019, Vol. 6 Issue 2, p1-1, 1p