Zobrazeno 1 - 10
of 82
pro vyhledávání: '"Gopal, Priya"'
Autor:
Sławińska, Jagoda, Cerasoli, Frank T., Gopal, Priya, Costa, Marcio, Curtarolo, Stefano, Nardelli, Marco Buongiorno
Publikováno v:
2D Materials 7, 025026 (2020)
Spin transistors based on a semiconducting channel attached to ferromagnetic electrodes suffer from fast spin decay and extremely low spin injection/detection efficiencies. Here, we propose an alternative all-in-one spin device whose operation princi
Externí odkaz:
http://arxiv.org/abs/1909.13865
Autor:
Poudel, Yuba, Slawinska, Jagoda, Gopal, Priya, Seetharaman, Sairaman, Hennighausen, Zachariah, Kar, Swastik, Dsouza, Francis, Nardelli, Marco Buongiorno, Neogi, Arup
Semiconductor heterostructures based on layered two-dimensional transition metal dichalcogenides (TMD) interfaced to gallium nitride (GaN) are excellent material systems to realize broadband light emitters and absorbers. The surface properties of the
Externí odkaz:
http://arxiv.org/abs/1906.03899
Autor:
Toher, Cormac, Oses, Corey, Hicks, David, Gossett, Eric, Rose, Frisco, Nath, Pinku, Usanmaz, Demet, Ford, Denise C., Perim, Eric, Calderon, Camilo E., Plata, Jose J., Lederer, Yoav, Jahnátek, Michal, Setyawan, Wahyu, Wang, Shidong, Xue, Junkai, Rasch, Kevin, Chepulskii, Roman V., Taylor, Richard H., Gomez, Geena, Shi, Harvey, Supka, Andrew R., Orabi, Rabih Al Rahal Al, Gopal, Priya, Cerasoli, Frank T., Liyanage, Laalitha, Wang, Haihang, Siloi, Ilaria, Agapito, Luis A., Nyshadham, Chandramouli, Hart, Gus L. W, Carrete, Jesús, Legrain, Fleur, Mingo, Natalio, Zurek, Eva, Isayev, Olexandr, Tropsha, Alexander, Sanvito, Stefano, Hanson, Robert M., Takeuchi, Ichiro, Mehl, Michael J., Kolmogorov, Aleksey N., Yang, Kesong, D'Amico, Pino, Calzolari, Arrigo, Costa, Marcio, De Gennaro, Riccardo, Nardelli, Marco Buongiorno, Fornari, Marco, Levy, Ohad, Curtarolo, Stefano
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:
http://arxiv.org/abs/1712.00422
Autor:
Gopal, Priya, De Gennaro, Riccardo, Gusmao, Marta S., Orabi, Rabih Al Rahal Al, Wang, Haihang, Curtarolo, Stefano, Fornari, Marco, Nardelli, Marco Buongiorno
We discuss the application of the Agapito Curtarolo and Buongiorno Nardelli (ACBN0) pseudo-hybrid Hubbard density functional to several transition metal oxides. ACBN0 is a fast, accurate and parameter-free alternative to traditional DFT+$U$ and hybri
Externí odkaz:
http://arxiv.org/abs/1705.00194
Autor:
Gopal, Priya, Fornari, Marco, Curtarolo, Stefano, Agapito, Luis A., Liyanage, Laalitha S. I., Nardelli, Marco Buongiorno
We study the physical properties of Zn$X$ ($X$=O, S, Se, Te) and Cd$X$ ($X$=O, S, Se, Te) in the zinc-blende, rock-salt, and wurtzite structures using the recently developed fully $ab$ $initio$ pseudo-hybrid Hubbard density functional ACBN0. We find
Externí odkaz:
http://arxiv.org/abs/1505.05245
Autor:
Gopal, Priya, Spaldin, Nicola A.
We calculate the nature of magnetic interactions in transition-metal doped ZnO using the local spin density approximation and LSDA+\textit{U} method of density functional theory. We investigate the following four cases: (i) single transition metal io
Externí odkaz:
http://arxiv.org/abs/cond-mat/0605543
Autor:
Gopal, Priya, Spaldin, Nicola
Publikováno v:
Journal of Electronic Materials 35 (4), 538-542 (2005)
We report first principles density functional calculations of the spontaneous polarizations, piezoelectric constants and elastic constants for the II-VI wurtzite structure ZnO, MgO and CdO. Using our self interaction corrected implementation of densi
Externí odkaz:
http://arxiv.org/abs/cond-mat/0507217
We present results of a density functional theory study of MnO in the wurtzite structure. Our motivation is provided by recent experiments reporting ferromagnetism in Mn-doped wurtzite structure ZnO. We find that wurtzite MnO a) is not strongly energ
Externí odkaz:
http://arxiv.org/abs/cond-mat/0311529
Autor:
Supka, Andrew R., Lyons, Troy E., Liyanage, Laalitha, D’Amico, Pino, Al Rahal Al Orabi, Rabih, Mahatara, Sharad, Gopal, Priya, Toher, Cormac, Ceresoli, Davide, Calzolari, Arrigo, Curtarolo, Stefano, Nardelli, Marco Buongiorno, Fornari, Marco
Publikováno v:
In Computational Materials Science August 2017 136:76-84
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