Zobrazeno 1 - 10
of 200
pro vyhledávání: '"Geoffroy Hautier"'
Autor:
Lukasz Komza, Polnop Samutpraphoot, Mutasem Odeh, Yu-Lung Tang, Milena Mathew, Jiu Chang, Hanbin Song, Myung-Ki Kim, Yihuang Xiong, Geoffroy Hautier, Alp Sipahigil
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-5 (2024)
Abstract Silicon is the ideal material for building electronic and photonic circuits at scale. Integrated photonic quantum technologies in silicon offer a promising path to scaling by leveraging advanced semiconductor manufacturing and integration ca
Externí odkaz:
https://doaj.org/article/803775a452264cad8df611ab34b1eb86
Autor:
Victor Trinquet, Francesco Naccarato, Guillaume Brunin, Guido Petretto, Ludger Wirtz, Geoffroy Hautier, Gian-Marco Rignanese
Publikováno v:
Scientific Data, Vol 11, Iss 1, Pp 1-10 (2024)
Abstract Optical materials play a key role in enabling modern optoelectronic technologies in a wide variety of domains such as the medical or the energy sector. Among them, nonlinear optical crystals are of primary importance to achieve a broader ran
Externí odkaz:
https://doaj.org/article/2326beaeefe947e4be4bc14acab109aa
Autor:
John C. Thomas, Wei Chen, Yihuang Xiong, Bradford A. Barker, Junze Zhou, Weiru Chen, Antonio Rossi, Nolan Kelly, Zhuohang Yu, Da Zhou, Shalini Kumari, Edward S. Barnard, Joshua A. Robinson, Mauricio Terrones, Adam Schwartzberg, D. Frank Ogletree, Eli Rotenberg, Marcus M. Noack, Sinéad Griffin, Archana Raja, David A. Strubbe, Gian-Marco Rignanese, Alexander Weber-Bargioni, Geoffroy Hautier
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-10 (2024)
Abstract Point defects in two-dimensional materials are of key interest for quantum information science. However, the parameter space of possible defects is immense, making the identification of high-performance quantum defects very challenging. Here
Externí odkaz:
https://doaj.org/article/47f18c8267ef4b4aaef3c2384dba21c9
Publikováno v:
npj Computational Materials, Vol 10, Iss 1, Pp 1-13 (2024)
Abstract Understanding the lattice dynamics and heat transport physics in the lead-free halide double perovskites remains an outstanding challenge due to their lattice dynamical instability and strong anharmonicity. In this work, we investigate the m
Externí odkaz:
https://doaj.org/article/b24c877b2d49431881e812bf3c677b6c
Autor:
Zhenkun Yuan, Diana Dahliah, Romain Claes, Andrew Pike, David P. Fenning, Gian-Marco Rignanese, Geoffroy Hautier
Publikováno v:
PRX Energy, Vol 3, Iss 3, p 033008 (2024)
The chalcogenide perovskite BaZrS_{3} has attracted much attention as a promising solar absorber for thin-film photovoltaics. Here we use first-principles calculations to evaluate its carrier transport and defect properties. We find that BaZrS_{3} ha
Externí odkaz:
https://doaj.org/article/cb4ba52747e9417289cac1deee25fc01
Publikováno v:
PRX Energy, Vol 3, Iss 3, p 031001 (2024)
A high-performance p-type transparent conductor (TC) does not yet exist but could lead to advances in a wide range of optoelectronic applications and enable new architectures for, e.g., next-generation photovoltaic (PV) devices. High-throughput compu
Externí odkaz:
https://doaj.org/article/c7d120e7b36f462f949de080638c2a70
Autor:
Huaiyu (Hugo) Wang, Yihuang Xiong, Hari Padma, Yi Wang, Ziqi Wang, Romain Claes, Guillaume Brunin, Lujin Min, Rui Zu, Maxwell T. Wetherington, Yu Wang, Zhiqiang Mao, Geoffroy Hautier, Long-Qing Chen, Ismaila Dabo, Venkatraman Gopalan
Publikováno v:
Nature Communications, Vol 14, Iss 1, Pp 1-10 (2023)
Abstract There is tremendous interest in employing collective excitations of the lattice, spin, charge, and orbitals to tune strongly correlated electronic phenomena. We report such an effect in a ruthenate, Ca3Ru2O7, where two phonons with strong el
Externí odkaz:
https://doaj.org/article/300e9d4c7b374552bd75e1fe5d3eb359
Autor:
Wei Chen, Antoine Hilhorst, Georgios Bokas, Stéphane Gorsse, Pascal J. Jacques, Geoffroy Hautier
Publikováno v:
Nature Communications, Vol 14, Iss 1, Pp 1-10 (2023)
Abstract High-entropy alloys have exhibited unusual materials properties. The stability of equimolar single-phase solid solution of five or more elements is supposedly rare and identifying the existence of such alloys has been challenging because of
Externí odkaz:
https://doaj.org/article/2b6286f68ddb423cb48d0a025d5b6900
Autor:
Danny Broberg, Kyle Bystrom, Shivani Srivastava, Diana Dahliah, Benjamin A. D. Williamson, Leigh Weston, David O. Scanlon, Gian-Marco Rignanese, Shyam Dwaraknath, Joel Varley, Kristin A. Persson, Mark Asta, Geoffroy Hautier
Publikováno v:
npj Computational Materials, Vol 9, Iss 1, Pp 1-12 (2023)
Abstract Calculations of point defect energetics with Density Functional Theory (DFT) can provide valuable insight into several optoelectronic, thermodynamic, and kinetic properties. These calculations commonly use methods ranging from semi-local fun
Externí odkaz:
https://doaj.org/article/5b94429270634a6abff3072a90556b10
Autor:
Chuanlong Wang, Akila C. Thenuwara, Jianmin Luo, Pralav P. Shetty, Matthew T. McDowell, Haoyu Zhu, Sergio Posada-Pérez, Hui Xiong, Geoffroy Hautier, Weiyang Li
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-11 (2022)
The low-temperature operation of non-aqueous sodium-based batteries is affected by the properties of the electrolyte. Here the authors propose specific electrolyte formulations that are thermally stable down to −150 °C and enable a stable electrod
Externí odkaz:
https://doaj.org/article/0b5a15ac9e604133b799a8520ea05c70