Zobrazeno 1 - 10
of 476
pro vyhledávání: '"G, Hennig"'
Publikováno v:
npj Quantum Materials, Vol 9, Iss 1, Pp 1-9 (2024)
Abstract Motivated by the recent observation of superconductivity with T c ~ 80 K in pressurized La3Ni2O7 1, we explore the structural and electronic properties of A 3Ni2O7 bilayer nickelates (A = La-Lu, Y, Sc) as a function of pressure (0–150 GPa)
Externí odkaz:
https://doaj.org/article/4259e5480ff14829a614ece741ed515d
Autor:
Feifei Xiang, Lysander Huberich, Preston A. Vargas, Riccardo Torsi, Jonas Allerbeck, Anne Marie Z. Tan, Chengye Dong, Pascal Ruffieux, Roman Fasel, Oliver Gröning, Yu-Chuan Lin, Richard G. Hennig, Joshua A. Robinson, Bruno Schuler
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-9 (2024)
Abstract The functionality of atomic quantum emitters is intrinsically linked to their host lattice coordination. Structural distortions that spontaneously break the lattice symmetry strongly impact their optical emission properties and spin-photon i
Externí odkaz:
https://doaj.org/article/2eccbe18c3ec4319aa9173e3c7c81cd2
Publikováno v:
npj Computational Materials, Vol 9, Iss 1, Pp 1-9 (2023)
Abstract All-atom dynamics simulations are an indispensable quantitative tool in physics, chemistry, and materials science, but large systems and long simulation times remain challenging due to the trade-off between computational efficiency and predi
Externí odkaz:
https://doaj.org/article/2e1151e925fc4c0dba9fc93c741a4363
Autor:
J. Lim, A. C. Hire, Y. Quan, J. S. Kim, S. R. Xie, S. Sinha, R. S. Kumar, D. Popov, C. Park, R. J. Hemley, Y. K. Vohra, J. J. Hamlin, R. G. Hennig, P. J. Hirschfeld, G. R. Stewart
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-9 (2022)
In 2001 superconductivity with a high critical temperature of 39 K was discovered in MgB2, but efforts since then to identify other diboride-family superconductors have been mostly unsuccessful. Here, the authors report the discovery of superconducti
Externí odkaz:
https://doaj.org/article/ccbabfda73334abe8ec0655026b7c144
Publikováno v:
npj Computational Materials, Vol 8, Iss 1, Pp 1-7 (2022)
Abstract Computational materials discovery has grown in utility over the past decade due to advances in computing power and crystal structure prediction algorithms (CSPA). However, the computational cost of the ab initio calculations required by CSPA
Externí odkaz:
https://doaj.org/article/c108e185cf1d426b984b58b7ba820dcc
Autor:
S. R. Xie, Y. Quan, A. C. Hire, B. Deng, J. M. DeStefano, I. Salinas, U. S. Shah, L. Fanfarillo, J. Lim, J. Kim, G. R. Stewart, J. J. Hamlin, P. J. Hirschfeld, R. G. Hennig
Publikováno v:
npj Computational Materials, Vol 8, Iss 1, Pp 1-8 (2022)
Abstract The Eliashberg theory of superconductivity accounts for the fundamental physics of conventional superconductors, including the retardation of the interaction and the Coulomb pseudopotential, to predict the critical temperature T c. McMillan,
Externí odkaz:
https://doaj.org/article/c25d0db147d04280aefda86430a4ab02
Autor:
Joshua T. Paul, Alice Galdi, Christopher Parzyck, Kyle M. Shen, Jared Maxson, Richard G. Hennig
Publikováno v:
npj Computational Materials, Vol 7, Iss 1, Pp 1-6 (2021)
Abstract The discovery of substrate materials has been dominated by trial and error, opening the opportunity for a systematic search. We generate bonding networks for materials from the Materials Project and systematically break up to three bonds in
Externí odkaz:
https://doaj.org/article/50df639230ae4ccfb15d38794a987f2e
Publikováno v:
The Journal of Physical Chemistry C. 127:3339-3348
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cb7376c28329f18f7e6a53e255396cfd
https://doi.org/10.1021/acs.jpcc.2c08458
https://doi.org/10.1021/acs.jpcc.2c08458
Publikováno v:
The Journal of Physical Chemistry Letters. 13:12049-12054
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5d8a7eb4e17cae1f7093b228cf6e1039
https://doi.org/10.1021/acs.jpclett.2c03388
https://doi.org/10.1021/acs.jpclett.2c03388
Publikováno v:
Materials & Design, Vol 188, Iss , Pp - (2020)
Phase diagram and diffusion coefficients of the Fe-Zn binary system are required to predict and control the microstructure of galvanized zinc coatings and thus were systematically investigated in the temperature range from 700 to 1100 °C using nine
Externí odkaz:
https://doaj.org/article/9e84b8f70f6d42a1b483b42c16efbab5