Resultados globales: 5 registros encontrados en 0.02 segundos.
Artículos, Encontrados 5 registros
Artículos Encontrados 5 registros  
1.
12 p, 1004.2 KB Spectroscopic properties of few-layer tin chalcogenides / Dewandre, Antoine (Université de Liège. Department of Physics) ; Verstraete, Matthieu J. (Université de Liège. Department of Physics) ; Grobert, Nicole (University of Oxford. Department of Materials) ; Zanolli, Zeila (Institut Català de Nanociència i Nanotecnologia)
Stable structures of layered SnS and SnSe and their associated electronic and vibrational spectra are predicted using first-principles DFT calculations. The calculations show that both materials undergo a phase transformation upon thinning whereby the in-plane lattice parameters ratio a/b converges towards 1, similar to the high-temperature behaviour observed for their bulk counterparts. [...]
2019 - 10.1088/2515-7639/ab3513
Journal of physics: Materials, Vol. 2, Núm. 4 (October 2019) , art. 044005  
2.
27 p, 1.9 MB ABINIT : overview and focus on selected capabilities / Romero, Aldo H. (West Virginia University. Physics and Astronomy Department) ; Allan, D.C. (Corning Incorporated) ; Amadon, B. (CEA DAM-DIF) ; Antonius, G. (U. du Québec À Trois-Rivières) ; Applencourt, T. (CEA DAM-DIF) ; Baguet, L. (Sorbonne Université) ; Bieder, J. (Université de Liège) ; Bottin, F. (CEA DAM-DIF) ; Bouchet, J. (CEA DAM-DIF) ; Bousquet, E. (Université de Liège) ; Bruneval, F. (Université Paris-Saclay) ; Brunin, G. (Institute of Condensed Matter and Nanoscience. UCLouvain) ; Caliste, D. (University Grenoble Alpes) ; Côté, M. (U. de Montréal) ; Denier, J. (CEA DAM-DIF) ; Dreyer, C. (Center for Computational Quantum Physics. Flatiron Institute) ; Ghosez, P. (Université de Liège) ; Giantomassi, M. (European Theoretical Spectroscopy Facility) ; Gillet, Y. (Institute of Condensed Matter and Nanoscience. UCLouvain) ; Gingras, O. (U. de Montréal) ; Hamann, D.R. (Mat-Sim Research LLC) ; Hautier, G. (Institute of Condensed Matter and Nanoscience. UCLouvain) ; Jollet, F. (CEA DAM-DIF) ; Jomard, G. (CEA. DEN. DEC) ; Martin, A. (Université de Liège) ; Miranda, H.P.C. (Institute of Condensed Matter and Nanoscience. UCLouvain) ; Naccarato, F. (Institute of Condensed Matter and Nanoscience. UCLouvain) ; Petretto, G. (Institute of Condensed Matter and Nanoscience. UCLouvain) ; Pike, N.A. (Université de Liège) ; Planes, V. (CEA DAM-DIF) ; Prokhorenko, S. (Université de Liège) ; Rangel, T. (CEA DAM-DIF) ; Ricci, F. (Université de Liège) ; Rignanese, G.M. (European Theoretical Spectroscopy Facility) ; Royo, Miquel (Institut de Ciència de Materials de Barcelona) ; Stengel, Massimiliano (Institut de Ciència de Materials de Barcelona) ; Torrent, Marc (CEA DAM-DIF) ; Van Setten, M.J. (IMEC) ; Van Troeye, B. (Rensselaer Polytechnic Institute) ; Verstraete, Matthieu J. (Institut Català de Nanociència i Nanotecnologia) ; Wiktor, J. (Chalmers University of Technology) ; Zwanziger, J.W. (Dalhousie Univeristy) ; Gonze, X. (Skolkovo Institute of Science and Technology)
ABINIT is probably the first electronic-structure package to have been released under an open-source license about 20 years ago. It implements density functional theory, density-functional perturbation theory (DFPT), many-body perturbation theory (GW approximation and Bethe-Salpeter equation), and more specific or advanced formalisms, such as dynamical mean-field theory (DMFT) and the "temperature-dependent effective potential" approach for anharmonic effects. [...]
2020 - 10.1063/1.5144261
Journal of chemical physics, Vol. 152, Issue 12 (March 2020) , art. 124102  
3.
31 p, 9.5 MB Low-Energy Phases of Bi Monolayer Predicted by Structure Search in Two Dimensions / Singh, Sobhit (Rutgers University. Department of Physics and Astronomy) ; Zanolli, Zeila (Institut Català de Nanociència i Nanotecnologia) ; Amsler, Maximilian (Cornell University) ; Belhadji, Brahim (Université de Liège) ; Sofo, Jorge O. (Pennsylvania State University) ; Verstraete, Matthieu J. (Institut Català de Nanociència i Nanotecnologia) ; Romero, Aldo H. (West Virginia University. Physics and Astronomy Department)
We employ an ab-initio structure search algorithm to explore the configurational space of bismuth in quasi-two dimensions. A confinement potential is introduced to restrict the movement of atoms within a predefined thickness to find the stable and metastable forms of monolayer Bi. [...]
2019 - 10.1021/acs.jpclett.9b03043
Journal of physical chemistry letters, Vol. 10, Issue 23 (December 2019) , p. 7324-7332  
4.
14 p, 5.9 MB Hybrid quantum anomalous Hall effect at graphene-oxide interfaces / Zanolli, Zeila (Institut Català de Nanociència i Nanotecnologia) ; Niu, C. (Peter Grünberg Institut) ; Bihlmayer, G. (Peter Grünberg Institut) ; Mokrousov, Y. (Johannes Gutenberg University Mainz) ; Mavropoulos, P. (Peter Grünberg Institut) ; Verstraete, Matthieu J. (Université de Liège) ; Blügel, S. (Peter Grünberg Institut)
Interfaces are ubiquitous in materials science, and in devices in particular. As device dimensions are constantly shrinking, understanding the physical properties emerging at interfaces is crucial to exploit them for applications, here for spintronics. [...]
2018 - 10.1103/PhysRevB.98.155404
Physical review B, Vol. 98, Issue 15 (October 2018) , art. 155404  
5.
10 p, 2.0 MB Spin states protected from intrinsic electron-phonon coupling reaching 100 ns lifetime at room temperature in MoSe₂ / Ersfeld, Manfred (RWTH Aachen University) ; Volmer, Frank (RWTH Aachen University) ; Melo, Pedro Miguel M.C. de (Université de Liège. Complex and Entangled Systems from Atoms to Materials) ; Winter, Robin de (RWTH Aachen University) ; Heithoff, Maximilian (RWTH Aachen University) ; Zanolli, Zeila (Institut Català de Nanociència i Nanotecnologia) ; Stampfer, Cristoph (RWTH Aachen University) ; Verstraete, Matthieu J. (Université de Liège. Complex and Entangled Systems from Atoms to Materials) ; Beschoten, Bernd (RWTH Aachen University)
We present time-resolved Kerr rotation measurements, showing spin lifetimes of over 100 ns at room temperature in monolayer MoSe. These long lifetimes are accompanied by an intriguing temperature-dependence of the Kerr amplitude, which increases with temperature up to 50 K and then abruptly switches sign. [...]
2019 - 10.1021/acs.nanolett.9b01485
Nano letters, Vol. 19, issue 6 (June 2019) , p. 4083-4090  

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