Zobrazeno 1 - 10
of 46
pro vyhledávání: '"Leon Petit"'
Autor:
Bruno Merk, Anna Detkina, Dzianis Litskevich, Michael Drury, Omid Noori-kalkhoran, Gregory Cartland-Glover, Leon Petit, Stefano Rolfo, Justin P. Elliott, Andrew R. Mount
Publikováno v:
Applied Sciences, Vol 12, Iss 9, p 4124 (2022)
Nuclear fission technologies have the potential to play a significant role in the energy mix of a net-zero and sustainable society. However, to achieve the sustainability goal two significant challenges remain: efficient and sustainable fuel usage an
Externí odkaz:
https://doaj.org/article/e260bfca704244efb3af7257f0f9639c
Publikováno v:
Physical Review B. 106
Antiferromagnets (AFMs) are strong candidates for the future spintronic and memory applications largely\ud because of their inherently fast dynamics and lack of stray fields, with Mn2Au being one of the most promising.\ud For the numerical modeling o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::656bc9fe8c417105f6f03251ac1fa7e0
https://doi.org/10.1103/physrevb.106.094402
https://doi.org/10.1103/physrevb.106.094402
Review of actual hardware and software solutions and recommendations to software vendors
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8470909cba8ba271a91e1518b4e40570
Publikováno v:
Phase Transitions. 80:415-443
A review is given of pressure induced valence transitions in f-electron systems calculated with the self-interaction corrected local spin density (SIC-LSD) approximation. These calculations show that the SIC-LSD is able to describe valence changes as
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::74ea07d332907a9cc5234fa749dc041b
https://doi.org/10.1080/01411590701228703
https://doi.org/10.1080/01411590701228703
Publikováno v:
Journal of Alloys and Compounds. 400:56-61
The high-pressure structural behaviour of CeO2 and PrO2 has been investigated by synchrotron X-ray diffraction at pressures up to 20 and 35 GPa, respectively. The experiments are accompanied by first principles calculations using the self-interaction
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::73c94e32fecb4d5b05a849ce00eabef3
https://doi.org/10.1016/j.jallcom.2005.04.008
https://doi.org/10.1016/j.jallcom.2005.04.008
Publikováno v:
Journal of Physics: Condensed Matter. 16:4429-4440
The electronic structure of the praseodymium monopnictides and monochalcogenides is studied using the self-interaction corrected (SIC) local spin density (LSD) approximation. This method allows for a description of the Pr ions with some f electrons l
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f10e88b146e003f0e517677a304ad030
https://doi.org/10.1088/0953-8984/16/25/004
https://doi.org/10.1088/0953-8984/16/25/004
Autor:
Leon Petit, G. Banach, R. Tyer, Gillian A. Gehring, Walter Temmerman, A. Svane, Zdzislawa Szotek
Publikováno v:
Europhysics Letters (EPL). 65:519-525
The first-principles SIC-LSD theory is utilized to study electronic, magnetic and orbital phenomena in LaMnO$_{3}$. The correct ground state is found, which is antiferro orbitally ordered with the spin magnetic moments antiferromagnetically aligned.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::717d6dce71de9b35d7c3a092733b97d0
https://doi.org/10.1209/epl/i2003-10117-0
https://doi.org/10.1209/epl/i2003-10117-0
Publikováno v:
Petit, L, Svane, A, Temmerman, W M & Szotek, Z 2002, ' Electronic structure of Pu monochalcogenides and monopnictides ', Eur. Phys. J. B., vol. 25 .
The electronic and magnetic properties of Pu monopnictides and monochalcogenides, PuX (X = N, P, As, Sb, Bi, O, S, Se, Te, Po), are studied using the ab initio>"> self-interaction-corrected local spin-density approximation. This approach allows for a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a8fcfacc34749c09e21e9ffc3d55aa14
https://doi.org/10.1140/epjb/e20020016
https://doi.org/10.1140/epjb/e20020016
Publikováno v:
Solid State Communications. 116:379-383
The electronic structures of the actinide metals are calculated with the self-interaction corrected local-spin-density approximation. This scheme allows for a splitting of the 5f electron manifold into an integral number of localized electrons and a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2188618fac9f1122a052bc3e0dcfe2a0
https://doi.org/10.1016/s0038-1098(00)00343-4
https://doi.org/10.1016/s0038-1098(00)00343-4
Publikováno v:
Petit, L, Svane, A, Szotek, Z, Temmerman, W M & Stocks, G M 2010, ' Electronic structure and ionicity of actinide oxides from first principles ', Physical Review B, vol. 81, pp. 045108 . https://doi.org/10.1103/PhysRevB.81.045108
The ground-state electronic structures of the actinide oxides $A\text{O}$, ${A}_{2}{\text{O}}_{3}$, and $A{\text{O}}_{2}$ ($A=\text{U}$, Np, Pu, Am, Cm, Bk, and Cf) are determined from first-principles calculations, using the self-interaction correct
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::af2ede15d665c85083ca53f650f6a04d
https://doi.org/10.1103/physrevb.81.045108
https://doi.org/10.1103/physrevb.81.045108