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Page 1
Self-consistent aspects of x-ray absorption calculations.
Bunău O, Joly Y. Bunău O, et al. J Phys Condens Matter. 2009 Aug 26;21(34):345501. doi: 10.1088/0953-8984/21/34/345501. Epub 2009 Aug 5. J Phys Condens Matter. 2009. PMID: 21715786
[No authors listed] [No authors listed] PMID: 28952966
Full potential x-ray absorption calculations using time dependent density functional theory.
Bunău O, Joly Y. Bunău O, et al. J Phys Condens Matter. 2012 May 30;24(21):215502. doi: 10.1088/0953-8984/24/21/215502. Epub 2012 Apr 25. J Phys Condens Matter. 2012. PMID: 22534142
Large orbital magnetic moment in Pt₁₃ clusters.
Bunău O, Bartolomé J, Bartolomé F, Garcia LM. Bunău O, et al. J Phys Condens Matter. 2014 May 14;26(19):196006. doi: 10.1088/0953-8984/26/19/196006. Epub 2014 Apr 24. J Phys Condens Matter. 2014. PMID: 24883454
Advanced capabilities for materials modelling with Quantum ESPRESSO.
Giannozzi P, Andreussi O, Brumme T, Bunau O, Buongiorno Nardelli M, Calandra M, Car R, Cavazzoni C, Ceresoli D, Cococcioni M, Colonna N, Carnimeo I, Dal Corso A, de Gironcoli S, Delugas P, DiStasio RA, Ferretti A, Floris A, Fratesi G, Fugallo G, Gebauer R, Gerstmann U, Giustino F, Gorni T, Jia J, Kawamura M, Ko HY, Kokalj A, Küçükbenli E, Lazzeri M, Marsili M, Marzari N, Mauri F, Nguyen NL, Nguyen HV, Otero-de-la-Roza A, Paulatto L, Poncé S, Rocca D, Sabatini R, Santra B, Schlipf M, Seitsonen AP, Smogunov A, Timrov I, Thonhauser T, Umari P, Vast N, Wu X, Baroni S. Giannozzi P, et al. Among authors: bunau o. J Phys Condens Matter. 2017 Nov 22;29(46):465901. doi: 10.1088/1361-648X/aa8f79. Epub 2017 Oct 24. J Phys Condens Matter. 2017. PMID: 29064822 Free article.
Understanding the photomagnetic behavior in copper octacyanomolybdates.
Bunău O, Arrio MA, Sainctavit P, Paulatto L, Calandra M, Juhin A, Marvaud V, Cartier dit Moulin C. Bunău O, et al. J Phys Chem A. 2012 Aug 30;116(34):8678-83. doi: 10.1021/jp303716z. Epub 2012 Aug 17. J Phys Chem A. 2012. PMID: 22857603
Controlled cobalt doping in the spinel structure of magnetosome magnetite: new evidences from element- and site-specific X-ray magnetic circular dichroism analyses.
Li J, Menguy N, Arrio MA, Sainctavit P, Juhin A, Wang Y, Chen H, Bunau O, Otero E, Ohresser P, Pan Y. Li J, et al. Among authors: bunau o. J R Soc Interface. 2016 Aug;13(121):20160355. doi: 10.1098/rsif.2016.0355. J R Soc Interface. 2016. PMID: 27512138 Free PMC article.
DEIMOS: a beamline dedicated to dichroism measurements in the 350-2500 eV energy range.
Ohresser P, Otero E, Choueikani F, Chen K, Stanescu S, Deschamps F, Moreno T, Polack F, Lagarde B, Daguerre JP, Marteau F, Scheurer F, Joly L, Kappler JP, Muller B, Bunau O, Sainctavit P. Ohresser P, et al. Among authors: bunau o. Rev Sci Instrum. 2014 Jan;85(1):013106. doi: 10.1063/1.4861191. Rev Sci Instrum. 2014. PMID: 24517744
Ground state of the quasi-1D compound BaVS3 resolved by resonant magnetic x-ray scattering.
Leininger P, Ilakovac V, Joly Y, Schierle E, Weschke E, Bunau O, Berger H, Pouget JP, Foury-Leylekian P. Leininger P, et al. Among authors: bunau o. Phys Rev Lett. 2011 Apr 22;106(16):167203. doi: 10.1103/PhysRevLett.106.167203. Epub 2011 Apr 21. Phys Rev Lett. 2011. PMID: 21599408