Publications

Recent Publications by CCP9 CoSeC staff:

• “An overview of the spin dynamics of antiferromagnetic Mn₅Si₃“, APL Materials 11, 081103 (2023), Santos, F. J.; M. dos Santos Dias, Raymond, S.; Schmalzl, K.; Steffens, P.; Persson, J.; Marzari, N.; Blügel, S.; Lounis, S. & Brückel, T.
• “CrTe₂ as a two-dimensional material for topological magnetism in complex heterobilayers“, Phys Rev B 108, 094409 (2023), N. Abuawwad, M. dos Santos Dias, H. Abusara, and S. Lounis.
• “Microscopic theory of spin relaxation of a single Fe adatom coupled to substrate vibrations”, Phys. Rev. B 107, 144417 (2023) H. Garai-Marin, M. dos Santos Dias, S. Lounis, J. Ibañez-Azpiroz, and A. Eiguren.
• “CRYSTAL23: A program for computational solid state physics and chemistry”, J. Chem. Theory Comput. (2022), A. Erba, J. K. Desmarais, S. Casassa, B. Civalleri, L. Donà, I. J. Bush, B. Searle, L. Maschio, L. Edith-Daga, A. Cossard, C. Ribaldone, E. Ascrizzi, N. L. Marana, J-P. Flament, and B. Kirtman
  
• “Incommensurate ordering in CrB2”, J. Phys.: Condens. Matter, 34, 475801 (2022), A. Deak, J. Jackson, B. Nyari, and L. Szunyogh
• “Noncollinear magnetism in two-dimensional CrTe2“, J. Phys.: Condens. Matter, 34, 454001 (2022) , N. Abuawwad, M. dos Santos Dias, H. Abusara, and S, Lounis 
• “Temperature-dependent micromagnetic model of the antiferromagnet ${\mathrm{Mn}}_2\mathrm{Au}$: A multiscale approach”, Phys. Rev. B 106, 094402 (2022), J. Hirst, U. Atxitia, S. Ruta, J. Jackson, L. Petit, and T. Ostler
• “Analytic expressions for Hubbard models with arbitrary structures in programmable optical lattices”, Phys. Rev. A 104, 053321 (2021) , J. P. Hague, L. Petit, and C. MacCormick
• “Electronic structure and finite temperature magnetism of yttrium iron garnet”, Electron. Struct., 2, 044002 (2020), J. Barker, D. Pashov, and J. Jackson
• “Experimental and theoretical study of the correlated compound YbCdSn: Evidence for large magnetoresistance and mass enhancement”, Phys. Rev. B, 102, 235135 (2020), Antu Laha, P. Rambabu, V. Kanchana, L. Petit, Z. Szotek, and Z. Hossain
• “Questaal: Electronic structure for the future”, Psi-k Highlight of the Month #148 (2020), D. Pashov, S. Acharya, J. Jackson, B. Cunningham, M. Grüning, M. van Schilfgaarde
• “First-order ferromagnetic transitions of lanthanide local moments in divalent compounds: An itinerant electron positive feedback mechanism and Fermi surface topological change”, Physical Review B 101, 174437 (2020), E. Mendive-Tapia, D. Paudyal , L. Petit, and J. B. Staunton
• “Spin waves in metallic iron and nickel measured by soft x-ray resonant inelastic scattering”, Physical Review B, 102, 064412 (2020), N. B. Brookes, D. Betto, K. Cao, Y. Lu, K. Kummer, and F. Giustino
• “Magnetic structure of selected Gd intermetallic alloys from first principles”, Phys. Rev. B 101, 014409, 2020, L. Petit, Z. Szotek, D. Paudyal, A. Biswas, Y. Mudryk, V. K. Pecharsky, and J. B. Staunton
  
• “Questaal: A package of electronic structure methods based on the linear muffin-tin orbital technique”, Comput. Phys. Comm. 249, 107065, (2020), D.Pashov, S. Acharya, W. R.L. Lambrecht, J. Jackson, K. D. Belashchenko, A. Chantis, F. Jamet and M. van Schilfgaarde
• “Magnetic excitations in non-collinear antiferromagnetic Weyl semimetal Mn₃Sn”, npj Quant. Mater. 3, 63 (2018), P. Park, J. Oh, K. Uhlířová, J. Jackson, A. Deák, L. Szunyogh, K. H. Lee, H. Cho, H. L. Kim, H. C. Walker, D. Adroja, V. Sechovský & J. -G Park
• “Calculating the Magnetic Anisotropy of Rare-Earth–Transition-Metal Ferrimagnets”, Phys. Rev. Lett. 120, 097202 (2018), C. E. Patrick, S. Kumar, G. Balakrishnan, R. S. Edwards, M. R. Lees, L. Petit, and J. B. Staunton.
• “Rare-earth/transition-metal magnetic interactions in pristine and (Ni,Fe)-doped YCo5 and GdCo5”, Phys. Rev. Mat. 1, 02411 (2017), C. E. Patrick,  S. Kumar,  G. Balakrishnan, R. S. Edwards, M. R. Lees, E. Mendive-Tapia, L. Petit, and J. B. Staunton.