We offer Courses/Schools/Workshops Mailing List User Groups Projects Additional Software Publications Sponsors

Courses/Schools/Workshops for Mcphase Users:

McPhase MANA-Seminar at NIMS, Tsukuba, Japan, 13. Dec 2024 11:00

[RESCHEDULED]
McPhase 2025, McPhase MicroWorkshop in Venice, Italy, 26.-30. May 2025 Information and Registration

McPhase 2025, McPhase Online MicroWorkshop 21.-25. July 2025 Information and Registration

McPhase 2025, McPhase Online MicroWorkshop 6.-10. October 2025 Information and Registration

Workshop History

To organise a McPhase tutorial course, contact mcphase[at]icloud.com

We offer

* McPhase Courses and workshops

* McPhase Email Service - assistance in installing and running the program (institutions: 500€/year , individuals 100€/year)

* Collaboration in McPhase Simulations for specific Systems/Compounds

* Software Development for specific software, which will become public when sufficient funding has been reached

Contact: mcphase[at]icloud.com

Mailing List:

to subscribe to the McPhase mailing list, contact mcphase[at]icloud.com

McPhase Projects and Development Team

Martin Rotter, Scientific Consultant, McPhase Project

Duc Manh Le, ISIS Neutron and Muon Source, Rutherford Appleton Laboratory, UK

Joachim Keller, University of Regensburg, Germany

Till Hoffmann, Lucian Pascut, University of Oxford, Department of Physics Clarendon Laboratory, UK

R. Schedler, Helmholtz-Zentrum Berlin für Materialien und Energie, Berlin, Germany
M. Doerr, Institut für Festkörperphysik, Technische Universität Dresden, Germany

P. Fabi né Hoffmann, Forschungszentrum Jülich, Germany
S. Rotter, Wien, Austria

M. Banks, Max Planck Institute, Stuttgart, Germany

McPhase is sponsored by:

Center for Correlated Electron Systems, Institute for Basic Sciences, Korea (2013-2015)		Max Planck Institute for Chemical Physics of Solids, Dresden (2010-2015)
Institute for Solid State Physics Technical University Dresden (2004-2016)		Jülich Centre for Neutron Science JCNS Forschungszentrum Jülich GmbH Außenstelle am MLZ Garching (2015-2016)
Institute for Solid State Physics University of Tokyo (2015-2016)

Additional Software:

Linux: PerlDataLanguage: *pdl   PageplotGraphicsLibrary:   *pgplot5.2.2    PerlBindingforPgPlot: *pgplotperl2.18  
Windows:  PowderCell  GnuCompilers: mingw and msys

McPhase User Groups

• Austria, University of Vienna

• Austria, Technical University of Vienna 

• Belgium, Katolieke Universiteit Leuven

• Brazil, University of Rio de Janeiro

• Denmark, University of Copenhagen

• France, Institute Laue Langevin, Grenoble

• Germany, Forschungszentrum Jülich

• Germany, Helmholtz-Zentrum Berlin, BENSC

• Germany, University of Cologne

• Germany, Max Planck Institute for Solid State Research, Stuttgart

• Germany, Max Planck Institute for Chemical Physics of Solids, Dresden

• Germany, TU-Dresden

• Germany, Hochfeld-Magnetlabor Dresden

• Japan, National Institute for Materials Science, Tsukuba

• Japan, Institute for Solid State Physics, University of Tokyo

• UK, University of London

• UK, University of Oxford

• UK, Rutherford Lab, ISIS Spallation Source

Important Publications

• Dynamical Matrix Diagonalization for the Calculation of Dispersive Excitations M. Rotter, Manh Duc Le, A. T. Boothroyd and J. A. Blanco, J. Phys. Cond Mat.: 24 (2012) 213201

• Using McPhase to calculate Magnetic Phase Diagrams of Rare Earth Compounds M. Rotter, J. Magn. Mag. Mat. 272-276 (2004) 481-482

• Going beyond the dipole approximation to improve the refinement of magnetic structures by neutron diffraction M. Rotter and A. Boothroyd Phys. Rev. B 79 (2009) 140405R

• High Speed Algorithm for the calculation of Magnetic and Orbital Excitations in Rare Earth based Systems M. Rotter,  Computational Materials Science38 (2006) 400-404 pdf  http://www.sciencedirect.com/science/journal/09270256

• Magnetic double-q ordering of tetragonal GdNi₂B₂C, a way to explain the Magnetoelastic Paradox J. Jensen and M. Rotter, Phys. Rev. B 77 (2008) 134408

• Rare Earth Magnetism, J. Jensen and A. R. Mackintosh, Clarendon Press Oxford (1991)

• Ferrimagnetic structures with rare-earth induced spin-reorientation in the Mn self-doped perovskite (Er0.7Mn0.3)MnO3 Andreas Dönni, Vladimir Y. Pomjakushin, Martin Rotter, Lei Zhang, Kazunari Yamaura, Alexei A. Belik, Ceramics International 50 (2024) 43414-43423 https://doi.org/10.1016/j.ceramint.2024.08.191
• Magnetic structure of Tb3NbO7 determined using neutron diffraction experiments and magnetic anisotropy calculations Masashi Hase, Andreas Dönni, Vladimir Yu. Pomjakushin, Martin Rotter, J. Magn. Magn. Mater. 599 (2024) 172106 https://doi.org/10.1016/j.jmmm.2024.172106
• Role of crystal-field ground state in the classical spin-liquid behavior of the quasi-one-dimensional spin-chain system Sr3NiPtO6 V. K. Anand, D. T. Adroja, S. Rayaprol, A. D. Hillier, J. Sannigrahi, M. Rotter, M. D. Le and E. V. Sampathkumaran, PHYSICAL REVIEW B 108, 144426 (2023) https://doi.org/10.1103/PhysRevB.108.144426
• McPhase model calculations of the magnetic phase diagram of CeCu2Ge2 Prediction of a double q magnetic structure M. Rotter and M. Doerr, Computational Materials Science 142 (2018) 206-214 https://doi.org/10.1016/j.commatsci.2017.10.008
• Magnetic phase diagram of CeCu2Ge2 up to 15 T: On the route to understand field-induced phase transitions P. Geselbracht, A. Schneidewind, M. Doerr, S. Granovsky, M. Rotter, M. Loewenhaupt, G. W. Scheerer, Z. Ren and K. Prokes, Phys. Rev. B 95 (2017) 214425
• Magnetic properties of HoCoC2, HoNiC2 and their solid solutions H. Michor, S. Steiner, A. Schumer, M. Hembara, V. Levytskyy, V. Babizhetskyy, B. Kotur Journal of Magnetism and Magnetic Materials 441 (2017) 69-75 http://dx.doi.org/10.1016/j.jmmm.2017.05.038
• Two-site fluctuations and multipolar intersite exchange interactions in strongly correlated systems L. V. Pourovskii PRB 94, 115117 (2016) http://dx.doi.org/10.1103/PhysRevB.94.115117
• Low-energy Magnetic Excitations of CeCu2Ge2 Investigated by Inelastic Neutron Scattering P. Geselbracht, E. Faulhaber, M. Rotter, K. Schmalzl, D. Quintero-Castro, O. Stockert, M. Loewenhaupt, A. Schneidewind Physics Procedia, Volume 75, 2015, Pages 83-90
• Field Dependence of the Magnetic Propagation Vector of the Heavy Fermion Compound CeCu2Ge2 Studied by Neutron Diffraction M. Loewenhaupt, P. Geselbracht, E. Faulhaber, M. Rotter, M. Doerr, K. Schmalzl, A. Schneidewind Physics Procedia, Volume 75, 2015, Pages 230-237
• Investigation of Magnetic and Magnetoelastic Properties of the Unconventional Heavy-fermion Compound CeCu2Ge2 M. Doerr, S. Granovsky, M. Rotter, M. Loewenhaupt, A. Schneidewind, Z.-S. Wang Physics Procedia, Volume 75, 2015, Pages 572-579
• Magnetic Ordering and Crystal Field Effects in Quasi Caged Structure Compound PrFe2Al8 (2015) Harikrishnan S. Nair, Sarit K. Ghosh, Ramesh Kumar K and Andre M. Strydom, http://arxiv.org/abs/1507.01783
• Composite spin and quadrupole wave in the ordered phase of Tb2+xTi2-xO7+y (2015) H. Kadowaki, H. Takatsu, T. Taniguchi et al., http://arxiv.org/abs/1505.00503
• Hour-glass magnetic excitations induced by nanoscopic phase separation in cobalt oxides La2-xSrxCoO4 (2015) Y. Drees, Z. W. Li, A. Ricci et al., http://arxiv.org/abs/1507.01783
• Spin wave spectrum of the quantum ferromagnet on the pyrochlore lattice Lu2V2O7 (2014) M. Mena, R. S. Perry, T. G. Perring et al., http://arxiv.org/abs/1405.2284
• A Mean Field Model for the Quadrupolar Phases of UPd$_3$ (2014) Manh Duc Le, Keith A. McEwen, Martin Rotter et al., http://arxiv.org/abs/1403.4785
• Successive spin-flop transitions of Neel-type antiferromagnet Li2MnO3 single crystal with honeycomb-lattice (2014) K. Balamurugan, Sang-Hyun Lee, Jun-Sung Kim et al., http://arxiv.org/abs/1409.0975
• Hour-glass magnetic spectrum in a stripe-less insulating transition metal oxide (2013) Y. Drees, D. Lamago, A. Piovano and A. C. Komarek, http://arxiv.org/abs/1311.4757
• Inelastic neutron scattering study of crystal field excitations of Nd3+ in NdFeAsO (2013) Y. Xiao, M. Zbiri, R. A. Downie et al., http://arxiv.org/abs/1309.7323
• Magnetic ordering in GdNi2B2C revisited by resonant x-ray scattering: evidence for the double-q model (2013) P. S. Normile, M. Rotter, C. Detlefs et al., http://arxiv.org/abs/1306.5195
• Crystal field excitations of YbMn2Si2 R.A. Mole, M. Hofmann, D.T. Adroja, O. Moze, S.J. Campbell Journal of Magnetism and Magnetic Materials, Volume 347, December 2013, Pages 86-94
• Crystal-field ground state of the orthorhombic Kondo insulator CeRu2Al10 (2012)F. Strigari, T. Willers, Y. Muro et al., http://arxiv.org/abs/1208.2842
• Crystal fields in YbInNi₄ determined with magnetic form factor and inelastic neutron scattering A. Severing, F. Givord, J.-X. Boucherle, T. Willers, M. Rotter, Z. Fisk, A. Bianchi, M. T. Fernandez-Diaz, A. Stunault, B. D. Rainford, J. Taylor, and E. Goremychkin, Phys. Rev. B 83, 155112 (2011) http://arxiv.org/abs/1012.4937
• The magnetic structures of the anisotropic inter-metallic compounds Er2CoGa8 and Tm2CoGa8 (2011)R. D. Johnson, T. Frawley, P. Manuel et al., http://arxiv.org/abs/1106.4742
• Decorated Shastry-Sutherland lattice in the spin-1/2 magnet CdCu2(BO3)2 (2011) O. Janson, I. Rousochatzakis, A. A. Tsirlin et al., http://arxiv.org/abs/1112.5323
• Specific heat investigation on the magnetic phase diagrams of RNi₂B₂C (R=Gd,Er) M. el Massalami, M. Rotter, M. Doerr and H. Michor, J. Magn. Magn. Mat. 322 (2010) 523 http://arxiv.org/abs/0812.4722
• Magnetic Structure of GdCu₆ A. Devishvili, M. Rotter, M. Doerr, B. Beuneu, G. Behr, J. Phys.: Condens. Matter 21 (2009) 126002
• Magnetic anisotropy of the spin-antiferromagnet GdNi₂B₂C probed by high-frequency ESR V. Kataev, U. Schaufuss, F. Muranyi, A. Alfonsov, M. Doerr, M. Rotter, B. Buechner, J. Phys.: Conf. Ser. 150 (2009) 42086
• Crystalline electric field effects in PrNi2B2C: Inelastic neutron scattering Chandan Mazumdar, M. Rotter,M. Frontzek, H. Michor, M. Doerr, A. Kreyssig, M. Koza, A. Hiess, J. Voigt, G. Behr, L. C. Gupta, M. Prager, and M. Loewenhaupt Phys. Rev. B 78 (2008) 144422
• The commensurate phase of multiferroic HoMn2O5 studied by X-ray magnetic scattering G. Beutier,  A. Bombardi, C. Vecchini, P. G. Radaelli, S. Park, S-W. Cheong, and L. C. ChaponPhys. Rev. B 77 (2008) 172408
• Spin-flop transition in samarium metal investigated by capacitance dilatometry in a steady magnetic field of 45 T M. Rotter, A. Barcza, M. Doerr, M. D. Le, J. Brooks, E. Jobiliong, J. Perenboom Phys. Rev. B 76 (2007) 144421
• Singlet ground state probed by crystal field inelastic neutron spectroscopy on the antiferroquadrupolar system TmGa₃ , (2007)M. G. Banks, R. K. Kremer, G. Lapertot, D. Mannix, A. P. Murani http://arxiv.org/abs/0709.4115
• Hyperfine Interactions at lanthanide impurities in Fe D. Torumba, V. Vanhoof, M. Rots, S. Cottenier, Phys. Rev. B 74 (2006) 014409
• Untersuchungen von magnetischen Anregungen in CeCu₂ mit inelastischer Neutronenstreuung R. Schedler, PhD Thesis, 2006
• The magnetic properties of the multi-functional intermetallic compound Pr_1-x-yLa_xPb_yTe in high magnetic fields T Herrmannsdörfer, A D Bianchi, J Freudenberger, T P Papageorgiou, Y Skourski and J Wosnitza J. of Physics, Conf. Series 51  (2006) 67-70
• Magnetostriction in Rare Earth Antiferromagnets M. Doerr, M. Rotter, A. Lindbaum, Adv. Phys. 54 (2005) no.1, p.1-66
• Interpreting Magnetic X-ray Scattering on Gd-Compounds using the McPhase Simulation Program M. Rotter,  A. Schneidewind, M. Doerr, M. Loewenhaupt, A. M. El Massalami, C. Detlefs   Physica B 345 (2004) 231-234 pdf
• Diffraction experiments on GdCu₂In using hot neutrons M. Rotter, M. Loewenhaupt, A. Lindbaum, K. Ziebeck, B. Beuneu Physica B 350 (2004) E63-E66
• Field Dependence of Spin Waves in the Kondo Lattice CeCu₂ R. Schedler, M. Rotter, U. Witte, M. Loewenhaupt, Acta Physica Polonica B 34 (2003) 1313
• Dipole Interaction and Magnetic Anisotropy in Gadolinium Compounds M. Rotter,  M. Loewenhaupt, M. Doerr, A. Lindbaum, H. Sassik, K. Ziebeck, B. Beuneu
    Phys. Rev. B 68 (2003) 144418
• Magnetic Excitations in the antiferromagnetic phase of NdCu₂ M. Rotter, S. Kramp, M. Loewenhaupt, E. Gratz, W. Schmidt, N. M. Pyka, B. Hennion, R. v.d.Kamp
  Appl. Phys. A74 (2002) S751 pdf
• Modeling Magnetostriction in RCu₂ Compounds using McPhase M. Rotter, M. Doerr, M. Loewenhaupt, P. Svoboda  J. of Applied Physics 91 (2002) 8885 pdf