Numerical Simulations of Critical Phenomena in the Solid State

• Applicant: Professor Dr. Stefano Leoni
• Subject Area: Theoretical Chemistry: Molecules, Materials, Surfaces ; Solid State and Surface Chemistry, Material Synthesis
• Term: from 2013 to 2014
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 239632516

• Final Report Year: 2015

Final Report Abstract

No abstract available

Publications

• Indium Imidazolate Frameworks with Differently Distorted ReO3-Type Structures: Syntheses, Structures, Phase Transitions, and Crystallization Studies. Crystal Growth & Design (2014), 14, 4664
  Schweinefuß, M.E., I. A. Baburin, I.A., Schroeder, C.A., Näther, C., Leoni, S., Wiebcke, M.
  (See online at https://doi.org/10.1021/cg5007499)
• Novel carbons: Habits and oddities. Zeitschrift für Anorganische und Allgemeine Chemie (2014), 640 (5), 681-688
  Boulfelfel, S.E., Selli, D., Leoni, S.
  (See online at https://doi.org/10.1002/zaac.201300652)
• The rules of metastability: detailed transformation mechanisms in chemical elements by means of molecular dynamics techniques. Chem. Modell. (2014), 11, 30-56
  Leoni, S., Boulfelfel, S.E., Baburin, I.A., Selli, D.
  (See online at https://dx.doi.org/10.1039/9781782620112-00030)
• Magnetoresistance in the Spin-Orbit Kondo State of Elemental Bismuth, Scientific Reports volume 5, Article number: 13772 (2015)
  Craco, L., Leoni, S.
  (See online at https://doi.org/10.1038/srep13772)
• Revealing the hidden correlated electronic structure of strained graphene. Phys. Rev. B 91, 205120 – Published 20 May 2015
  Craco, L., Selli, D., Seifert, G., Leoni, S.
  (See online at https://doi.org/10.1103/PhysRevB.91.205120)
• Hierarchical Thermoelectrics: Crystal Grain Boundaries as Scalable Phonon Scatterers. RSC Nanoscale, 2016, 8, 3729-3738
  Selli, D., Boulfelfel, S.E., Schapotschnikow, P., Donadio, D., Leoni, S.
  (See online at https://doi.org/10.1039/c5nr05279c)