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4 papers · 1 filter
What about U on Surfaces? - Extended Hubbard Models for Adatom Systems from First Principles
Philipp Hansmann, Loig Vaugier, Hong Jiang +1
Electronic correlations together with dimensional constraints lead to some of the most fascinating properties known in condensed matter physics. As possible candidates where these…
Superconductivity in LiFeO2Fe2Se2 with anti-PbO-type Spacer Layers
X. F. Lu, N. Z. Wang, G. H. Zhang +5
Superconductivity has been found in the iron-arsenides with different structures by alternative stacking of the conducting Fe2As2 layers and spacer layers including alkali- or alka…
Hierarchy of Graphene Wrinkles Induced by Thermal Strain Engineering
Lan Meng, Ying Su, Dechao Geng +5
Graphene is only one atom thick and becomes the ultimate thin film to explore membrane physics and mechanics. Here we study hierarchy of graphene wrinkles induced by thermal strain…
Facile implementation of integrated tempering sampling method to enhance the sampling over a broad range of temperatures
Peng Zhao, Li Jiang Yang, Yi Qin Gao +1
Integrated tempering sampling (ITS) method is an approach to enhance the sampling over a broad range of energies and temperatures in computer simulations. In this paper, a new vers…