Publication Date:
2013-04-04
Description:
Author(s): S. Lebernegg, M. Schmitt, A. A. Tsirlin, O. Janson, and H. Rosner Periodic and cluster density functional theory (DFT) calculations, including DFT+ U and hybrid functionals, are applied to study magnetostructural correlations in spin-1/2 frustrated chain compounds Cu X 2 : CuCl 2 , CuBr 2 , and a fictitious chain structure of CuF 2 . The nearest-neighbor and second-neighbor... [Phys. Rev. B 87, 155111] Published Wed Apr 03, 2013
Keywords:
Electronic structure and strongly correlated systems
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics