Effects of Strong Correlations in the Lattice Dynamics of Iron-based Superconductors
ORAL
Abstract
Strong electron-electron interaction leads to a plethora of complex physical mechanisms in many materials which includes, magnetism, spin fluctuation and high Tc superconductivity. A Combination of Density Functional Theory (DFT) and Embedded Dynamical Mean-Field Theory (EDMFT) has been extremely successful for electronic structure calculations of these strongly correlated systems. We use this method on 11-type and 111-type family of iron-based superconductors (FeSC) to show that correlations play an important role to determine the vibrational properties of real systems. In this work, we present an very good agreement with the experiment to calculated values of internal parameters, phonon density of states and the phonon frequencies at high symmetry points.
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Presenters
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Ghanashyam Khanal
Rutgers University, New Brunswick
Authors
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Ghanashyam Khanal
Rutgers University, New Brunswick
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Kristjan Haule
Department of Physics & Astronomy, Rutgers University, Dept. of Physics and Astronomy, Rutgers University, New Brunswick, Rutgers University, New Brunswick, Rutgers Univeristy, Department of Physics and Astronomy, Rutgers University, Piscataway, NJ, United States, Department of Physics and Astronomy, Rutgers University, Rutgers University, Physics, Rutgers University, Physics & Astronomy, Rutgers University, New Brunswick, NJ, USA 08854