3 papers
cond-mat.str-el2019
Evidence for orbital ordering in BaNaOsO, a Mott insulator with strong spin orbit coupling, from First Principles
R. Cong, Ravindra Nanguneri, Brenda Rubenstein +1
We present first principles calculations of the magnetic and orbital properties of BaNaOsO (BNOO), a 5 Mott insulator with strong spin orbit coupling (SOC) in its low…
cond-mat.str-el2019
First Principles calculations of the EFG tensors of BaNaOsO, a Mott insulator with strong spin orbit coupling
Rong Cong, Ravindra Nanguneri, Brenda M. Rubenstein +1
We present first principles calculations of the electrostatic properties of BaNaOsO (BNOO), a 5 Mott insulator with strong spin orbit coupling (SOC) in its low tempera…
cond-mat.str-el2019
DFT+DMFT study of spin-charge-lattice coupling in covalent LaCoO
Hyowon Park, Ravindra Nanguneri, Anh T. Ngo
We study energetics and the nature of both homogeneous and mixed spin (MS) states in LaCoO incorporating structural changes of the crystal volume expansion and the Co-O bond di…