46 citations · 155 across the 9 of their papers we have counts for
9 papers
A Combined First Principles Study of the Structural, Magnetic, and Phonon Properties of Monolayer CrI
Daniel Staros, Guoxiang Hu, Juha Tiihonen +6
The first magnetic 2D material discovered, monolayer (ML) CrI, is particularly fascinating due to its ground state ferromagnetism. Yet, because monolayer materials are difficul…
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…
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…
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…
Relaxation Between Bright Optical Wannier Excitons in Perovskite Solar Absorber CHNHPbI
Ravindra Nanguneri, John Parkhill
We study the light-absorbing states of the mixed-halide perovskite CHNHPbICl and tri-iodide perovskite CHNHPbI with density functional and many-body…
How Electronic Dynamics with Pauli Exclusion Produces Fermi-Dirac Statistics
Triet Nguyen, Ravindra Nanguneri, John Parkhill
It is important that any dynamics method approaches the correct population distribution at long times. In this paper, we derive a one-body reduced density matrix dynamics for elect…
Anisotropic Multipolar Exchange Interactions in Systems with Strong Spin-Orbit Coupling
Shu-Ting Pi, Ravindra Nanguneri, Sergey Savrasov
We introduce a theoretical framework for computaions of anisotropic multipolar exchange interactions found in many spin--orbit coupled magnetic systems and propose a method to extr…
Interplay of Superconductivity and Spin-Dependent Disorder
Ravindra Nanguneri, Mi Jiang, Tyler Cary +2
The finite temperature phase diagram for the 2D attractive fermion Hubbard model with spin-dependent disorder is considered within Bogoliubov-de Gennes mean field theory. Three typ…
Calculation of Multipolar Exchange Interactions in Spin-Orbital Coupled Systems
Shu-Ting Pi, Ravindra Nanguneri, Sergey Savrasov
A new method of computing multipolar exchange interaction in spin-orbit coupled systems is developed using multipolar tensor expansion of the density matrix in LDA+U electronic str…