78 citations · 124 across the 5 of their papers we have counts for
5 papers
Microstructural analysis and optical properties of Cs2BiAgBr6 halide double perovskite single crystals
O. A. Lozhkina, A. A. Murashkina, M. S. Elizarov +6
Single crystals of Cs2BiAgBr6 lead-free perovskite were grown by crystallization from supersaturated solution. According to characterization by XRD and EBSD methods the double pero…
Low inhomogeneous broadening of excitonic resonance in MAPbBr3 single crystals
O. A. Lozhkina, V. I. Yudin, A. A. Murashkina +6
We present optical study of MAPbBr3 single crystals grown from solution by inverse temperature crystallization method. Photoluminescence temperature dependence of narrow and isolat…
FDE-vdW: A van der Waals Inclusive Subsystem Density-Functional Theory
Ruslan Kevorkyants, Henk Eshuis, Michele Pavanello
We present a formally exact van der Waals inclusive electronic structure theory, called FDE-vdW, based on the Frozen Density Embedding formulation of subsystem Density-Functional T…
Calculating Hyperfine Couplings in Large Ionic Crystals Containing Hundreds of QM Atoms: Subsystem DFT is the Key
Ruslan Kevorkyants, Xiqiao Wang, David M. Close +1
We present an application of the linear scaling Frozen Density Embedding (FDE) formulation of subsystem DFT to the calculation of isotropic hyperfine coupling constants (hfccs) of…
Evidence of Dirac insulator properties in poly 1,5-dihydro-1,5-diazocine diazene
R. Kevorkyants, V. Ligatchev, P. Wu
Existence of heteroaromatic graphene analog is predicted based upon periodic first principles density functional theory calculations. The new material, poly 1,5-dihydro 1,5-diazoci…