90 citations · 275 across the 12 of their papers we have counts for
10 papers · 1 filter
A new class of intrinsic magnet: two-dimensional yttrium sulphur selenide
Pankaj Kumar, Ivan I. Naumov, Priyanka Manchanda +1
Exploring and controlling magnetism in two-dimensional (2D) layered magnetic crystals, as well as their inclusion in heterogeneous assemblies, provide an unprecedented opportunity…
Quantum materials interfaces: graphene/Bismuth (111) heterostructures
Ivan I. Naumov, Pratibha Dev
Heterostructures involving graphene and bismuth, with their ability to absorb light over a very wide energy range, are of interest for engineering next-generation opto-electronics.…
Topological surface states in dense solid hydrogen
Ivan I. Naumov, Russell J. Hemley
It has recently been established that two-dimensional massless graphene-like systems and three-dimensional line-node topological semimetals comprise a special class of centrosymmet…
Effects of Manganese Addition on the Electronic Structure of BaTiO
J. F. Nossa, Ivan I. Naumov, R. E. Cohen
Mn is used as a dopant to improve the electromechanical properties of perovskite oxides. We elucidate the role of Mn defects and associated vacancies on the electronic, atomic and…
Graphene physics and insulator-metal transition in compressed hydrogen
Ivan I. Naumov, R. E. Cohen, Russell J. Hemley
Compressed hydrogen passes through a series of layered structures in which the layers can be viewed as distorted graphene sheets. The electronic structures of these layered structu…
Giant flexoelectric effect in two-dimensional boron-nitride sheets
Ivan Naumov, Alexander M. Bratkovsky, V. Ranjan
We find, with the use of first-principles calculations, that a single-atom-thick boron-nitride (BN) sheet exhibits an unusual nonlinear electromechanical effect: it becomes macrosc…
Cooperative response of Pb(ZrTi)O nanoparticles to curled electric fields
Ivan I. Naumov, Huaxiang Fu
Using first-principles based effective Hamiltonian and finite temperature Monte Carlo simulations we investigate cooperative responses, as well as microscopic mechanism for vortex…
Unusual polarization patterns in flat epitaxial ferroelectric nanoparticles
Ivan I. Naumov, Alexander M. Bratkovsky
Interest in epitaxial ferroelectric nanoislands was growing rapidly in recent years driven by their potential for devices, especially ultradense memories. Recent advances in the "b…
Vortex-to-Polarization Phase Transformation Path in Pb(ZrTi)O Nanoparticles
Ivan Naumov, Huaxiang Fu
Phase transformation in finite-size ferroelectrics is of fundamental relevance for understanding collective behaviors and balance of competing interactions in low-dimensional syste…
Phonon in SrTiO under finite electric fields
Ivan I. Naumov, Huaxiang Fu
We propose an efficient approach within the density-functional theory to determine the phonon structure of infinite solids under finite electric fields. We apply this approach to t…