80 citations · 152 across the 16 of their papers we have counts for
16 papers
Negative and Zero Linear Compressibility in MCN (M = Ag, Au, Cu): A First-Principles Study
Arlies Valdespino, Abduljelili Popoola, Sergey Lisenkov +1
Negative linear compressibility (NLC) is the counterintuitive phenomenon in which a crystallographic axis expands under hydrostatic pressure. A related phenomenon, zero linear comp…
Relaxation approach to quantum-mechanical modeling of ferroelectric and antiferroelectric phase transitions
Nikhilesh Maity, Sergey Lisenkov, Arlies Valdespino +5
Ferroelectrics and antiferroelectrics are the electric counterparts of ferromagnets and antiferromagnets. These materials undergo temperature- and electric-fieldinduced phase trans…
DFT-based insight into finite-temperature properties of ferroelectric perovskites with lone-pair: the case of CsGeX (X=Cl, Br, I)
Ravi Kashikar, S. Lisenkov, I. Ponomareva
Ferroelectrics remain in the focus of scientific attention for decades owing to their fundamental and practical appeal. Recently, ferroelectricity has been demonstrated in semicond…
Large electrically and chemically tunable Rashba-Dresselhaus effects in Ferroelectric CsGeX (X=Cl, Br, I) perovskites
Abduljelili Popoola, Nikhilesh Maity, Ravi Kashikar +2
Rashba-Dresselhaus effects, which originate from spin-orbit coupling and allow for spin manipulations, are actively explored in materials following the pursuit of spintronics and q…
Theory of ultrathin ferroelectrics: the case of CsGeBr
Ravi Kashikar, Arlies Valdespino, Charlton Ogg +3
Ferroelectricity has recently been demonstrated in germanium-based inorganic halide perovskites. We use atomistic first-principles-based simulations to study ultra-thin CsGeBr…
Ferroelectric phases and phase transitions in CsGeBr induced by mechanical load
Joshua Townsend, Ravi Kashikar, S. Lisenkov +1
First-principles-based atomistic simulations are used to reveal ferroelectric phases and phase transitions induced in a semiconductor ferroelectric, CsGeBr, by external loads:…
Giant Spin Splitting and its Origin in Methylhydrazinium Lead Halide Perovskites
Nikhilesh Maity, Ravi Kashikar, S. Lisenkov +1
Spin splitting, or removal of spin degeneracy in the electronic energy band/level is often a measure of spin-orbit coupling strength and a way to manipulate spin degrees of freedom…
Ferroelectricity at the extreme thickness limit in the archetypal antiferroelectric PbZrO
Nikhilesh Maity, Milan Haddad, Nazanin Bassiri-Gharb +4
Size-driven transition of an antiferroelectric into a polar ferroelectric or ferrielectric state is a strongly debated issue from both experimental and theoretical perspectives. Wh…
Coupling of structure and magnetism to spin splitting in hybrid organic-inorganic perovskites
Ravi Kashikar, D. DeTellem, P. S. Ghosh +6
Hybrid organic-inorganic perovskites are famous for the diversity of their chemical compositions, phases and phase transitions, and associated physical properties. We use a combina…
Coexistence of polar and antipolar phases in ferroelectric halide perovskite CsGeBr
Ravi Kashikar, S. Lisenkov, I. Ponomareva
Recently ferroelectricity has been demonstrated in the family of halide perovskites: CsGeX (X=Cl, Br, I). We develop a first-principles-based computational approach to probe fi…
First-Principles Property Assessment of Hybrid Formate Perovskites
Abduljelili Popoola, Partha Sarathi Ghosh, Maggie Kingsland +7
Hybrid organic inorganic formate perovskites, AB(HCOO), is a large family of compounds which exhibit variety of phase transitions and diverse properties. Some examples include…
Machine learning reveals memory of the parent phases in ferroelectric relaxors Ba(Ti,Zr)O
Adriana Ladera, Ravi Kashikar, S. Lisenkov +1
Machine learning has been establishing its potential in multiple areas of condensed matter physics and materials science. Here we develop and use an unsupervised machine learning w…
Persistent spin textures in halide perovskites induced by uniaxial stress
Ravi Kashikar, Abduljelili Popoola, Sergey Lisenkov +2
Persistent spin textures are highly desirable for applications in spintronics as they may allow for long carrier spin lifetimes. However, they are also rare as only four point grou…
Emergence of central mode in the paraelectric phase of ferroelectric perovskites
J. Weerasinghe, L. Bellaiche, T. Ostapchuk +5
THz-range dielectric spectroscopy and first-principle-based effective-Hamiltonian molecular dynamics simulations were employed to elucidate the dielectric response in the paraelect…
Thickness-dependent polarization of strained BiFeO3 films with constant tetragonality
J. E. Rault, W. Ren, S. Prosandeev +7
We measure the remnant polarization of ferroelectric domains in BiFeO3 films down to 3.6 nm using low energy electron and photoelectron emission microscopy. The measured polarizati…
Geometric frustration in compositionally modulated ferroelectrics
Narayani Choudhury, Laura Walizer, Sergey Lisenkov +1
Geometric frustration is a broad phenomenon that results from an intrinsic incompatibility between some fundamental interactions and the underlying lattice geometry1-7. Geometric f…