First-principles property assessment of hybrid formate perovskites

A Popoola, PS Ghosh, M Kingsland… - The Journal of …, 2023 - pubs.aip.org
Hybrid organic–inorganic formate perovskites, AB (HCOO) 3, are a large family of
compounds that exhibit a variety of phase transitions and diverse properties, such as (anti) …

Coupling of the Structure and Magnetism to Spin Splitting in Hybrid Organic–Inorganic Perovskites

R Kashikar, D DeTellem, PS Ghosh, Y Xu… - Journal of the …, 2024 - ACS Publications
Hybrid organic–inorganic perovskites are famous for the diversity of their chemical
compositions, phases, phase transitions, and associated physical properties. We use a …

Rashba effects in lead-free ferroelectric semiconductor

R Kashikar, PS Ghosh, S Lisenkov, A Stroppa… - Physical Review …, 2022 - APS
First-principles density functional theory computations are used to predict Rashba effects
cofunctional with ferroelectricity in a recently synthesized lead-free hybrid organic-inorganic …

Large Electrically and Chemically Tunable Rashba–Dresselhaus Effects in Ferroelectric CsGeX3 (X = Cl, Br, I) Perovskites

A Popoola, N Maity, R Kashikar… - The Journal of …, 2024 - ACS Publications
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 …

Giant spin splitting and its origin in methylhydrazinium lead halide perovskites

N Maity, R Kashikar, S Lisenkov, I Ponomareva - Physical Review Materials, 2024 - APS
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 …

Tunability of Structure, Polarization, and Band Gap of High TC Organic–Inorganic Ferroelectrics by Hydrostatic Pressure: First-Principles Study

PS Ghosh, J Doherty, S Lisenkov… - The Journal of Physical …, 2021 - ACS Publications
The effect of hydrostatic pressure in the range of 0–10 GPa on the structural, electric, and
electronic properties of hybrid organic–inorganic ferroelectric perovskites TMCM–MnCl3 …

Unusual properties of hydrogen-bonded ferroelectrics: The case of cobalt formate

PS Ghosh, D DeTellem, J Ren, S Witanachchi, S Ma… - Physical Review Letters, 2022 - APS
Hybrid organic-inorganic perovskites is a class of materials with diverse chemically tunable
properties and outstanding potential for multifunctionality. We use first-principles simulations …

Chemically and electrically tunable spin polarization in ferroelectric Cd-based hybrid organic-inorganic perovskites

R Kashikar, PS Ghosh, S Lisenkov, BRK Nanda… - Physical Review B, 2021 - APS
Density functional theory computations are used to predict the electronic structure of Cd-
based hybrid organic-inorganic high-TC ferroelectric perovskites with TMCM-CdCl 3 being …

Unveiling Ferroelectric and Multifunctional Insights in Hybrid Formate Perovskites

A Popoola - 2023 - search.proquest.com
Formate perovskites, denoted as AB (HCOO) 3, represent a diverse group of hybrid organic-
inorganic compounds, renowned for their numerous phase transitions and a wide array of …

First-principles-based Modeling of Energy Converting Properties of Conventional and Emerging Ferroelectrics

M Kingsland - 2022 - search.proquest.com
Ferroelectric materials are a type of multifunctional material that exhibit spontaneous
polarization reversable by the application of an electric field. They are used in many …