3 papers
cond-mat.mtrl-sci2026
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…
cond-mat.mtrl-sci2025
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…
cond-mat.mtrl-sci2024
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…