5 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…
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…
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…