271 citations · 1.1k across the 11 of their papers we have counts for
11 papers
Giant Surface Charge Density of Graphene Resolved From Scanning Tunneling Microscopy and First-Principles Theory
P. Xu, Y. Yang, S. D. Barber +6
In this work, systematic constant-bias, variable-current scanning tunneling microscopy (STM) measurements and STM simulations from density-functional theory are made, yielding crit…
Atomic Control of Strain in Freestanding Graphene
P. Xu, Y. Yang, S. D. Barber +8
In this study, we describe a new experimental approach based on constant-current scanning tunneling spectroscopy to controllably and reversibly pull freestanding graphene membranes…
Coexistence of Ferroelectric Triclinic Phases and Origin of Large Piezoelectric Responses in Highly Strained BiFeO3 films
Zuhuang Chen, S. Prosandeev, Z. L. Luo +12
The structural evolution of the strain-driven morphotropic phase boundary (MPB) in BiFeO3 films has been investigated using synchrotron x-ray diffractometry in conjunction with sca…
Domain evolution of BaTiO3 ultrathin films under electric field: a first-principles study
Bo-Kuai Lai, Inna Ponomareva, Igor A. Kornev +2
A first-principles-derived method is used to study the morphology and electric-field-induced evolution of stripe nanodomains in (001) BaTiO3 (BTO) ultrathin films, and to compare t…
Phase diagram of Pb(Zr,Ti)O3 solid solutions from first principles
Igor A. Kornev, L. Bellaiche, P. -E. Janolin +2
A first-principles-derived scheme, that incorporates ferroelectric and antiferrodistortive degrees of freedom, is developed to study finite-temperature properties of PbZr1-xTixO3 s…
The nature of ferroelectricity under pressure
Igor A. Kornev, L. Bellaiche
Advances in first-principles computational approaches have, over the past fifteen years, made possible the investigation of physical properties of ferroelectric systems. In particu…