Imperial College London

Peter Haynes

Faculty of EngineeringDepartment of Materials

Head of Department of Materials



+44 (0)20 7594 5158p.haynes Website CV




Miss Catherine Graham +44 (0)20 7594 3330




201BRoyal School of MinesSouth Kensington Campus






BibTex format

author = {Warwick, AR and Iniguez, J and Haynes, PD and Bristowe, NC},
doi = {10.1021/acs.jpclett.9b00202},
journal = {Journal of Physical Chemistry Letters},
pages = {1416--1421},
title = {First-principles study of ferroelastic twins in halide perovskites},
url = {},
volume = {10},
year = {2019}

RIS format (EndNote, RefMan)

AB - We present an ab initio simulation of 90° ferroelastic twins that were recently observed in methylammonium lead iodide. There are two inequivalent types of 90° walls that we calculate to act as either electron or hole sinks, which leads us to propose a mechanism for enhancing charge carrier separation in photovoltaic devices. Despite separating nonpolar domains, we show these walls to have a substantial in-plane polarization of ∼6 μCcm–2, due in part to flexoelectricity. We suggest this in turn could allow for the photoferroic effect and create efficient pathways for photocurrents within the wall.
AU - Warwick,AR
AU - Iniguez,J
AU - Haynes,PD
AU - Bristowe,NC
DO - 10.1021/acs.jpclett.9b00202
EP - 1421
PY - 2019///
SN - 1948-7185
SP - 1416
TI - First-principles study of ferroelastic twins in halide perovskites
T2 - Journal of Physical Chemistry Letters
UR -
UR -
UR -
VL - 10
ER -