Chemistry, structure, and function of lone pairs in extended solids

G Laurita, R Seshadri - Accounts of Chemical Research, 2022 - ACS Publications
Conspectus The lone pair has been a known feature of the electronic structure of molecules
for over 100 years. Beginning with the pioneering work of Lewis and others that was later …

Current Understanding of Structure–Processing–Property Relationships in BaTiO3–Bi(M)O3 Dielectrics

MA Beuerlein, N Kumar, TM Usher… - Journal of the …, 2016 - Wiley Online Library
As part of a continued push for high permittivity dielectrics suitable for use at elevated
operating temperatures and/or large electric fields, modifications of BaTiO3 with Bi (M) O3 …

Bi2Ti2O7: It Is Not What You Have Read

JR Esquivel-Elizondo, BB Hinojosa… - Chemistry of …, 2011 - ACS Publications
Coprecipitation synthesis methods followed by microwave sintering techniques were utilized
to obtain dense phase pure Bi2Ti2O7 polycrystalline ceramic pellets. No evidence of …

Local atomic structure deviation from average structure of NaBiTiO: Combined x-ray and neutron total scattering study

E Aksel, JS Forrester, JC Nino, K Page… - Physical Review B …, 2013 - APS
The crystal structure of sodium bismuth titanate (NBT) and related compounds is of great
interest, as these may form part of a new generation of ferroelectric materials used in a …

Applications of pair distribution function methods to contemporary problems in materials chemistry

CA Young, AL Goodwin - Journal of Materials Chemistry, 2011 - pubs.rsc.org
Over the past five years, the use of pair distribution function (PDF) methods to study local
structure has become increasingly prominent in the mainstream materials chemistry …

Understanding the re-entrant phase transition in a non-magnetic scheelite

M Saura-Múzquiz, FP Marlton, BG Mullens… - Journal of the …, 2022 - ACS Publications
The stereochemical activity of lone pair electrons plays a central role in determining the
structural and electronic properties of both chemically simple materials such as H2O, as well …

Universal geometric frustration in pyrochlores

BA Trump, SM Koohpayeh, KJT Livi, JJ Wen… - Nature …, 2018 - nature.com
Materials with the pyrochlore/fluorite structure have diverse technological applications, from
magnetism to nuclear waste disposal. Here we report the observation of structural instability …

Design of crystal-like aperiodic solids with selective disorder–phonon coupling

AR Overy, AB Cairns, MJ Cliffe, A Simonov… - Nature …, 2016 - nature.com
Functional materials design normally focuses on structurally ordered systems because
disorder is considered detrimental to many functional properties. Here we challenge this …

Synthesis, floating zone crystal growth and characterization of the quantum spin ice Pr2Zr2O7 pyrochlore

SM Koohpayeh, JJ Wen, BA Trump, CL Broholm… - Journal of Crystal …, 2014 - Elsevier
Abstract Pyrochlore Pr 3+ 2+ x Zr 4+ 2− x O 7− x/2 samples in the form of both powders (−
0.02≤ x≤ 0.02) and bulk single crystals have been studied to elucidate the dependence of …

[HTML][HTML] Local and average structures of BaTiO3-Bi (Zn1/2Ti1/2) O3

TM Usher, T Iamsasri, JS Forrester… - Journal of Applied …, 2016 - pubs.aip.org
The complex crystallographic structures of (1− x) BaTiO 3-xBi (Zn 1/2 Ti 1/2) O 3 (BT-xBZT)
are examined using high resolution synchrotron X-ray diffraction, neutron diffraction, and …