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Title: Non-linear and non-local behaviour in spontaneously electrical solids

Journal Article · · Physical Chemistry Chemical Physics. PCCP (Print)
DOI:https://doi.org/10.1039/c7cp08489g· OSTI ID:1492846

Using reflection–absorption infrared spectroscopy (RAIRS), we show that solids displaying spontaneous dipole orientation possess quite general non-local and non-linear characteristics, exemplified through their internal electric fields. The most graphic illustration of this, uncovered originally through electron beam studies, may be found in films of cis-methyl formate (cis-MF), for which data demonstrated the counter-intuitive property that the degree of dipole order in the film does not monotonically decrease as the temperature of deposition rises, but rather increases sharply above ~77 K. Here we show how RAIRS provides independent evidence to support this conclusion. These new data confirm (i) that the behaviour of spontelectrics is governed by an expression for the degree of dipole orientation, which is continuous in temperature, but with a discontinuity in the derivative, and (ii) that the temperature of deposition associated with this discontinuity matches the temperature above which dipole order switches from the expected reduction with temperature to an increase with temperature.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1492846
Journal Information:
Physical Chemistry Chemical Physics. PCCP (Print), Vol. 20, Issue 7; ISSN 1463-9076
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English

References (17)

Dipole-Oriented Molecular Solids Can Undergo a Phase Change and Still Maintain Electrical Polarization journal October 2016
Spontaneously electrical solids in a new light journal January 2015
Long-range interactions between polar molecules and metallic surfaces: A comparison of classical and density functional theory based models journal March 2009
Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions journal May 1992
Potential energy of a molecule adsorbed in synthetic zeolites. Application to the analysis of infrared spectra. 2. Potential energy of the nitrous oxide molecule adsorbed in the cavities of the zeolite NaA. Interpretation of the adsorbed nitrous oxide infrared spectra journal August 1976
Transverse optical to longitudinal optical splitting and dipole moment derivatives from infrared spectra of thin films of molecular solids journal April 1991
Spontaneous Dipole Alignment in Films of N 2 O journal February 2009
A review of recent progress in understanding the spontelectric state of matter journal June 2017
Corrected electrostatic model for dipoles adsorbed on a metal surface journal November 1994
Adsorption and Thermal Processing of Glycolaldehyde, Methyl Formate, and Acetic Acid on Graphite at 20 K journal June 2015
Wannier-Mott Excitons in Nanoscale Molecular Ices journal October 2017
Intermolecular Interactions between Molecules in Various Conformational States: The Dimer of Oxalic Acid journal June 2014
Coupled-cluster theory in quantum chemistry journal February 2007
Formation of methyl formate after cosmic ion irradiation of icy grain mantles journal September 2010
Spontaneous polarization of solid CO on water ices and some astrophysical implications journal January 2016
Spontaneous electric fields in films of cis-methyl formate journal January 2012
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen journal January 1989

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