Room-temperature ferroelectricity in diisopropylammonium bromide

Piecha, A.; Gągor, Anna; Jakubas, R.; Szklarz, Przemysław

doi:10.1039/c2ce26580j

Cited by 85 publications

(79 citation statements)

References 12 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…93,94 In this section, we study several DIPAB crystal phases. 94,95 Phase P2 1 2 1 2 1 transitions to P2 1 when heated, and phase P2 1 transitions to P2 1 /m when heated more. 94 Phase P2 1 is ferroelectric.…”

Section: Diisopropylammonium Bromide Ferroelectric Crystalmentioning

confidence: 99%

“…The crystal structures were obtained using X-ray diffraction: P2 1 (293 K), P2 1 2 1 2 1 (293 K), and P2 1 /m (438 K). 94,95 The P2 1 ferroelectric phase is stable at temperatures from 90 to 425 K. 95 A ferroelectric phase has a net dipole moment per unit cell. 94,95 Phase P2 1 2 1 2 1 transitions to P2 1 when heated, and phase P2 1 transitions to P2 1 /m when heated more.…”

Section: Diisopropylammonium Bromide Ferroelectric Crystalmentioning

confidence: 99%

See 1 more Smart Citation

Introducing DDEC6 atomic population analysis: part 2. Computed results for a wide range of periodic and nonperiodic materials

2016

View full text Add to dashboard Cite

Net atomic charges (NACs) are widely used throughout the chemical sciences to concisely summarize key information about charge transfer between atoms in materials. The vast majority of NAC definitions proposed to date are unsuitable for describing the wide range of material types encountered across the chemical sciences. In this article, we show the DDEC6 method reproduces important chemical, theoretical, and experimental properties across an extremely broad range of material types including small and large molecules, organometallics, nanoclusters, porous solids, nonporous solids, and solid surfaces. Some important comparisons we make are: (a) correlations between various NAC models and spectroscopically measured core-electron binding energy shifts for Ti-, Fe-, and Mo-containing solids, (b) comparisons between DDEC6 and experimentally extracted NACs for formamide and natrolite, (c) comparisons of accuracy of different NAC methods for reproducing the electrostatic potential surrounding a material across one and multiple system conformations, (d) comparisons between calculated and chemically expected electron transfer trends for atoms in numerous dense solids, solid surfaces, and molecules, (e) an assessment of NAC transferability between three crystal phases of the diisopropylammonium bromide organic ferroelectric, and (f) comparisons between DDEC6 and polarized neutron diffraction atomic spin moments for the Mn 12 -acetate single-molecule magnet. We find the DDEC6 NACs are ideally suited for constructing flexible force-fields and give reasonable agreement with force-fields commonly used to simulate biomolecules and water. We find the DDEC6 method is more accurate than the DDEC3 method for analyzing a broad range of materials. This broad applicability to periodic and non-periodic materials irrespective of the basis set type makes the DDEC6 method suited for use as a default atomic population analysis method in quantum chemistry programs. † Electronic supplementary information (ESI) available: Tables listing spectroscopically measured core electron energies and Bader, CM5, DDEC3, DDEC6, HD NACs for Ti-and Mo-containing solids; plot comparing DDEC6 to DDEC3 NACs for 14 systems comprised almost entirely of surface atoms; DDEC6 and DDEC3 NACs for Mo 2 C(110) surface with K adatom and NaF (001) surface; DDEC6 and DDEC3 NACs, atomic dipoles, and atomic quadrupoles for SrTiO 3 (100) surface and bulk crystal; DDEC6, DDEC3, Bader, and IH NACs for NaF and SrTiO 3 bulk crystals; xyz les (which can be read using any text editor or the free Jmol visualization program downloadable from jmol.sourceforge.net) containing geometries, NACs, atomic dipoles and quadrupoles, tted tail decay exponents, and ASMs. See

show abstract

Section: Diisopropylammonium Bromide Ferroelectric Crystalmentioning

confidence: 99%

Section: Diisopropylammonium Bromide Ferroelectric Crystalmentioning

confidence: 99%

Introducing DDEC6 atomic population analysis: part 2. Computed results for a wide range of periodic and nonperiodic materials

2016

View full text Add to dashboard Cite

show abstract

“…

high dielectric constant, small dielectric losses and a low coercivity fi eld. [ 20,21 ] Additional qualities of DIPAB are: facility of preparation, low cost, nontoxicity, and good thermal stability. DIPAB also shows a strong piezoelectric effect and has a welldefi ned ferroelectric domain structure.Numerous newly synthesized materials exhibit a symmetryinduced coupling of ferroelectricity to a macroscopic strain.

…”

mentioning

confidence: 99%

“…[1][2][3] The technological applicability of such materials has not as yet reached the level of inorganic system-like perovskite-based ceramics, e.g., PZT (lead zirconate titanate) [4][5][6][7][8] that owe their attractiveness to a combination of various useful physical properties such as luminescence, superconductivity, and stable ferroelectricity. The advantages of organic ferroelectrics are, however, incontestable so that the synthesis and growth of new such systems are a challenging research area.Recently synthesized environment-friendly and small-molecular-weight organic single-and two-components polar materials [9][10][11][12][13][14][15][16][17][18][19][20][21] turned out very promising. An excellent example of the single-component pure organic ferroelectric with a roomtemperature ferroelectricity is croconic acid whose polar properties have been studied by Horiuchi et al [ 11 ] The spontaneous polarization P s of about 21 µC cm −2 and the coercive fi eld of order of 14 kV cm −1 allows this material to successfully compete with the inorganic ferroelectric materials.…”

mentioning

confidence: 99%

Strong Improper Ferroelasticity and Weak Canted Ferroelectricity in a Martensitic‐Like Phase Transition of Diisobutylammonium Bromide

et al. 2015

Self Cite

View full text Add to dashboard Cite

show abstract

“…Molecular ferroelectrics, on the other hand, readily grow into large single crystals and afford greater synthetic flexibility than polymers, while avoiding many of the difficulties presented by oxides. For these and other reasons, there has been renewed interest in the development of new high-performance molecular ferroelectrics [12][13][14][31][32][33][34][35]. Some of the key properties of useful ferroelectrics are high spontaneous polarization, a transition temperature well above room temperature, and a low coercive field [7].…”

Section: Introductionmentioning

confidence: 99%

Fabrication of diisopropylammonium bromide aligned microcrystals with in-plane uniaxial polarization

Poddar¹,

Lu²,

Song³

et al. 2016

J. Phys. D: Appl. Phys.

View full text Add to dashboard Cite

Textured arrays of ferroelectric microcrystals of diisopropylammonium bromide were grown from solution at room temperature onto silicon substrates and studied by means of x-ray diffraction, atomic force microscopy, electron microscopy, and piezoresponse force microscopy. The needleshaped crystals had dimensions of approximately 50 μm × 5 μm in the plane and were approximately 200 nm thick, where the dimensions and arrangement were influenced by growth conditions. The observations suggest an Ostwald ripening mechanism of the microcrystal growth. The crystals had the structure of the ferroelectric phase, where the polarization axis was in-plane and parallel to the long axis of the crystals. The in-plane polarization could be switched at will with a scanning probe tip bias of 15 V and could be arranged in stable domain patterns with both charged and uncharged 180° domain walls.

show abstract

Room-temperature ferroelectricity in diisopropylammonium bromide

Cited by 85 publications

References 12 publications

Introducing DDEC6 atomic population analysis: part 2. Computed results for a wide range of periodic and nonperiodic materials

Introducing DDEC6 atomic population analysis: part 2. Computed results for a wide range of periodic and nonperiodic materials

Strong Improper Ferroelasticity and Weak Canted Ferroelectricity in a Martensitic‐Like Phase Transition of Diisobutylammonium Bromide

Fabrication of diisopropylammonium bromide aligned microcrystals with in-plane uniaxial polarization

Contact Info

Product

Resources

About