A large linear electro-optic effect in a polar organic crystal 2-methyl-4-nitroaniline

Lipscomb, G. F.; Garito, A. F.; Narang, R. S.

doi:10.1063/1.92497

Cited by 40 publications

(6 citation statements)

References 6 publications

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“…It should be noted that different studies ,,,, have used different directions for MNA molecule, but all of them agree that d 33 = (1/2)χ zzz (when the long molecular axis tends to be along the z -axis) is the dominant component. As pointed out by Levin et al, d 33 is phase matchable using the usual index birefringence and has the enormous figure of merit of 2000 times larger than LiNbO 3 .…”

Section: Resultsmentioning

confidence: 91%

“…Contrary to 2-amino-4-nitroaniline (for brevity, we name it ANA), the 2-methyl-4-nitroaniline (MNA) crystal has attracted much attention in different studies. The linear and nonlinear optical properties of MNA have already been the topic of several experimental − and theoretical − studies. The FT-IR spectra of crystalline MNA deposited on a poly substrate were studied by Vallee and co-workers. , Nogueira et al reported the longitudinal optical (LO) and transversal optical (TO) wavenumbers of polar vibrations found in the unpolarized FT-IR reflectivity spectra of MNA crystals.…”

Section: Introductionmentioning

confidence: 99%

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A DFT Study of Linear and Nonlinear Optical Properties of 2-Methyl-4-nitroaniline and 2-Amino-4-nitroaniline Crystals

Dadsetani

Omidi

2015

J. Phys. Chem. C

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The electronic structure, linear and nonlinear optical susceptibilities of 2-methyl-4-nitroaniline (MNA) and 2-amino-4-nitroaniline (ANA) crystals have been studied using the full potential linear augmented plane wave method within density-functional theory. In addition, we have investigated the excitonic effects by means of the bootstrap exchange-correlation kernel within time dependent density functional theory. Our calculations show indirect band gaps for MNA and ANA crystals.Both crystals have band structures with low dispersion which is a characteristic behavior of organic crystals. The crystalline ANA shows larger band dispersion, compared to MNA, due to the higher intermolecular interactions. Findings show that the substituent groups play major roles in enhancing the optical response of push-pull organic crystals. On the other hand, the intermolecular interactions make the band dispersion increase and the optical response, especially the nonlinear one, decrease.The MNA crystal shows larger values of nonlinear response, since all the constitutive molecules are mainly polarized along the same axis and there is less overlap between them. Moreover, the considerable below-band-gap anisotropy as well as the high values of nonlinear susceptibilities make these crystals suitable candidates for nonlinear purposes. In addition to the high potential of excitonic effects, both crystals have extremely small wavelengths of Plasmon peaks. Finally, this study gives reliable results for the optical spectra in both linear and nonlinear regimes.

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Section: Resultsmentioning

confidence: 91%

Section: Introductionmentioning

confidence: 99%

A DFT Study of Linear and Nonlinear Optical Properties of 2-Methyl-4-nitroaniline and 2-Amino-4-nitroaniline Crystals

Dadsetani

Omidi

2015

J. Phys. Chem. C

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“…Typically for polymers, is about three times larger than . At the current time, for most of the reported modulators, values range between 1-20 pm/V, although values as high as 67 pm/V have been reported [89]. The index change for an applied electric field is given by (10).…”

Section: ) Polymer Traveling-wave Modulatorsmentioning

confidence: 95%

Wide-bandwidth lasers and modulators for RF photonics

Dagli

1999

IEEE Trans. Microwave Theory Techn.

147

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“…Organic molecular crystals are attractive candidates for such materials, as well-established methods of synthetic chemistry enable almost continuous modification of NLO properties. Certain classes of organic materials, especially those with highly delocalized π electrons and additional donor/acceptor groups at opposite ends of the molecule, exhibit extremely large NLO effects, and many organic NLO crystals exhibit high optical damage thresholds, making them attractive in high-power applications. − Properties of 2-methyl-4-nitroaniline (MNA), especially in the solid state, have been the focus of a large number of investigations since the late 1970s, when it was discovered that crystals of this compound exhibited an exceptionally large second-order optical nonlinearity and linear electrooptic effect, − and interest in MNA and related molecules has remained strong because their unique properties promise potentially important applications.…”

Section: Introductionmentioning

confidence: 99%

Reassessment of Large Dipole Moment Enhancements in Crystals: A Detailed Experimental and Theoretical Charge Density Analysis of 2-Methyl-4-nitroaniline

et al. 2006

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The molecular dipole moment of MNA in the crystal has been critically reexamined, to test the conclusion from an earlier experimental charge density analysis that it was substantially enhanced due to a combination of strong intermolecular interactions and crystal field effects. X-ray and neutron diffraction data have been carefully measured at 100 K and supplemented with ab initio crystal Hartree-Fock calculations. Considerable care taken in the measurement and reduction of the experimental data excluded most systematic errors, and sources of error and their effects on the experimental electron density have been carefully investigated. The electron density derived from a fit to theoretical structure factors assisted in the determination of the scale and thermal motion model. The dipole moment enhancement for MNA in the crystal is much less than that reported previously and only on the order of 30-40% (approximately 2.5 D). In addition to the dipole moment, experimental deformation electron density maps, bond critical point data, electric field gradients at hydrogen nuclei, and atomic and group charges all agree well with theoretical results and trends. Anisotropic modeling of the motion of hydrogen atoms, integral use of periodic ab initio calculations, and improved data quality are all aspects of this study that represent a considerable advance over previous work.

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A large linear electro-optic effect in a polar organic crystal 2-methyl-4-nitroaniline

Cited by 40 publications

References 6 publications

A DFT Study of Linear and Nonlinear Optical Properties of 2-Methyl-4-nitroaniline and 2-Amino-4-nitroaniline Crystals

A DFT Study of Linear and Nonlinear Optical Properties of 2-Methyl-4-nitroaniline and 2-Amino-4-nitroaniline Crystals

Wide-bandwidth lasers and modulators for RF photonics

Reassessment of Large Dipole Moment Enhancements in Crystals: A Detailed Experimental and Theoretical Charge Density Analysis of 2-Methyl-4-nitroaniline

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