Result: Theoretical studies of nonlinear optical crystals in metal cluster compounds
Title:
Theoretical studies of nonlinear optical crystals in metal cluster compounds
Authors:
Source:
ICCG-13/ICVGE-11: Proceedings of the thirteen International Conference on Crystal Growth in conjuction with the eleventh International Conference on Vapor Growth and Epitaxy, Kyoto, Japan, 30 July-4 August 2001. Part 1Journal of crystal growth. 237-39:663-667
Publisher Information:
Amsterdam: Elsevier, 2002.
Publication Year:
2002
Physical Description:
print, 12 ref 1
Original Material:
INIST-CNRS
Subject Terms:
Crystallography, Cristallographie cristallogenèse, Geology, Géologie, Metallurgy, welding, Métallurgie, soudage, Sciences exactes et technologie, Exact sciences and technology, Physique, Physics, Generalites, General, Instruments, appareillage, composants et techniques communs à plusieurs branches de la physique et de l'astronomie, Instruments, apparatus, components and techniques common to several branches of physics and astronomy, Informatique en physique expérimentale, Computers in experimental physics, Modélisation et simulation par ordinateur, Computer modeling and simulation, Physique atomique et moleculaire, Atomic and molecular physics, Propriétés moléculaires et interactions avec les photons, Molecular properties and interactions with photons, Propriétés des molécules et des ions moléculaires, Properties of molecules and molecular ions, Moments électriques et magnétiques (et leurs dérivées), polarisabilités électriques et susceptibilités magnétiques, Electric and magnetic moments (and derivatives), polarizability and magnetic susceptibility, Domaines classiques de la physique (y compris les applications), Fundamental areas of phenomenology (including applications), Optique, Optics, Matériaux optiques, Optical materials, Cristaux pour optique non linéaire, Nonlinear optical crystals, Electric and magnetic moments (and derivatives), polarizability, and magnetic susceptibility, Métal transition Carbonyle Complexe, Transition elements Carbonyls Complexes, Métal transition complexe, Transition element complexes, Argent Molybdène Complexe, Silver Molybdenum Complexes, Argent Tungstène Complexe, Silver Tungsten Complexes, Cobalt Fer Complexe, Cobalt Iron Complexes, Complexe anionique, Anionic complex, Complejo aniónico, Complexe mu, Mu complex, Complejo mu, Complexe polynucléaire, Polynuclear complex, Complejo polinuclear, Complexe sulfuro, Thio complex, Complejo sulfuro, Complexe trinucléaire, Trinuclear complex, Complejo trinuclear, Coordinat organique, Organic ligand, Ligando orgánico, Cuivre Molybdène Complexe, Copper Molybdenum Complexes, Cuivre Tungstène Complexe, Copper Tungsten Complexes, Etude théorique, Theoretical study, Hyperpolarisabilité électrique, Electric hyperpolarizability, Hiperpolarizabilidad eléctrica, Hétérocycle azote, Nitrogen heterocycle, Heterociclo nitrógeno, Matériau optique, Optical materials, Optique non linéaire, Nonlinear optics, Or Tungstène Complexe, Gold Tungsten Complexes, Phosphine tertiaire, Tertiary phosphine, Fosfina terciaria, Polarisabilité électrique, Electric polarizability, Polarizabilidad eléctrica, Propriété optique, Optical properties, Pyridine, Relation structure propriété, Property structure relationship, Relación estructura propiedad, Simulation ordinateur, Computerized simulation, Triphénylphosphine
Document Type:
Conference
Conference Paper
File Description:
text
Language:
English
Author Affiliations:
Siate Key Laboratory of Structural Chemistry, Fujian Insittute of Research on the Strueture of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, China
Theorectical Chemistry Group, Materials Science Center. Rijksuniversiteit Groningen, Nijenborgh 4, 9747 AG Groningen, Netherlands
Theorectical Chemistry Group, Materials Science Center. Rijksuniversiteit Groningen, Nijenborgh 4, 9747 AG Groningen, Netherlands
ISSN:
0022-0248
Rights:
Copyright 2002 INIST-CNRS
CC BY 4.0
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
CC BY 4.0
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
Notes:
Atomic and molecular physics
Metrology
Physics: optics
Metrology
Physics: optics
Accession Number:
edscal.13747190
Database:
PASCAL Archive
Further Information
Theoretical studies and simulations have been applied to explore novel nonlinear optical crystals in metal clusters. The structure-nonlinear optical property relationships of a series of metal cluster molecules have been investigated theoretically within the density functional theory framework. For example, the palarizability and hyperpolarizability of a set of three-nuclear metal cluster compounds of the Mo(W)/Cu(Ag, An) sulfur system are calculated to elucidate the influence of the geometric configuration and the element substitution effect; a set of potential second harmonic generation (SHG) metal cluster crystals are studied and simulated such as the MoAg2S5(Py)(PPh3)2, MoS4Cu4I2(Py)6 clusters. The results indicate that many of these crystals are promising SHG crystals that may be applied in the infrared (IR) spectroscopic region. The studies are useful to aid in screening, simulating and designing novel nonlinear optical crystals in metal cluster compounds, especially those to be applied in medium/far-IR region.