Impurity induced Raman spectra of NaCl and KCl crystals with various monovalent impurities

Möller, W.; Kaiser, R.

doi:10.1002/pssb.2220500119

Cited by 19 publications

(10 citation statements)

References 16 publications

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“…If one assumes, for example, that the defect has a dominating breathing degree of freedom, then the correspondingly strong contribution from to the spectrum of the scattered light has breathing (1;+, A 1g ) symmetry. This picture seems to be supported by Raman measurements by MOLLER and KAI-SER (1972, KAISER andMOLLER, 1969). They find groups of systems.…”

Section: Wlmu=gu-gs 0= -Gu+(2f+g)ssupporting

confidence: 48%

“…They do have minor differences in the dispersion curves which show up as different peak positions, but the corresponding eigenvectors seem very similar as is indicated by the approximately equal peak intensities, although these are an integral of the amplitudes over a certain frequency range. Ag+ impurities and later a series of defects in NaCI and KCI crystals have been investigated by KAISER and MOLLER (1969);MOLLER and KAISER (1972); KAISER et al (1973);MONTGOMERY et al (1972a);and HONER ZU SIEDERDISSEN (1976); a pair vibration has been found also (MOLLER et aI., 1970). Cu + impurities have been studied by MONTGOMERY and KIRBY (1971);GANGULY et al (1972); and in a special context by IVANOV and PINKEVICH (1975).…”

Section: N Dn=2s ; L E"(pjep(ps)f!i<>x"pi<>x'p)e(pjep'(ps)·mentioning

confidence: 94%

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Vibrational Infrared and Raman Spectra of Non-Metals

Bilz¹,

Strauch²,

Wehner³

1984

Light and Matter Id / Licht Und Materie Id

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The vibrational properties of crystals determine the photon infrared absorption, inelastic neutron scattering and, to a large extent, inelastic photon scattering by phonons, i.e., Raman scattering. The interpretation of infrared and Raman spectra requires, therefore, an understanding of the basic features of lattice dynamics. The quantum theory of solids describes the crystal properties in terms of elementary excitations and their mutual interactions. Dynamic properties are represented by phonons (lattice vibrations) and their interactions mainly with other phonons (anharmonicity), electrons (electron-phonon coupling), and photons (interaction with radiation). This characterizes the scope of the article. Its emphasis is on the interrelation between theory and experiment, i.e., on the microscopic or model interpretation of experimental spectra.Work on infrared absorption and Raman scattering of non-metallic solids was summarized twenty years ago in two review articles in this Encyclopedia by LECOMTE (1958) and by MIZUSHIMA (1958). Since then, many important new experimental data have become available, thanks to very refined techniques for measuring spectra of pure and imperfect single crystals. Furthermore, the theory of the interactions of phonons and photons has been much improved, stimulated by the remarkable development of the theory of lattice vibrations and the mathematical techniques of many-body physics.In this article we describe the dispersion and absorption of infrared radiation and Raman scattering in non-metallic crystals, both perfect and containing point defects. At present, quantitative calculations are usually restricted to diatomic crystals, especially those with simple structures such as the alkali halides or germanium and its homologues, since our knowledge of lattice vibrations is still rather poor for polyatomic and low-symmetry crystals. The theory of lattice vibrations, as reviewed by COCHRAN and COWLEY (1967) in Vol. XXV /2a of this Encyclopedia, constitutes the background and the natural starting point for our investigations. There are other recent reviews by LUDWIG (1967), COCHRAN (1971), MARADUDIN et al. (1971), SINHA (1973), and several articles in: HORTON and MARADUDIN (eds., 1974). A summary of the developments during the last few years is given in Chap. B.An important part of the theory of lattice vibrations is the construction of models. A good example is the so-called shell model for phonons (see Sect. 4) which describes the adiabatic linear electron-ion interaction in terms of localized charges and coupling constants. This provides a natural explanation of some long-range ion-ion forces in insulators in terms of induced dipole forces. Anharmonic extensions of this shell model and its modifications seem very desirable, and first attempts in this direction are discussed.Models can often give a qualitatively and sometimes quantitatively correct description of certain processes in terms of a few parameters. They provide, therefore, an orientation for microscopic approaches. Furthermo...

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Section: Wlmu=gu-gs 0= -Gu+(2f+g)ssupporting

confidence: 48%

Section: N Dn=2s ; L E"(pjep(ps)f!i<>x"pi<>x'p)e(pjep'(ps)·mentioning

confidence: 94%

Vibrational Infrared and Raman Spectra of Non-Metals

Bilz¹,

Strauch²,

Wehner³

1984

Light and Matter Id / Licht Und Materie Id

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“…The re-16. sults for Ag+, Br-, and Icentres are taken from Moller and Kaiser [9]. The table is divided into three groups:…”

Section: Pb++ Srf+ and Ca++ Centresmentioning

confidence: 99%

“…The first-order spectrum of KCl(Itb+) is less than one fifth of the KCl(Sr++) spectrum although the concentrations are in the same order of magnitude. The Raman spectra of KCl(Ag+) and KCl(I-) have been published by Moller and Kaiser [9]. The impurity concentration is indicated as 2.5 x 1020 cm-3.…”

Section: Pb++ Srf+ and Ca++ Centresmentioning

confidence: 99%

Impurity‐Induced Raman Spectra of Potassium Halides

Siederdissen

1976

Physica Status Solidi (b)

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Impurity-induced Raman scattering spectra of monovalent (Cs+, Rb+, T1+) and divalent (Pb++, Sr++, Ca++) centres in potassium halides are presented. In the caseof the divalent impurities different spectra are found for associations of one divalent impurity plus one vacancy and aggregates of such associations. Contrary to the monovalent defects these impurities cause a strong Alg spectrum. The Raman scattering cross sections of the T1' and Pb++ impurities are much stronger than those of the other defects (Cs+, Rb+, Sr++, Ca++).Durch Fremdionen induzierte Ramanstreuspektren fiir einfach (Cd, Rb+, T1+) und zweifach (Pb+ +, Sr++, Cat +) positivgeladene Zentren in Kaliumhalogeniden werden.vorgestel1t.Bei den zweifach positiven Zentren werden unterschiedliche Spektren fur Assoziationszentren und Zentrenaggregate gefunden. Diese Zentren zeigen im Gegensatz zu den einfach positiven ein intensives AIg-Spektrum. Der Raman-Streuquerschnitt der isoelektronischen T1+-und Pb++-Zentren ist weit groDer als bei den ubrigen (Cs+, Rb+, Sr++, Cat+).

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“…[6][7][8] The impurity-induced vibration modes of KI:Ag þ were extensively studied by Sievers and coworkers using Raman and IR spectroscopies. [9][10][11][12][13] In the present study, we examine the impurity vibrational states by first principles calculations. Results are compared with the experimental data in order to examine the accuracy and limitations of such calculations.…”

Section: Introductionmentioning

confidence: 99%

First Principles Lattice Dynamics Calculations of Ag<SUP>+</SUP> Doped KX (X=Cl, Br and I)

2009

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Phonon states of Ag doped potassium halides, KX:Ag þ (X ¼ Cl, Br and I), are computed by a first principles lattice dynamic method using 64-atoms supercells. Results are compared to experimental data in literature. Phonon density of states of host KCl and KI crystals satisfactorily agree to the experimental inelastic neutron scattering data. Experimental frequencies of the impurity-induced infra-red (IR) and Raman active modes in the low frequency region are reasonably well reproduced because the vibrations are localized within the first nearest neighbour anions of the Ag þ-ion. On the other hand, limitations of present calculations to reproduce the high frequency impurity-induced modes are pointed out. They are less localized to the Ag þ-ion.

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Impurity induced Raman spectra of NaCl and KCl crystals with various monovalent impurities

Cited by 19 publications

References 16 publications

Vibrational Infrared and Raman Spectra of Non-Metals

Vibrational Infrared and Raman Spectra of Non-Metals

Impurity‐Induced Raman Spectra of Potassium Halides

First Principles Lattice Dynamics Calculations of Ag<SUP>+</SUP> Doped KX (X=Cl, Br and I)

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