Experimental and Theoretical Study of the Far-Infrared Spectra of Monovalent Impurities in Sodium Chloride

Macdonald, H.F.; Klein, Miles V.; Martin, T. P.

doi:10.1103/physrev.177.1292

Cited by 28 publications

(5 citation statements)

References 28 publications

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“…38,57 For rs-NaCl these values are ϱ = 2.35 and 0 = 5.45. 58 In the case of AlN the used values are close to such derived from RPA or density-functional perturbation theory calculations. 38,57…”

Section: Lattice Polarizabilitysupporting

confidence: 63%

Quasiparticle bands and optical spectra of highly ionic crystals: AlN and NaCl

et al. 2005

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Based on the ab initio density functional theory we study the influence of many-body effects on the quasiparticle ͑QP͒ band structures and optical absorption spectra of highly ionic crystals. Quasiparticle shifts and electron-hole interaction are studied within the GW approximation. In addition to the electronic screening the effect of the lattice polarizability is discussed in detail. Substantial effects are observed for QP bands of AlN and NaCl that have large polaron constants of 1-2. The effect of electronic and lattice polarization on the optical spectra is discussed in terms of dynamical screening and vertex corrections. The results are critically discussed in the light of experimental data available. We find that measured peak positions can be reproduced without lattice polarizability in the screening of the electron-hole interaction and a reduced lattice contribution to the QP shifts.

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Section: Lattice Polarizabilitysupporting

confidence: 63%

Quasiparticle bands and optical spectra of highly ionic crystals: AlN and NaCl

et al. 2005

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“…3d', NaC1:Li showed a peak around 140 cm-1 in the A1, spectrum. For this system resonance modes have already been found in the I R (44.5 em-1) [8] and in thermoconductivity (120 cm-1) [9].…”

Section: Nac1:limentioning

confidence: 57%

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

Möller

Kaiser

1972

Physica Status Solidi (b)

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Impurity induced Raman spectra have been measured in NaCl:Br, NaCl :I, KCl:I, NaCl:Li, and KCI:Ag. The strongest scattering intensities are caused by A1 vibrations in NaCl:Br, NaCl:I, KC1:I and by E, vibrations in NaCl:Li, KC1:Ag. No Fzg scattering could be found in NaCl:Li and no A1, scattering was observed in KC1:Ag. The position and in part the shape of the scattering spectra are discussed. The measured scattering intensities are compared firstly with the polarizabilities (for impurities and neighbours) and the overlap and secondly with the calculated intensities for the three vibration types.Durch Verunreinigungen induzierte Raman-Spektren wurden in NaCl:Br, NaCl:J, KCI:J, NaC1:Li und KCI :Ag gemessen. Die starksten Streuintensitaten werden von A1 g-Schwingungen in NaCl:Br, NaCl:J, KCI :J und von E,-Schwingungen in NaCl:Li, KC1:Ag verursacht. Keine F 2 g-Streuung konnte in NaC1:Li gefunden nerden und keine A1 ,-Streuung wurde in KCl :Rg beobachtet. Die Lage und zum Teil die Form der Streuspektren werden diskutiert. Die gemessenen Streuintensitaten werden einmal mit den Polarisierbarkeiten (fur Verunreinigungen und Nachbarn) und der Uberlappung der Wellenfunktionen und zum anderen mit den berechneten Intensitaten fur die drei Schuingungstypen verglichen.

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“…This is demonstrated in Fig. 25.1, taken from the paper by MACDONALD et al (1969) which was mentioned above in Sect. 21.…”

Section: N X"p(co)=zo mentioning

confidence: 92%

“…The systematic study of various defects in the same host by infrared absorption has been done on NaCI (WEBER and SIEBERT, 1968;MACDONALD and KLEIN, 1968;KLEIN and MACDONALD, 1968;MACDONALD et al, 1969), on KCI and KBr (TIMUSK and WARD, 1969;TIMuSK, 1970, 1972), on KI (SIEVERS, 1965a;WARD et al, 1975), and on CsBr and CsI PRETTL and SIEP, 1971 a, b, c;BECKER, 1971). An analogous study ,.., Sect.…”

Section: Information Contained In Defect-induced Spectramentioning

confidence: 99%

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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Experimental and Theoretical Study of the Far-Infrared Spectra of Monovalent Impurities in Sodium Chloride

Cited by 28 publications

References 28 publications

Quasiparticle bands and optical spectra of highly ionic crystals: AlN and NaCl

Quasiparticle bands and optical spectra of highly ionic crystals: AlN and NaCl

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

Vibrational Infrared and Raman Spectra of Non-Metals

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