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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Il nuovo cimento della Società Italiana di Fisica 11 (1989), S. 963-968 
    ISSN: 0392-6737
    Keywords: Other topics in dielectric properties and materials
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Description / Table of Contents: Riassunto Nel presente lavoro si fa un’analisi del comportamento dielettrico e del contributo anarmonico alle costanti dielettriche di cristalli ionici misti di KCl−KBr. Si calcolano le derivate della temperatura e del volume di costanti dielettriche statiche (ε0) ed elettroniche (ε∞) e del parametro di gap energetico (E g) usando le teorie dielettriche di Szigeti e di Havinga e Bosman. Si sono stimati i contributi anarmonici nei termini delle derivate della temperatura di costanti dielettriche a volumi costanti. È stata usata la forma modificata della teoria di Clausius-Mossotti della polarizzazione dielettrica per il cristallo misto allo studio. Si sono confrontate le quantità calcolate con i dati sperimentali disponibili. È stato ottenuto un buon accordo.
    Abstract: Резюме В этой статье проводится анализ диэлектрического поведения и ангармонического вклада в диэлектрические постоянные смешанных ионных кристаллов KCl−KBr. Используя диэлектрические теории Эвигети и Хавинга и Босмана, вычисляются производные статической величины (ε0) по температуре и обьему, электронные (ε∞) диэлектрические постоянные и параметр энергетической щели (E g). Оцениваются ангармонические вклады в терминах температурных производных диэлектрических постоянных при постоянном обьеме. Для исследования смешанных кристаллов используется модифицированный вариант теории Клаузиуса-Моссотти для диэлектрической поляризации. Вычисленные величины сравниваются с имеющимися экспериментальными данными. Получается хорошее согласие.
    Notes: Summary In the present paper an analysis of the dielectric behaviour and anharmonic contribution to the dielectric constants has been made of KCl−KBr mixed ionic crystals. The temperature and volume derivatives of static (ε0), electronic (ε∞) dielectric constants and energy gap parameter (E g) have been calculated using the Szigeti and Havinga and Bosman dielectric theories. The anharmonic contributions have been estimated in terms of temperature derivatives of dielectric constants at constant volumes. The modified form of Clausius-Mossotti theory of dielectric polarization has been used for the mixed crystal under study. The calculated quantities have been compared with the available experimental data. A good agreement has been obtained.
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Il nuovo cimento della Società Italiana di Fisica 3 (1984), S. 331-340 
    ISSN: 0392-6737
    Keywords: General theory
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Description / Table of Contents: Riassunto Un modello di forza interionica è stato usato per analizzare le proprietà anarmoniche elastiche di sistemi di cristalli diatomici misti con composizioni variabili. Il sistema d’interazione consiste in interazioni di Coulomb a largo raggio e a tre corpi nell’àmbito della repulsione a corto raggio di Hagemeister-Zorht (HZ), efficaci fino a ioni secondi vicini. Questo potenziale interionico è stato usato per prevedere costanti elastiche di terz’ordine, la prima derivata di pressione delle costanti elastiche di second’ordine e il parametro di Anderson-Grüneisen (AG) in cristalli misti NaCl−NaBr e AgCl−AgBr. I valori del parametro di durezza tra vicini prossimi e tra secondi vicini prossimi sono stati calcolati usando il metodo dell’integrale di sovrapprosizione. I risultati ottenuti in questo studio sono generalmente in buon accordo con i dati sperimentali disponibili se confrontati con quelli ottenuti da precedenti ricerche. I valori sperimentali del parametro di Anderson-Grüneisen sono stati calcolati usando la relazione di Chang.
    Abstract: Резюме Используется модель междуионной силы для анализа ангармонических упругих свойств смешанных двухатомных кристаллических систем с изменяющимся составом. Взаимодействие системы состоит из длиннодействующего кулоновского взаимодействия и взаимодействий трех тел в рамках короткодействующего отталкивания Хафемайстера-Зарта, с учетом взаимодействий с ионами, следующими за соседями. Предложенный междуионный потенциал используется для предсказания упругих постоянных третьего порядка, первой производной упругих постоянных второго порядка по давлению и параметра Андерсона-Грюнайзена в смешанных кристаллах NaCl−NaBr и AgCl−AgBr. Оцениваются параметры жесткости между соседними ионами, а также между ионами, следующими за соседними. Полученные результаты хорошо согласуются с имеущимися экспериментальными данными. Используя соотношение Чанга, вычисляются экспериментальные значения параметра Андерсона-Грюнайзена.
    Notes: Summary An interionic-force model has been employed to analyse the anharmonic elastic properties of mixed-diatomic-crystal systems with varying compositions. The interaction system consists of long-range Coulomb and three-body interactions within the framework of Hafemeister-Zarht (HZ) short-range repulsion, effective up to second-neighbour ions. This interionic potential has been used for predicting the third-order elastic constants, the first pressure derivative of second-order elastic constants and the Anderson-Grüneisen (AG) parameter in NaCl−NaBr and AgCl−AgBr mixed crystals. The values of the hardness parameter between nearest neighbours as well as between second nearest neighbours have been evaluated by using the overlap integral method. The results obtained in the present study are generally in good agreement with the available experimental data as compared to those obtained by earlier investigations. The experimental values of the Anderson-Grüneisen parameter have been calculated by using Chang’s relation.
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  • 3
    Electronic Resource
    Electronic Resource
    Springer
    Il nuovo cimento della Società Italiana di Fisica 9 (1987), S. 1397-1402 
    ISSN: 0392-6737
    Keywords: Other topics in dielectric properties and materials
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Description / Table of Contents: Riassunto Si sviluppa un modello esteso a strati della forza a tre corpi e se ne fa uso per un'analisi della dipendenza dal volume delle costanti dielettriche a bassa e alta frequenza e dei parametri termoelastici di Grüneisen per cristalli di CaF2, SrF2, BaF2 e PbF2. Si modificano le relazioni di Lorentz-Lorenz e di Clausius-Mossotti in vista delle interazioni a tre corpi (TBI). I risultati calcolati sono in migliore accordo con i dati sperimentali di quelli ottenuti da precedenti studi.
    Abstract: Резюме Предлагается оболочечная модель для протяженной трех-частичной силы. эта модель используется для анализа обьемной зависимости при низких и высоких частотах диэлектрических постоянных и термо-упругих параметров Грюнайзена для кристаллов CaF2, SrF2, BaF2 и PbF2. Для трех-частичных взаимодействий модифицируются соотношения Лоренц-Лоренца и Клаузиуса-Москотти. Вычисленные результаты дают лучшее согласие с экспериментальными данными, чем результаты других авторов.
    Notes: Summary An extended three-body force shell model is developed and used to make an analysis of the volume dependence of low- and high-frequency dielectric constants and thermoelastic Grüneisen parameters for CaF2, SrF2, BaF2 and PbF2 crystals. Lorentz-Lorenz and Clausius-Mossotti relations are modified in view of three-body interactions (TBI). Calculated results yield better agreement with the experimental data as compared to those obtained by previous investigators.
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  • 4
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    Industrial & engineering chemistry research 30 (1991), S. 2573-2576 
    ISSN: 1520-5045
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
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  • 5
    ISSN: 1432-2021
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Abstract  A simple theoretical method for the determination of bulk modulus and equation of state is investigated and applied for six minerals of geophysical importance. The results obtained at different temperatures are found to present a good agreement with the experimental data. The simplicity of the method is discussed in the light of other methods in high temperature research on minerals.
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  • 6
    Electronic Resource
    Electronic Resource
    Springer
    Czechoslovak journal of physics 41 (1991), S. 813-817 
    ISSN: 1572-9486
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract In the present study an analysis of the cohesive and elastic properties has been performed in fourteen alkali chalcogenide crystals using the composite potential forms based on the Drude oscillator model. The short-range overlap repulsion has been considered up to the second nearest neighbour interactions. The van der Waals coefficients have been estimated from the Kirkwood-Muller formulae. Cohesive energies, bulk-modulus and its pressure derivatives calculated for the entire family of crystals under study are found to present a good agreement with available experimental data, better than those obtained by previous workers using the traditional Born potential model.
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  • 7
    Electronic Resource
    Electronic Resource
    Springer
    Czechoslovak journal of physics 41 (1991), S. 959-965 
    ISSN: 1572-9486
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract In the present paper an analytical potential form is used for overlap repulsive energy, derived by Harrison from quantum mechanical considerations, along with the composite effect of three-body forces and intersublattice displacement. The short-range overlap parameters in Harrison's potential form have direct correlation with the valence state energies for outermost electrons. The potential model is applied to calculate the third and fourth order elastic constants, first and second pressure derivatives of second order elastic constants, Grüneisen parameter and its volume dependence, Anderson parameter, and thermal expansion coefficient for three non-centrosymmetric crystals, viz. CaF2, SrF2 and BaF2. The calculated values of various physical quantities are found to be in good agreement with experimental data.
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  • 8
    Electronic Resource
    Electronic Resource
    Springer
    Czechoslovak journal of physics 37 (1987), S. 1288-1295 
    ISSN: 1572-9486
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract In the present paper a three-body potential model (TBPM) has been employed for the analysis of dielectric behaviour of NaCl-NaBr and and KCl-KBr mixed crystals with varying compositions. The physical properties like dielectric constants (ɛ 0 andɛ ∞), optic mode frequencies (Ω OLO andΩ TO), effective charge parameter (e s * ), optic mode Grüneisen parameters and strain derivatives ofɛ 0 andɛ ∞ dielectric constants have been calculated. The results achieved in the present study are found in fairly good agreement with the available experimental data. The results obtained by previous investigators are also shown for the sake of comparison.
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  • 9
    Electronic Resource
    Electronic Resource
    Springer
    Czechoslovak journal of physics 41 (1991), S. 1257-1264 
    ISSN: 1572-9486
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Harrison's overlap repulsive potential has been used for evaluating cohesive energies, bulk modulus and its pressure derivatives, Gruneisen parameter, and the volume derivatives of Gruneisen parameter for cuprous halides, silver halides and thallous halides. This potential has replaced the old and widely used Born-Mayer potential in ionic crystals. The Harrison repulsive potential has been represented by a quantum mechanical analytical potential form derived from the tight binding theory. The parameters involved in this potential form have been determined in terms of valence state energies of outermost d-electrons of Cu+, Ag+ and Tl+ ions. The results calculated in the present study have been found in good agreement with experimental data and better than those predicted from the Born potential model.
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  • 10
    Electronic Resource
    Electronic Resource
    Springer
    Journal of superconductivity 10 (1997), S. 669-672 
    ISSN: 1572-9605
    Keywords: Equation of state ; bulk modulus ; cohesive energy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Electrical Engineering, Measurement and Control Technology , Physics
    Notes: Abstract In the present paper the expression of cohesive energy and the bulk modulus as a function of volume are formulated for high-T c copper oxide superconductors. The model employed consists of long-range electrostatic Coulomb interaction and short-range overlap repulsion. The short-range overlap potential is considered in the Born–Landé inverse power form. The model parameters of the Born–Landé model are calculated from the equilibrium condition and data of bulk modulus at room temperature. The computed values of pressure derivatives of bulk modulus at P=0 and the values of bulk modulus are found to be in very close agreement with experimental values for high-T c copper oxide and their nonsuperconducting parent compounds. It is also found that the quantity ΔU/U(V 0) of these compounds increases with increasing hydrostistic pressure.
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