2016
DOI: 10.1007/s11664-016-4681-4
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A Comparative Study of Structural Stability and Mechanical and Optical Properties of Fluorapatite (Ca5(PO4)3F) and Lithium Disilicate (Li2Si2O5) Components Forming Dental Glass–Ceramics: First Principles Study

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Cited by 36 publications
(26 citation statements)
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“…From the quantum-mechanics (i.e., microscopic) viewpoint, the optical dielectric loss is strongly correlated to the occupied and unoccupied electronic states within a solid. Furthermore, it is microscopically confirmed that the primary peak in the imaginary part of dielectric function is in strong correspondence with the interband transitions [26,27]. The results of the current work (shown in Figure 6) reveal that the calculated optical dielectric loss ( = 2 ) against the photon energy can be used to study the optical band gap.…”
Section: ]supporting
confidence: 67%
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“…From the quantum-mechanics (i.e., microscopic) viewpoint, the optical dielectric loss is strongly correlated to the occupied and unoccupied electronic states within a solid. Furthermore, it is microscopically confirmed that the primary peak in the imaginary part of dielectric function is in strong correspondence with the interband transitions [26,27]. The results of the current work (shown in Figure 6) reveal that the calculated optical dielectric loss ( = 2 ) against the photon energy can be used to study the optical band gap.…”
Section: ]supporting
confidence: 67%
“…The imaginary part of the dielectric function mainly identifies the electronic transition from an occupied state to an empty state [26]. The correlation between optical dielectric loss and band structure can be realized from the following equation [27]:…”
Section: ]mentioning
confidence: 99%
“…It is also stated from quantum mechanics (microscopic) that a strong relationship between the electronic states and the optical loss parameter exists depending on whether they are filled and unfilled in solids. As previously mentioned there is also a correlation between the imaginary part of the dielectric function and interband transitions that has been confirmed from quantum mechanics [ 285 , 288 , 295 ]. Additionally, it is of great importance to take advantage of optically induced transition and band structure of materials from analysis of optical absorption process [ 297 ].…”
Section: Optical Parametersmentioning
confidence: 64%
“…The theoretical principle of optical dielectric constant is based on a complex function of frequency. Thus, large-scale computational endeavor is needed to calculate dielectric constants [ 288 , 289 , 290 , 291 ]. On the other hand, experimental estimation of dielectric constant from the optical dielectric function on imaginary part ( ε 2 ) is easily achieved using refractive index and extinction coefficient in the calculation as shown in the following relationship [ 78 , 281 , 282 , 283 , 284 , 285 , 286 ]: where K and n are the extinction coefficient and refractive index, respectively.…”
Section: Optical Parametersmentioning
confidence: 99%
“…Such an increase is related to the increment of the density of states since ε 1 can be directly associated with the density of states inside the forbidden gap of the solid polymer films [43]. Previous studies established that ε 1 is related to the electronic part and depends strongly on the optical bandgap [28,44]. This can be better understood from the well-known Penn model [45], as given by:ε1false(0false)1+(ωp/Eg)2…”
Section: Resultsmentioning
confidence: 99%