The effect of rare-earth substitution on the Debye temperature of inorganic phosphors
Sign Up to like & getrecommendations! Published in 2020 at "Applied Physics Letters"
DOI: 10.1063/1.5142167
Abstract: In the quest to predict photoluminescent efficiency in rare-earth substituted inorganic phosphors, research has shown that materials consisting of ordered, rigid crystal structures tend to possess the highest photoluminescent quantum yields. A compound's Debye temperature… read more here.
Keywords: temperature; rare earth; substitution; inorganic phosphors ... See more keywords
Computational investigation of the structural, elastic, electronic, and thermodynamic properties of chloroperovskites GaXCl3 (X = Be, Ca, or Sr) using DFT framework
Sign Up to like & getrecommendations! Published in 2024 at "Physica Scripta"
DOI: 10.1088/1402-4896/ad418b
Abstract: In this study, we employed the pseudopotential plane wave approach to examine the influence of the X atom (X = Be, Ca, or Sr) on the physical properties of isostructural chloroperovskites GaXCl3. The GGA-PBEsol functional… read more here.
Keywords: temperature; chloroperovskites gaxcl3; debye temperature; computational investigation ... See more keywords
Correlation between the ionicity, Debye temperature, cohesive energy and thermal expansion coefficient of the group IIB-VIA semiconductors
Sign Up to like & getrecommendations! Published in 2025 at "Physica Scripta"
DOI: 10.1088/1402-4896/adc0cb
Abstract: Based on the local bond average approach and the definition of the thermal expansion coefficient, the temperature-dependent thermal expansion coefficient for Group ⅡB-ⅥA semiconductors has been established. The consistency in theoretical results and reported values… read more here.
Keywords: thermal expansion; expansion coefficient; debye temperature;
On the Calculation of the Debye Temperature and Crystal–Liquid Phase Transition Temperature of a Binary Substitution Alloy
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DOI: 10.1134/s1063783418050190
Abstract: A method of estimating the interatomic pair interaction potential parameters for a binary substitution alloy with consideration for the deviation of its lattice parameter from the Vegard law is proposed. This method is used as… read more here.
Keywords: binary substitution; alloy; temperature; substitution alloy ... See more keywords
Mechanical Properties, Electronic Structures, and Debye Temperature of NixBy Compounds Obtained by the First Principles Calculations
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DOI: 10.3390/cryst8120451
Abstract: Mechanical properties, electronic properties, and Debye temperatures of NixBy (Ni3B, Ni2B, Ni4B3 and NiB) compounds were obtained by the first principles calculations based on the density functional theory (DFT). The results showed that the formation… read more here.
Keywords: properties electronic; nixby compounds; mechanical properties; compounds obtained ... See more keywords
The Effect of Alloying Elements on the Structural Stability, Mechanical Properties, and Debye Temperature of Al3Li: A First-Principles Study
Sign Up to like & getrecommendations! Published in 2018 at "Materials"
DOI: 10.3390/ma11081471
Abstract: The structural stability, mechanical properties, and Debye temperature of alloying elements X (X = Sc, Ti, Co, Cu, Zn, Zr, Nb, and Mo) doped Al3Li were systematically investigated by first-principles methods. A negative enthalpy of… read more here.
Keywords: stability; stability mechanical; al3li; structural stability ... See more keywords