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- W2056785329 abstract "The electronic structures, mechanical and thermodynamic properties of alkaline-earth hexaborides MB6 (M = Ca, Sr or Ba) are calculated from first principles using density functional theory combined with the quasi-harmonic approximation. These three alkaline-earth hexaborides are semiconductors with a slightly increased trend for their band gaps as M orders from Ca to Ba. Their band gaps depend sensitively on the values of lattice constant a and internal parameter z. The polycrystalline values of the elastic constants and bulk, shear and Young’s moduli are consistent with those determined experimentally. All alkaline-earth hexaborides have strongly anisotropic elastic properties in the order of CaB6 > SrB6 > BaB6. By using the phonon calculations, the thermodynamic properties are investigated. The obtained phonon dispersion relations for CaB6, SrB6, and BaB6 show similar features and there are LO/TO splitting lines in the range of 5–10 THz. Finally, the thermal conductivities of CaB6, SrB6 and BaB6 are evaluated via Clarke’s model and Cahill’s model." @default.
- W2056785329 created "2016-06-24" @default.
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- W2056785329 date "2015-06-01" @default.
- W2056785329 modified "2023-10-16" @default.
- W2056785329 title "Electronic structures, mechanical and thermodynamic properties of cubic alkaline-earth hexaborides from first principles calculations" @default.
- W2056785329 cites W1480179244 @default.
- W2056785329 cites W1503171032 @default.
- W2056785329 cites W1517971213 @default.
- W2056785329 cites W1550186202 @default.
- W2056785329 cites W1630176500 @default.
- W2056785329 cites W1674578888 @default.
- W2056785329 cites W1740891833 @default.
- W2056785329 cites W1963788509 @default.
- W2056785329 cites W1966800153 @default.
- W2056785329 cites W1972667723 @default.
- W2056785329 cites W1976364261 @default.
- W2056785329 cites W1976635945 @default.
- W2056785329 cites W1982346969 @default.
- W2056785329 cites W1984003326 @default.
- W2056785329 cites W1984359813 @default.
- W2056785329 cites W1985113603 @default.
- W2056785329 cites W1986082888 @default.
- W2056785329 cites W1988921936 @default.
- W2056785329 cites W1990405693 @default.
- W2056785329 cites W1991184392 @default.
- W2056785329 cites W1991651466 @default.
- W2056785329 cites W1993952648 @default.
- W2056785329 cites W1995600697 @default.
- W2056785329 cites W1997649220 @default.
- W2056785329 cites W1997940629 @default.
- W2056785329 cites W1997966854 @default.
- W2056785329 cites W2007969893 @default.
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- W2056785329 cites W2028957678 @default.
- W2056785329 cites W2029741576 @default.
- W2056785329 cites W2033683440 @default.
- W2056785329 cites W2035191465 @default.
- W2056785329 cites W2035976108 @default.
- W2056785329 cites W2036113194 @default.
- W2056785329 cites W2036317543 @default.
- W2056785329 cites W2036890672 @default.
- W2056785329 cites W2043815663 @default.
- W2056785329 cites W2044570924 @default.
- W2056785329 cites W2045349099 @default.
- W2056785329 cites W2047029129 @default.
- W2056785329 cites W2047996121 @default.
- W2056785329 cites W2050927873 @default.
- W2056785329 cites W2053027804 @default.
- W2056785329 cites W2054928639 @default.
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- W2056785329 cites W2062356808 @default.
- W2056785329 cites W2062558484 @default.
- W2056785329 cites W2064952326 @default.
- W2056785329 cites W2071920553 @default.
- W2056785329 cites W2072663944 @default.
- W2056785329 cites W2073531811 @default.
- W2056785329 cites W2074291909 @default.
- W2056785329 cites W2075937489 @default.
- W2056785329 cites W2076576658 @default.
- W2056785329 cites W2083871441 @default.
- W2056785329 cites W2084392922 @default.
- W2056785329 cites W2084407526 @default.
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- W2056785329 cites W2095334472 @default.
- W2056785329 cites W2117746933 @default.
- W2056785329 cites W2117894566 @default.
- W2056785329 cites W2127840211 @default.
- W2056785329 cites W2147699377 @default.
- W2056785329 cites W2154600910 @default.
- W2056785329 cites W2161771635 @default.
- W2056785329 cites W2163382337 @default.
- W2056785329 cites W2165024280 @default.
- W2056785329 cites W2166244948 @default.
- W2056785329 cites W2230728100 @default.
- W2056785329 cites W2316374566 @default.
- W2056785329 cites W2318505680 @default.
- W2056785329 cites W2325628814 @default.
- W2056785329 cites W2410107026 @default.
- W2056785329 cites W2950023141 @default.
- W2056785329 cites W2963442208 @default.
- W2056785329 cites W3144469962 @default.
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- W2056785329 doi "https://doi.org/10.1016/j.jallcom.2015.02.128" @default.
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