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- W1855662605 abstract "Abstract By using first‐principles calculations, the authors investigate the structural, mechanical, and electronic properties of experimentally synthesized Os 0.5 W 0.5 B 2 . The calculated structural parameters and elastic properties are in good agreement with the experimental results. In addition, two new 5d transition‐metal diborides (Re 0.5 W 0.5 B 2 and Os 0.5 Re 0.5 B 2 ) are predicted to have promising large shear moduli. The latter mainly come from the non‐uniform distribution of valence charge density, which raises the value of the shear moduli. We discuss potentially high hardness in these materials. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)" @default.
- W1855662605 created "2016-06-24" @default.
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- W1855662605 date "2009-05-01" @default.
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- W1855662605 title "Ab initio study of Os<sub>0.5</sub>W<sub>0.5</sub>B<sub>2</sub>, Re<sub>0.5</sub>W<sub>0.5</sub>B<sub>2</sub>, and Os<sub>0.5</sub>Re<sub>0.5</sub>B<sub>2</sub>with high shear modulus" @default.
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- W1855662605 doi "https://doi.org/10.1002/pssr.200903022" @default.
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