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This article is cited in 1 scientific paper (total in 1 paper)
Metals
Structural, elastic, electronic properties and interatomic interactions in metallic tetraboride series $MB_4$ ($M$ = Ru, Rh, Pd, Os, Ir, and Pt) obtained from FLAPW–GGA calculations
D. V. Suetin Institute of Solid State Chemistry, Urals Branch of the Russian Academy of Sciences, Ekaterinburg
Abstract:
The report presents the results of systematic first-principle FLAPW–GGA calculations of a series of metallic tetraborides $MB_4$ (where $M$ = Ru, Rh, Pd, Os, Ir, and Pt) with space groups Pmmn, Immm, R-3 m, and Pnnm. Their equilibrium structural parameters, cohesion and formation energies, elastic constants, anisotropies, Vickers microhardnesses, Debye temperatures, sound velocities, as well as electronic properties and interatomic interactions are estimated and analyzed as compared to each other and the available theoretical data.
Received: 05.07.2018
Citation:
D. V. Suetin, “Structural, elastic, electronic properties and interatomic interactions in metallic tetraboride series $MB_4$ ($M$ = Ru, Rh, Pd, Os, Ir, and Pt) obtained from FLAPW–GGA calculations”, Fizika Tverdogo Tela, 61:1 (2019), 22–40; Phys. Solid State, 60:12 (2018), 2381–2401
Linking options:
https://www.mathnet.ru/eng/ftt8939 https://www.mathnet.ru/eng/ftt/v61/i1/p22
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