This article is cited in 1 scientific paper (total in 1 paper)
Metals
Structural, elastic, electronic properties and interatomic interactions in metallic tetraboride series MB4 (M = Ru, Rh, Pd, Os, Ir, and Pt) obtained from FLAPW–GGA calculations
Abstract:
The report presents the results of systematic first-principle FLAPW–GGA calculations of a series of metallic tetraborides MB4 (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.
Citation:
D. V. Suetin, “Structural, elastic, electronic properties and interatomic interactions in metallic tetraboride series MB4 (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