Structural and electronic properties of RuSi, RuGe and OsSi are investigated by first-principle density-functional calculations based on ultrasoft pseudopotential and generalized gradient approximations for the exchange-correlation functional The bulk moduli for RuGe and OsSi which have not been available from experiments are predicted to be 2.08 and 2.65 Mbar. Though all these compounds with a B20 structure are semiconductors according to the calculation, their band gaps are overestimated compared to those from experiments by a factor of about two.
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机译：Structural geometry, electronic structure, thermo-electronic and optical properties of GaCuO2 and GaCu0.94Fe0.06O2: a first principle approach of three DFT functionals
机译：利用扫描穿隧显微镜探讨在硒化铟上未氧化表面和氧化表面之介面接合处的电子特性 =Scanning Tunneling Microscope study of InSe Surface Electronic Properties at the Fresh/Oxided Interface Junction
