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- W2012774624 abstract "Using the augmented spherical wave methods the authors calculate the electronic structure of the transition-metal monoborides of the form TM-B (TM=Sc, Ti, V, Cr, Mn, Fe, Co, Ni or Cu) for five different structure types (FeB, CrB, NaCl, CsCl and CuAu). From the curves of total energy against volume, they determine the preferred crystallographic modification which confirms the experimental trend. For FeB and MnB, their spontaneous magnetic ordering is taken into account. The equilibrium volumes and magnetic moments are in agreement with measurements. The binding mechanism in the FeB and CrB structure types exhibits not only transition-metal-boron interactions but also strong boron-boron bonds along the chains which are responsible for their stability." @default.
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- W2012774624 date "1988-05-30" @default.
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- W2012774624 title "The calculated electronic and structural properties of the transition-metal monoborides" @default.
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- W2012774624 doi "https://doi.org/10.1088/0022-3719/21/15/015" @default.
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