The suitability of some compounds as x-ray targets have been investigated using the density functional theory. The stoichiometry for the compounds is A2M (A = Cr, Co, Mo; M = Sb, Sn) in the half Heusler structure. All compounds were investigated in the non-magnetic, ferromagnetic and anti-ferromagnetic states. Overall results showed better hardness, higher melting points and higher atomic number in favour of Mo2Sn, Co2Sn, Cr2Sn and Co2Sb than the existing materials. These compositions are indicated to serve as better/alternative x-ray target materials.
Keywords: x-rays, cobalt, molybdenum, chromium, DOS, melting point, hardness.
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