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• W1969503896 abstract "We present ab-initio investigation of the electronic and magnetic structure of TM(0 0 1) surfaces and TM/Cu(0 0 1) systems (TM=Fe, Co, Ni, Cu) with and without hydrogen adsorbed layer. The adsorption energy of hydrogen atom is found to be energetically more stable above the surface layer of Ni(0 0 1) surface than other TM(0 0 1) surfaces. The adsorption energies of hydrogen on TM/Cu(0 0 1) systems are larger than those on TM(0 0 1) surfaces. The relaxed geometries show that hydrogen has a strong influence on the interlayer distance. Furthermore, a marked reduction of Fe, Co, and Ni surface magnetic moments to 2.54, 1.41 and 0.25 μB, respectively, is obtained due to the presence of hydrogen." @default.
• W1969503896 created "2016-06-24" @default.
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• W1969503896 date "2010-04-01" @default.
• W1969503896 modified "2023-10-18" @default.
• W1969503896 title "The influence of hydrogen on the electronic and magnetic structures of TM(001) (TM=Fe, Co, Ni, and Cu) surfaces and interfaces: Ab-initio calculations" @default.
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• W1969503896 doi "https://doi.org/10.1016/j.jmmm.2009.11.002" @default.
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