Ab initio study of the structural properties of magnesium |
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| Institution: | 1. Laboratory of Plasmas, Films and Surfaces, Universidade do Estado de Santa Catarina, CCT-UDESC, Joinville, SC 89219-710, Brazil;2. Laboratory of Plasmas and Processes, Instituto Tecnológico de Aeronáutica, São José dos Campos, SP 12228-900, Brazil;1. School of Materials Science and Engineering, Chongqing University, Chongqing 400030, China;2. Department of Nuclear Engineering, North Carolina State University, Raleigh, NC 27695-7909, USA |
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| Abstract: | Structural properties of magnesium in the hcp structure are calculated using the ab initio pseudopotential method within the local-density-functional formalism. The calculated lattice constants, cohesive energy, bulk modulus, and Poisson's ratio are in good agreement with experimental values. A comparison with the results of beryllium is also discussed. |
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