M Labora & CD Villagonzalo. Ab-initio structural investigation of Fe/V (001) multilayers, in Proceedings of the 21st Samahang Pisika ng Pilipinas Physics Congress, SPP-2003-1D-02 (University of San Carlos, Cebu City, 2003).
Abstract
The structural properties of Fe/V multilayers are studied using electronic structure calculations. A first principle numerical calculation is implemented using the Full Potential Linear Muffin-Tin (FPLMTO) method based on the Density Functional Theory (DFT). The number of Fe and V in a Fe/V supercell is varied while the total atoms is kept constant. The energetically equilibrium structure of this multilayer is presented. Two types of multilayer structures, the Fe-on-V and the V-on-Fe, are investigated and compared to bulk values and reported experimental results.
Conference Location
University of San Carlos, Cebu City
Conference Date
22–25 Oct 2003