Phonons of (100) and (110) iron surfaces from first-principles calculations

作     者：J. Łażewski J. Korecki K. Parlinski 

作者机构：Institute of Nuclear Physics Polish Academy of Sciences Radzikowskiego 152 31-342 Kraków Poland Institute of Catalysis and Surface Chemistry Polish Academy of Sciences Niezapominajek 30-239 Kraków Poland Faculty of Physics and Applied Computer Science University of Science and Technology Mickiewicza 30 30-059 Kraków Poland 

出 版 物：《Physical Review B》 (Phys. Rev. B Condens. Matter Mater. Phys.)

年 卷 期：2007年第75卷第5期

页      面：054303-054303页

核心收录：

学科分类：0808[工学-电气工程] 0809[工学-电子科学与技术（可授工学、理学学位）] 07[理学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0702[理学-物理学] 

摘      要：Using the density functional theory and the direct method, phonon dispersion relations and phonon density spectra have been calculated for two slabs with Fe(100) and Fe(110) surfaces. A drastic difference between phonon state distributions for both surfaces has been found. The magnetic moments of surface Fe atoms are enhanced by 30% and 14% for (100) and (110) surfaces, respectively.