TY - JOUR AU - Thiess, A. AU - Mokrousov, Y. AU - Heinze, S. TI - Competing magnetic anisotropies in atomic-scale junctions JO - Physical review / B VL - 81 IS - 5 SN - 1098-0121 CY - College Park, Md. PB - APS M1 - PreJuSER-10052 SP - 054433 PY - 2010 N1 - Financial support of the Stifterverband fur die Deutsche Wissenschaft is gratefully acknowledged. We also thank Phivos Mavropoulos for discussions. AB - Using first-principles calculations, we study the magnetism of 5d transition-metal atomic junctions including structural relaxations and spin-orbit coupling. Upon stretching monoatomic chains of W, Ir, and Pt suspended between two leads, we find the development of strong magnetism and large values of the magnetocrystalline anisotropy energy (MAE) of up to 30 meV per chain atom. We predict that switches of the easy magnetization axis of the nanocontacts upon elongation should be observable by ballistic anisotropic magnetoresistance measurements. Due to the different local symmetry, the contributions to the MAE of the central chain atoms and chain atoms in the vicinity of the leads can have opposite signs which reduces the total MAE. We demonstrate that this effect occurs independent of the chain length or geometry of the electrodes. KW - J (WoSType) LB - PUB:(DE-HGF)16 UR - <Go to ISI:>//WOS:000274998000083 DO - DOI:10.1103/PhysRevB.81.054433 UR - https://juser.fz-juelich.de/record/10052 ER -