افشار, مهدی

[ 1 ] - بررسی خواص مغناطیسی تک اتم‌های فلزات واسط 3d افزوده شده بر روی بورن نیتراید شش گوشی دوبعدی

In the frame work of relativistic density functional theory, using full potential local orbital band structure scheme (FPLO), the magnetic properties of single 3d transition metals (3d-TM) adsorbed on 2D hexagonal boron nitride (2D h-BN) are investigated. Binding energies between 3d-TM adatoms and 2D h-BN in three different compositions, local spin magnetic moments of 3d-TM and total spin magne...