First-principles study of the interfacial structures ofAu∕MgO(001)

Dispersion and Damping of Gold Surface Plasmon

“…However, the investigation of both the dispersion and the damping relation of SP with an adequate resolution in the reciprocal space is accessible only by EELS and, to date, no measurements addressing this problem exist. On the other hand, understanding the behavior of Au collective excitations is a necessary step towards the tailoring of Au-based catalysts [30][31][32][33][34][35][36][37][38][39].…”

“…While silver was extensively investigated [7,14,20,[21][22][23][24], by contrast gold systems, such as semi-infinite media [25], thin films [26], quantum wires [27,28], and nanoparticles [29] have attracted relevant interest only in recent years as a consequence of the discovery that Au is a selective catalyst for a variety of important chemical reactions [30][31][32][33][34][35][36][37][38][39].…”

Electronic structure and optical properties of In doped SrTiO3/MgO(001)

“…PWPP calculations were performed by using the supercell of SrTiO 3 (n)/MgO(m) (n = 5, 7, 9; m = 3), in which three MgO layers were chosen according to Refs. [16,40,41]. No significant difference in the interfacial energy (0.889, 0.962, and 1.035 J/m 2 ) was observed between them.…”

“…First-principles method has been proven very useful to study interface materials [15,16] and favorable to enhance the microscopic understanding of perovskites [17,18]. In the present study, plane-wave pseudopotential (PWPP) calculations have been performed within the density functional theory by using the CASTEP code [19].…”

X-ray photoelectron spectroscopy analysis as a tool to assess factors influencing magnetic anisotropy type in Co/MgO system with gold interlayer

“…However, the development of PMA in materials based on F/MO x interfaces is still problematic due to incomplete understanding of its causes. Some researchers declare that PMA can be created only through a hybridization of F 3d and O 2p orbitals at the F/MO x interface, while others show that placing an appropriate underlying nonmagnetic material is critical for developing PMA [6][7][8][9][10]. Studies of the electronic structures of F/MO x linked together with magnetic measurements and theoretical studies should, hopefully, lead to a full understanding of PMA in such systems.…”