相关论文: Orbital Hybridization-Driven Stabilization and Rea…
Polar crystal surfaces play an important role in the functionality of many materials, and have been studied extensively over many decades. In this article, a theoretical framework is presented that extends existing theories by placing the…
We have studied the chemisorption processes of O2 on the (100) surface of uranium using generalized gradient approximation to density functional theory. Dissociative adsorptions of O2 are significantly favored compared to molecular…
We report the existence of a two-dimensional electron system (2DES) at the (001) surface of CaTiO3. Using angle-resolved photoemission spectroscopy, we find a hybridization between the d_xz and d_yz orbitals, not observed in the 2DESs at…
We report on a computational study of the clean and oxygen-covered Rh(110) surface, based on density-functional theory within the local-density approximation. We have used plane-wave basis sets and Vanderbilt ultra-soft pseudopotentials.…
Orbital-related physics attracts growing interest in condensed matter research, but direct real-space access of the orbital degree of freedom is challenging. Here we report a first, real-space, imaging of a surface- assisted orbital ordered…
The ability to build atomically precise structures on surfaces with complete control over both atomic placement and chemical bonding remains a central challenge in nanoscale fabrication. Here, we demonstrate simultaneous spatial and…
The hydrophobicity of CeO2 surfaces is examined here. Since wettability measurements are extremely sensitive to experimental conditions, we propose a general approach to obtain contact angles between water and ceria surfaces of specified…
The availability of low-index rutile TiO2 single crystal substrates with atomically flat surfaces is essential for enabling epitaxial growth of rutile transition metal oxide films. The high surface energy of the rutile (001) surface often…
The c(6x2) is a reconstruction of the SrTiO3(001) surface that is formed between 1050-1100oC in oxidizing annealing conditions. This work proposes a model for the atomic structure for the c(6x2) obtained through a combination of results…
Current-induced spin-orbit torque (SOT) plays a crucial role in the next-generation spin-orbitronics. Enhancing its efficiency is both fundamentally and practically interesting and remains a challenge to date. Recently, orbital counterparts…
Electrochemical energy and substance conversion devices involve complex electrode processes, characterized by multiple charge transfer steps, competing pathways, and various intermediates. Such complexity makes it challenging to enhance…
The ability to manipulate polar entities with multiple external fields opens exciting possibilities for emerging functionalities and novel applications in spin systems, photonics, metamaterials, and soft matter. Liquid crystals (LCs),…
The diverse functionality emerging at oxide interfaces calls for a fundamental understanding of the mechanisms and control parameters of electronic reconstructions. Here, we explore the evolution of electronic phases in…
Surface oxidation processes are crucial for the functionality of Cu-based catalytic systems used for methanol synthesis, partial oxidation of methanol or the water-gas shift reaction. We assess the stability and population of the…
Polarization-induced renormalization of the frontier energy levels of interacting molecules and surfaces can cause significant shifts in the excitation and transport behavior of electrons. This phenomenon is crucial in determining the…
Iron oxides are among the most abundant compounds on Earth and have consequently been studied and used extensively in industrial processes. Despite these efforts, concrete understanding of some of their surface phase structures has remained…
Polar crystals composed of charged ionic planes cannot exist in nature without acquiring surface changes to balance an ever-growing dipole. The necessary changes can manifest structurally or electronically. An electronic asymetry has long…
Orthogonal circularly polarized light is essential for multiplexing tunable metasurfaces. Mainstream spin-decoupled metasurfaces, consisting of numerous meta-atoms with mirror symmetry, rely on the cooperative modulation of the…
The orbital character, orientation, and magnetic polarization of the O 2$p$ unoccupied states near the Fermi level ($E_F$) in CrO$_2$ was determined using polarization-dependent X-ray absorption spectroscopy (XAS) and X-ray magnetic…
Owing to its inherent non-trivial geometry, the unique structural motif of the recently discovered Kagome topological superconductor AV3Sb5 is an ideal host of diverse topologically non-trivial phenomena, including giant anomalous Hall…