Atomic and Electronic Manipulation of Robust Ferroelectric Polymorphs
Sign Up to like & getrecommendations! Published in 2022 at "Advanced Materials"
DOI: 10.1002/adma.202202633
Abstract: Polymorphism allows the symmetry of the lattice and spatial charge distributions of atomically thin materials to be designed. While various polymorphs for superconducting, magnetic, and topological states have been extensively studied, polymorphic control is a… read more here.
Keywords: ferroelectric polymorphs; atomically thin; polymorphs; manipulation ... See more keywords
Evolution of atomic and electronic structures of TaP under high pressure
Sign Up to like & getrecommendations! Published in 2018 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2017.10.031
Abstract: Abstract As one of the first known Weyl semimetals, TaP exhibits intriguing topological properties and has received intensive attention. We investigated the evolution of atomic and electronic structure of TaP in a wide pressure range… read more here.
Keywords: phase; evolution atomic; atomic electronic; phase phase ... See more keywords
First-principles study of the atomic and electronic properties of (1 0 0) stacking faults in BaSnO3 crystal
Sign Up to like & getrecommendations! Published in 2018 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2018.01.036
Abstract: Abstract We investigated the atomic and electronic properties of (1 0 0) stacking fault (SF) in undoped and La-doped BaSnO3 by first-principles calculations. It was found that 1/2[1 1 1] (1 0 0) SF is energetically favorable when Ba atoms occupy… read more here.
Keywords: principles study; study atomic; atomic electronic; electronic properties ... See more keywords
Atomic and electronic structure of oxygen polyvacancies in ZrO2
Sign Up to like & getrecommendations! Published in 2017 at "Microelectronic Engineering"
DOI: 10.1016/j.mee.2017.05.036
Abstract: Abstract We investigate oxygen-deficient crystalline zirconia using quantum-chemical simulation within the hybrid density functional theory. It was shown that the oxygen vacancy in ZrO 2 is the amphoteric defects and it can act as the… read more here.
Keywords: oxygen; oxygen polyvacancies; electronic structure; polyvacancies zro2 ... See more keywords
Atomic and electronic structure of graphene oxide/Cu interface
Sign Up to like & getrecommendations! Published in 2018 at "Thin Solid Films"
DOI: 10.1016/j.tsf.2018.09.002
Abstract: Abstract The results of X-ray photoemission (XPS) and valence bands spectroscopy, optically stimulated electron emission (OSEE) measurements and density functional theory based modeling of graphene oxide (GO) placed on Cu via an electrophoretic deposition (EPD)… read more here.
Keywords: graphene oxide; electronic structure; copper; atomic electronic ... See more keywords
Reconstructions in Atomic and Electronic Structures at Gold-Oxide Interfaces
Sign Up to like & getrecommendations! Published in 2019 at "Microscopy and Microanalysis"
DOI: 10.1017/s1431927619011760
Abstract: The interaction between gold and oxides plays an important role in developing advanced materials for catalytic, photonic, and microelectronic applications. For example, Au/TiO2 [1] and Au/MgAl2O4 [2] show excellent catalytic activity and Au/CeO2 [3] has… read more here.
Keywords: electronic structures; atomic electronic; gold oxide; structures gold ... See more keywords
Atomic and Electronic Structure of Black Arsenic and Ambient Stability Studied by Analytical STEM
Sign Up to like & getrecommendations! Published in 2020 at "Microscopy and Microanalysis"
DOI: 10.1017/s1431927620016050
Abstract: anisotropic materials properties to the thickness-dependent electronic structures. 3-6 To better understand the new material and maximize its utility, fundamental structural and electronic characterization is essential. Here, analytical STEM is utilized to explore the nature… read more here.
Keywords: atomic electronic; stem; black arsenic; analytical stem ... See more keywords
Atomic and electronic basis for the serrations of refractory high-entropy alloys
Sign Up to like & getrecommendations! Published in 2017 at "npj Computational Materials"
DOI: 10.1038/s41524-017-0024-0
Abstract: Refractory high-entropy alloys present attractive mechanical properties, i.e., high yield strength and fracture toughness, making them potential candidates for structural applications. Understandings of atomic and electronic interactions are important to reveal the origins for the… read more here.
Keywords: entropy; entropy alloys; refractory high; electronic basis ... See more keywords
Atomic and electronic reconstruction at the van der Waals interface in twisted bilayer graphene
Sign Up to like & getrecommendations! Published in 2019 at "Nature Materials"
DOI: 10.1038/s41563-019-0346-z
Abstract: Control of the interlayer twist angle in two-dimensional van der Waals (vdW) heterostructures enables one to engineer a quasiperiodic moiré superlattice of tunable length scale1–8. In twisted bilayer graphene, the simple moiré superlattice band description… read more here.
Keywords: reconstruction; van der; bilayer graphene; atomic electronic ... See more keywords
Atomic and electronic structures of p-type dopants in 4H-SiC
Sign Up to like & getrecommendations! Published in 2021 at "Chinese Physics B"
DOI: 10.1088/1674-1056/ac1e22
Abstract: Using hybrid density functional calculation, we study the atomic and electronic structures of p-type dopants, B, Al and Ga, in 4H-SiC. For B, depending on the growth condition, it can occupy both Si and C… read more here.
Keywords: type dopants; electronic structures; dopant; atomic electronic ... See more keywords
Investigation of the atomic and electronic structures of highly ordered two-dimensional germanium on Au(111)
Sign Up to like & getrecommendations! Published in 2017 at "Physical Review Materials"
DOI: 10.1103/physrevmaterials.1.074002
Abstract: Low-energy electron diffraction (LEED), scanning tunneling microscopy (STM), and photoelectron spectroscopy have been used to study an ordered structure formed by Ge atoms deposited onto the Au(111 ... read more here.
Keywords: electronic structures; investigation atomic; ordered two; atomic electronic ... See more keywords