Ab initio modeling of dislocation core properties in metals and semiconductors
Sign Up to like & getrecommendations! Published in 2017 at "Acta Materialia"
DOI: 10.1016/j.actamat.2016.09.049
Abstract: Abstract Dislocation cores, the regions in the immediate vicinity of dislocation lines, control a number of properties such as dislocation mobility, cross-slip and short-range interactions with other defects. The quantitative modeling of dislocation cores requires… read more here.
Keywords: modeling dislocation; dislocation cores; dislocation core; dislocation ... See more keywords
Topology and polarity of dislocation cores dictate the mechanical strength of monolayer MoS2
Sign Up to like & getrecommendations! Published in 2019 at "Applied Materials Today"
DOI: 10.1016/j.apmt.2018.12.019
Abstract: In contrast to homoelemental graphene showing common dislocation dipole with pentagon-heptagon (5|7) core, heteroelemental MoS2 is observed to contain diverse dislocation cores that tune the chemical and physical properties. Yet, how the inevitable dislocation cores… read more here.
Keywords: polarity dislocation; dislocation; dislocation cores; topology polarity ... See more keywords
Dopant Segregation Inside and Outside Dislocation Cores in Perovskite BaSnO3 and Reconstruction of the Local Atomic and Electronic Structures.
Sign Up to like & getrecommendations! Published in 2021 at "Nano letters"
DOI: 10.1021/acs.nanolett.1c00966
Abstract: Distinct dopant behaviors inside and outside dislocation cores are identified by atomic-resolution electron microscopy in perovskite BaSnO3 with considerable consequences on local atomic and electronic structures. Driven by elastic strain, when A-site designated La dopants… read more here.
Keywords: outside dislocation; inside outside; perovskite basno3; dislocation cores ... See more keywords
From Chains to Monolayers : Nanoparticle Assembly Driven by Smectic Topological Defects.
Sign Up to like & getrecommendations! Published in 2020 at "Nano letters"
DOI: 10.1021/acs.nanolett.9b04347
Abstract: In this article, we show how advanced hierarchical structures of topological defects in the so-called smectic oily streaks can be used to sequentially transfer their geometrical features to gold nanospheres. We use two kinds of… read more here.
Keywords: topological defects; monolayers nanoparticle; nanoparticle assembly; dislocation cores ... See more keywords
Absence of Off-Diagonal Long-Range Order in hcp ^{4}He Dislocation Cores.
Sign Up to like & getrecommendations! Published in 2023 at "Physical review letters"
DOI: 10.1103/physrevlett.130.016001
Abstract: The mass transport properties along dislocation cores in hcp ^{4}He are revisited by considering two types of edge dislocations as well as a screw dislocation, using a fully correlated quantum simulation approach. Specifically, we employ… read more here.
Keywords: long range; range order; dislocation; diagonal long ... See more keywords
Effects of Oxygen on Lattice Defects in Single-Crystalline Mg2Si Thermoelectrics
Sign Up to like & getrecommendations! Published in 2023 at "Nanomaterials"
DOI: 10.3390/nano13071222
Abstract: Lattice defect engineering has attracted attention due to its ability to develop thermoelectric materials with low thermal conductivity. For Mg2Si single crystals (SCs), Si vacancy (VSi) defects can be introduced and consequently result in the… read more here.
Keywords: lattice; lattice defects; mg2si; oxygen lattice ... See more keywords