93 citations · 165 across the 6 of their papers we have counts for
6 papers
Charge State-Dependent Symmetry Breaking of Atomic Defects in Transition Metal Dichalcogenides
Feifei Xiang, Lysander Huberich, Preston A. Vargas +11
The functionality of atomic quantum emitters is intrinsically linked to their host lattice coordination. Structural distortions that spontaneously break the lattice symmetry strong…
Machine Learning Moment Tensor Potential for Modelling Dislocation and Fracture in L1-TiAl and D0-TiAl Alloys
Ji Qi, Z. H. Aitken, Qingxiang Pei +7
Dual-phase -TiAl and -TiAl alloys exhibit high strength and creep resistance at high temperatures. However, they suffer from low tensile ductility and fracture toughn…
Controllable p-type Doping of 2D WSe2 via Vanadium Substitution
Azimkhan Kozhakhmetov, Samuel Stolz, Anne Marie Z. Tan +10
Scalable substitutional doping of two-dimensional (2D) transition metal dichalcogenides (TMDCs) is a prerequisite to developing next-generation logic and memory devices based on 2D…
Charged Vacancy Defects in Black Phosphorus Monolayer Phosphorene
Biswas Rijal, Anne Marie Z. Tan, Christoph Freysoldt +1
The two-dimensional semiconductor phosphorene has attracted extensive research interests for potential applications in optoelectronics, spintronics, catalysis, sensors, and energy…
Stability of charged sulfur vacancies in 2D and bulk MoS from plane-wave density functional theory with electrostatic corrections
Anne Marie Z. Tan, Christoph Freysoldt, Richard G. Hennig
Two-dimensional (2D) semiconducting transition metal dichalcogenides such as MoS have attracted extensive research interests for potential applications in optoelectronics, spin…
Geometries of edge and mixed dislocations in bcc Fe from first principles calculations
Michael R. Fellinger, Anne Marie Z. Tan, Louis G. Hector +1
We use DFT to compute core structures of edge, edge, edge, and mixed disloc…