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9 papers
Spatial separation of spin currents in transition metal dichalcogenides
Antonio L. R. Manesco, Artem Pulkin
We theoretically predict spatial separation of spin-polarized ballistic currents in transition metal dichalcogenides (TMDs) due to trigonal warping. We quantify the effect in terms…
Recent developments in the PySCF program package
Qiming Sun, Xing Zhang, Samragni Banerjee +46
PYSCF is a Python-based general-purpose electronic structure platform that both supports first-principles simulations of molecules and solids, as well as accelerates the developmen…
First principles coupled cluster theory of the electronic spectrum of the transition metal dichalcogenides
Artem Pulkin, Garnet Kin-Lic Chan
The electronic properties of two-dimensional transition metal dichalcogenides (2D TMDs) have attracted much attention during the last decade. We show how a diagrammatic ab initio c…
Controlling the quantum spin Hall edge states in two-dimensional transition metal dichalcogenides
Artem Pulkin, Oleg V. Yazyev
Two-dimensional transition metal dichalcogenides (TMDs) of Mo and W in their 1T' crystalline phase host the quantum spin Hall (QSH) insulator phase. We address the electronic prope…
Identifying substitutional oxygen as a prolific point defect in monolayer transition metal dichalcogenides with experiment and theory
Sara Barja, Sivan Refaely-Abramson, Bruno Schuler +17
Chalcogen vacancies are considered to be the most abundant point defects in two-dimensional (2D) transition-metal dichalcogenide (TMD) semiconductors, and predicted to result in de…
Observation of Topologically Protected States at Crystalline Phase Boundaries in Single-layer WSe2
Miguel M. Ugeda, Artem Pulkin, Shujie Tang +12
Transition metal dichalcogenide (TMD) materials are unique in the wide variety of structural and electronic phases they exhibit in the two-dimensional (2D) single-layer limit. Here…
Spin- and valley-polarized transport across line defects in monolayer MoS2
Artem Pulkin, Oleg V. Yazyev
We address the ballistic transmission of charge carriers across ordered line defects in monolayer transition metal dichalcogenides. Our study reveals the presence of a transport ga…
Strong out-of-plane magnetic anisotropy of Fe adatoms on BiTe
T. Eelbo, M. Waśniowska, M. Sikora +7
The electronic and magnetic properties of individual Fe atoms adsorbed on the surface of the topological insulator BiTe(111) are investigated. Scanning tunneling microscopy…
Spintromechanics of a Magnetic Nanoshuttle
Robert I. Shekhter, Artem Pulkin, Mats Jonson
We investigate theoretically the prospects for using a magnetic nanoelectromechanical single-electron tunneling (NEM-SET) device as an electronic spin filter. We find that strong m…