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Ultra-Narrow TaS2 Nanoribbons
Jeffrey D. Cain, Sehoon Oh, Amin Azizi +6
Imposing additional confinement in two-dimensional (2D) materials can yield further control over the associated electronic, optical, and topological properties. However, synthesis…
Anomalous behavior in high-pressure carbonaceous sulfur hydride
Mehmet Dogan, Marvin L. Cohen
A new experimental study by Snider et al. [Nature 586, 373-377 (2020)] reported behavior in a high-pressure carbon-sulfur-hydrogen system that has been interpreted by the authors a…
Stabilization of NbTe3, VTe3, and TiTe3 via Nanotube Encapsulation
Scott Stonemeyer, Jeffrey D. Cain, Sehoon Oh +7
The structure of MX3 transition metal trichalcogenides (TMTs, with M a transition metal and X a chalcogen) is typified by one-dimensional (1D) chains weakly bound together via van…
Magnetic Multilayer Edges in Bernal-Stacked Hexagonal Boron Nitride
Mehmet Dogan, Marvin L. Cohen
Single-layer -BN is known to have edges with unique magnetism, however, in the commonly fabricated multilayer --BN, edge relaxations occur that…
Observed Metallization of Hydrogen Interpreted as a Band Structure Effect
Mehmet Dogan, Sehoon Oh, Marvin L. Cohen
A recent experimental study of the metallization of hydrogen tracked the direct band gap and vibron frequency via infrared measurements up to ~425 GPa [P. Loubeyre et al., Nature 5…
Comparison of GW band structure to semi-empirical approach for an FeSe monolayer
Diana Y. Qiu, Sinisa Coh, Marvin L. Cohen +1
We present the GW band structure, core levels, and deformation potential of monolayer FeSe in the paramagnetic phase based on a starting mean field of the Kohn Sham density…