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Superconductivity in the presence of strong electron-phonon interactions and frustrated charge order
Zi-Xiang Li, Marvin L. Cohen, Dung-Hai Lee
We study the superconductivity of strongly coupled electron-phonon systems where the geometry of the lattice frustrates the charge order by the sign-problem-free Quantum Monte Carl…
Simulating the nanomechanical response of cyclooctatetraene molecules on a graphene device
Sehoon Oh, Michael F. Crommie, Marvin L. Cohen
We investigate the atomic and electronic structures of cyclooctatetraene (COT) molecules on graphene and analyze their dependence on external gate voltage using first-principles ca…
Magnetism in amorphous carbon
Yuki Sakai, James R. Chelikowsky, Marvin L. Cohen
We investigate magnetism in amorphous carbon as suggested by the recently reported ferromagnetism in a new form of amorphous carbon. We use spin constrained first-principles simula…
Torsional instability in the single-chain limit of a transition metal trichalcogenide
Thang Pham, Sehoon Oh, Patrick Stetz +4
We report the synthesis of the quasi-one-dimensional transition metal trichalcogenide NbSe3 in the few chain limit, including the realization of isolated single chains. The chains…