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Z topology and superconductivity from symmetry lowering of a 3D Dirac Metal AuPb
Leslie M. Schoop, Lilia S. Xie, Ru Chen +12
3D Dirac semi-metals (DSMs) are materials that have massless Dirac electrons and exhibit exotic physical properties It has been suggested that structurally distorting a DSM can cre…
Adsorption-Induced Solvent-Based Electrostatic Gating of Charge Transport through Molecular Junctions
Michele Kotiuga, Pierre Darancet, Carlos R. Arroyo +2
Recent experiments have shown that transport properties of molecular-scale devices can be reversibly altered by the surrounding solvent. Here, we use a combination of first-princip…
Ytterbium-driven strong enhancement of electron-phonon coupling in graphene
Choongyu Hwang, Duck Young Kim, D. A. Siegel +7
We present high-resolution angle-resolved photoemission spectroscopy study in conjunction with first principles calculations to investigate how the interaction of electrons with ph…
Effects of self-consistency and plasmon-pole models on GW calculations for closed-shell molecules
Johannes Lischner, Sahar Sharifzadeh, Jack Deslippe +2
We present theoretical calculations of quasiparticle energies in closed-shell molecules using the GW method. We compare three different approaches: a full-frequency (FF-$G…
Energy-dependent resonance broadening in symmetric and asymmetric molecular junctions from an ab initio non-equilibrium Green's function approach
Zhenfei Liu, Jeffrey B. Neaton
The electronic structure of organic-inorganic interfaces often feature resonances originating from discrete molecular orbitals coupled to continuum lead states. An example are mole…
Elastic Properties of Chemical-Vapor-Deposited Monolayer MoS2, WS2, and Their Bilayer Heterostructures
Kai Liu, Qimin Yan, Michelle Chen +10
Elastic properties of materials are an important factor in their integration in applications. Chemical vapor deposited (CVD) monolayer semiconductors are proposed as key components…