33 citations · 71 across the 4 of their papers we have counts for
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Quantum interpretation of classical LiF simulations
Federico Brivio, Luca Salasnich
Recent studies have shown that classical LiF simulations can reproduce low-temperature experimental spectra when performed at a simulation temperature higher than the physica…
Two-dimensional carrier gas at a polar interface without surface band gap states: A first-principles perspective
Federico Brivio, Andrew Rappe, Leeor Kronik +1
We present first-principles calculations of the interface between GaN and strained AlN, using a slab model in which polarization is compensated via surface fractional-charge pseudo…
Doping isolated one-dimensional antiferro-magnetic semiconductor Vanadium tetrasulfide () nanowires with carriers induces half-metallicity
Shuo Li, Junjie He, Petr Nachtigall +2
Quasi one-dimensional (1D) vanadium tetrasulfide () nanowires (NWs) are synthetic semiconductors which combine with each other through Van der Waals interactions to form bulk…
Control of spintronic and electronic properties of bimetallic and vacancy-ordered vanadium carbide MXenes via surface functionalization
Shuo Li, Junjie He, Petr Nachtigall +2
MXenes are 2D transition metal carbides with high potential for overcoming limitations of conventional two-dimensional electronics. In this context, various MXenes have shown magne…