33 citations · 71 across the 4 of their papers we have counts for
5 papers
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…
Synthesis, Crystal Structure, Magnetic and Electronic Properties of the Caesium-based Transition Metal Halide Cs3Fe2Br9
Fengxia Wei, Federico Brivio, Yue Wu +3
The diversity of halide materials related to important solar energy systems such as CsPbX3 (X = Cl, Br, I) is explored by introducing the transition metal element Fe. In particular…