Molecular dynamics simulations reveal that the CDW in monolayer TiSe2 melts via a two-step fluctuation regime with defects and domain walls, while anisotropic thermal fluctuations spontaneously stabilize an asymmetric 3Q chiral CDW with C2 symmetry.
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Experimental characterization of TiTe2 on Au(111) reveals a sub-monolayer (5×√3)rect superstructure with Ti substituting Au atoms, a monolayer moiré structure with expanded lattice, and further lattice expansion in five-layer films.
AiiDA-TrainsPot introduces an automated workflow for training neural-network interatomic potentials via calibrated active learning on carbon allotropes and alloy phase transitions.
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Fluctuation-driven multi-step charge density wave transition in monolayer TiSe$_2$
Molecular dynamics simulations reveal that the CDW in monolayer TiSe2 melts via a two-step fluctuation regime with defects and domain walls, while anisotropic thermal fluctuations spontaneously stabilize an asymmetric 3Q chiral CDW with C2 symmetry.
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Growth and crystallographic structure of TiTe$_2$ on Au(111): From sub-monolayer structures to single- and multi-layer films
Experimental characterization of TiTe2 on Au(111) reveals a sub-monolayer (5×√3)rect superstructure with Ti substituting Au atoms, a monolayer moiré structure with expanded lattice, and further lattice expansion in five-layer films.
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AiiDA-TrainsPot: Towards automated training of neural-network interatomic potentials
AiiDA-TrainsPot introduces an automated workflow for training neural-network interatomic potentials via calibrated active learning on carbon allotropes and alloy phase transitions.