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Relaxed thin film structures of one, two, and three magnetic 3d transition me...
The uploaded data set contains setups of all 6660 possible combinations of up to three atomic layers of 3d transition metals on six different FCC noble-metal substrates. The... -
Electrical characterization of multi-gated WSe2/MoS2 van der Waals heterojunc...
Transistor measurements -
Non-equilibrium nature of fracture determines the crack path
A high-fidelity neural network-based force field (NN-F³) is developed to cover the space of strain states up to material failure and the non-equilibrium, intermediate nature of... -
Non-equilibrium nature of fracture determines the crack path
A high-fidelity neural network-based force field (NN-F³) is developed to cover the space of strain states up to material failure and the non-equilibrium, intermediate nature of... -
Data publication: A New Group of Two-Dimensional Non-van der Waals Materials ...
This dataset includes the primary research data for the publication "A New Group of Two-Dimensional Non-van der Waals Materials with Ultra Low Exfoliation Energies". -
Data publication: A New Group of Two-Dimensional Non-van der Waals Materials ...
This dataset includes the primary research data for the publication "A New Group of Two-Dimensional Non-van der Waals Materials with Ultra Low Exfoliation Energies". -
Data publication: A New Group of Two-Dimensional Non-van der Waals Materials ...
This dataset includes the primary research data for the publication "A New Group of Two-Dimensional Non-van der Waals Materials with Ultra Low Exfoliation Energies". -
Data publication: Magnetic State Control of Non-van der Waals 2D Materials by...
This dataset includes the primary research data for the publication "Magnetic State Control of Non-van der Waals 2D Materials by Hydrogenation". -
Data publication: Data-Driven Quest for Two-Dimensional Non-van der Waals Mat...
This dataset includes the primary research data for the publication "Data-Driven Quest for Two-Dimensional Non-van der Waals Materials",... -
Data publication: Magnetic State Control of Non-van der Waals 2D Materials by...
This dataset includes the primary research data for the publication "Magnetic State Control of Non-van der Waals 2D Materials by Hydrogenation". -
Data publication: Magnetic State Control of Non-van der Waals 2D Materials by...
This dataset includes the primary research data for the publication "Magnetic State Control of Non-van der Waals 2D Materials by Hydrogenation". -
Data publication: Magnetic State Control of Non-van der Waals 2D Materials by...
This dataset includes the primary research data for the publication "Magnetic State Control of Non-van der Waals 2D Materials by Hydrogenation". -
On-site and inter-site Hubbard corrections in magnetic monolayers: The case o...
Hubbard-corrected density-functional theory has proven to be successful in addressing self-interaction errors in 3D magnetic materials. However, the effectiveness of this... -
Ambipolar charge transfer of larger fullerenes enabled by the modulated surfa...
A detailed understanding of how molecules interact with two-dimensional materials, particularly concerning energy level alignment and charge transfer processes, is essential to... -
A complementary screening for quantum spin Hall insulators in 2D exfoliable m...
Quantum spin Hall insulators (QSHIs) are a class of topological materials that has been extensively studied during the past decade. One of their distinctive features is the... -
The impact of valley profile on the mobility and Kerr rotation of transition m...
The transport and optical properties of semiconducting transition metal dichalcogenides around room temperature are dictated by electron-phonon scattering mechanisms within a... -
Phonon self-energy corrections: To screen, or not to screen
First-principles calculations of phonons are often based on the adiabatic approximation and on Brillouin-zone samplings that might not always be sufficient to capture the... -
Phonon self-energy corrections: To screen, or not to screen
First-principles calculations of phonons are often based on the adiabatic approximation and on Brillouin-zone samplings that might not always be sufficient to capture the... -
High-throughput calculation of interlayer van der Waals force validated with ...
Interlayer binding strength is an important property of two-dimensional (2D) materials in various occasions including exfoliation and heterostructure construction. Though there... -
Non-equilibrium nature of fracture determines the crack path
Local processes during fracture, such as the selection of crack paths and the formation of facets and kinks along the paths, are non-equilibrium and discrete in nature and...