Saved in:
| Main Authors: | Boucher, Coulton, Zhitomirsky, Igor, Rubel, Oleg |
|---|---|
| Format: | Preprint |
| Published: |
2023
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2307.15845 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Application of Cyrene solvent for the fabrication of polymethyl methacrylate, polyethyl methacrylate and composite films containing hydroxyapatite and diamonds
by: ZhengZheng Wang, et al.
Published: (2024)
by: ZhengZheng Wang, et al.
Published: (2024)
Iron-Arsenide monolayer as an anode materials for Lithium-ion batteries: A first-principles study
by: Kumar, Ajay, et al.
Published: (2025)
by: Kumar, Ajay, et al.
Published: (2025)
Defect tolerance of lead-halide perovskite (100) surface relative to bulk: band bending, surface states, and characteristics of vacancies
by: Rubel, Oleg, et al.
Published: (2023)
by: Rubel, Oleg, et al.
Published: (2023)
Unveiling the potential of BCN-Biphenylene monolayer as a high-performance anode material for alkali metal ion batteries: A first-principles study
by: Parida, Ajay Kumar Prakash
Published: (2023)
by: Parida, Ajay Kumar Prakash
Published: (2023)
A first-principles study of bcc chromium beyond the generalized gradient approximation (GGA)
by: Partos, Alma, et al.
Published: (2026)
by: Partos, Alma, et al.
Published: (2026)
Ge-based Clinopyroxene series: first principles and experimental local probe study
by: Moreira, Ricardo P., et al.
Published: (2024)
by: Moreira, Ricardo P., et al.
Published: (2024)
Perpendicular magnetic anisotropy in Au/FeCo/Au ultrathin films: Combined experimental and first-principles study
by: Snarski-Adamski, Justyn, et al.
Published: (2025)
by: Snarski-Adamski, Justyn, et al.
Published: (2025)
Point-defect engineering of MoN/TaN superlattice films: A first-principles and experimental study
by: Koutná, Nikola, et al.
Published: (2019)
by: Koutná, Nikola, et al.
Published: (2019)
Computational discovery of cathode materials for rechargeable aqueous zinc-ion batteries
by: Miliante, Caio Miranda, et al.
Published: (2026)
by: Miliante, Caio Miranda, et al.
Published: (2026)
Quantum-classical correspondence for spins at finite temperatures with application to Monte Carlo simulations
by: Mendili, A. El, et al.
Published: (2026)
by: Mendili, A. El, et al.
Published: (2026)
Polaron transport and Verwey transition in magnetite
by: Fominykh, Nikita, et al.
Published: (2026)
by: Fominykh, Nikita, et al.
Published: (2026)
Efficiency of band edge optical transitions of 2D monolayer materials: A high-throughput computational study
by: Gómez-Bastidas, A. F., et al.
Published: (2024)
by: Gómez-Bastidas, A. F., et al.
Published: (2024)
Magnetic properties of nitrogen doped diamond: A first principles study
by: Luitel, Homnath
Published: (2025)
by: Luitel, Homnath
Published: (2025)
Trimeron ordering, bandgap and polaron hopping in magnetite
by: Fominykh, Nikita, et al.
Published: (2024)
by: Fominykh, Nikita, et al.
Published: (2024)
Defect-induced spin textures in magnetic solids
by: Zhitomirsky, M. E., et al.
Published: (2024)
by: Zhitomirsky, M. E., et al.
Published: (2024)
HOP-graphene: A high-capacity anode for Li/Na-ion batteries unveiled by first-principles calculations
by: Martins, Nicolas F., et al.
Published: (2025)
by: Martins, Nicolas F., et al.
Published: (2025)
Tribo-piezoelectric Nanogenerators for Energy Harvesting: a first-principles study
by: Damte, Jemal Yimer, et al.
Published: (2024)
by: Damte, Jemal Yimer, et al.
Published: (2024)
Robustness of Floquet topological phase at room temperature: a first-principles dynamics study
by: Zhou, Ruiyi, et al.
Published: (2025)
by: Zhou, Ruiyi, et al.
Published: (2025)
Valleytronics and negative differential resistance in cubic boron nitride: a first-principles study
by: Hatanpää, Benjamin, et al.
Published: (2024)
by: Hatanpää, Benjamin, et al.
Published: (2024)
Effect of Fe-doping on VS2 monolayer: A first-principles study
by: Jafari, Mirali, et al.
Published: (2024)
by: Jafari, Mirali, et al.
Published: (2024)
Exciton thermalization dynamics in monolayer MoS2: a first-principles Boltzmann equation study
by: Chan, Yang-hao, et al.
Published: (2024)
by: Chan, Yang-hao, et al.
Published: (2024)
Revisiting first-principles thermodynamics by quasiharmonic approach: Application to study thermal expansion of additively-manufactured Inconel 625
by: Shang, Shun-Li, et al.
Published: (2024)
by: Shang, Shun-Li, et al.
Published: (2024)
Enhanced room temperature ferromagnetism in nanostructured MoS2 flakes by hydrogen post-treatment: Combined experimental and first-principles-based studies
by: Dey, Sharmistha, et al.
Published: (2024)
by: Dey, Sharmistha, et al.
Published: (2024)
Thermodynamic properties of fcc lead: A scalar and fully relativistic first principle study
by: Thakur, Balaram, et al.
Published: (2025)
by: Thakur, Balaram, et al.
Published: (2025)
Structural and magnetic properties of Fe-Co-C alloys with tetragonal deformation: a first-principle study
by: Marciniak, Wojciech, et al.
Published: (2023)
by: Marciniak, Wojciech, et al.
Published: (2023)
Multiferroic kinks and spin-flop transition in Ni$_{2}$InSbO$_6$ from first principles
by: Ono, Ryota, et al.
Published: (2023)
by: Ono, Ryota, et al.
Published: (2023)
Magnon-phonon interactions from first principles
by: Le, Khoa B., et al.
Published: (2025)
by: Le, Khoa B., et al.
Published: (2025)
Electronic structure of molybdenene from first principles
by: Shekaari, Ashkan, et al.
Published: (2024)
by: Shekaari, Ashkan, et al.
Published: (2024)
A first-principles study of structural, elastic, electronic, and transport properties of Cs2Te
by: Wang, Gaoxue, et al.
Published: (2024)
by: Wang, Gaoxue, et al.
Published: (2024)
Photo-induced electronic excitations drive polymerization of carbon monoxide: A first-principles study
by: Ahmad, Rasool, et al.
Published: (2025)
by: Ahmad, Rasool, et al.
Published: (2025)
Mechanical properties of B12-based orthorhombic metal carboborides. A first principle study
by: Bystrenko, Oleksiy, et al.
Published: (2025)
by: Bystrenko, Oleksiy, et al.
Published: (2025)
Solute strengthening and softening from screw dislocation in BCC tantalum: A first-principles study
by: Feng, Jiajun, et al.
Published: (2024)
by: Feng, Jiajun, et al.
Published: (2024)
Structural transformation and magnetic properties of (Fe$_{0.7}$Co$_{0.3}$)$_2$B alloys doped with 5$d$ elements: A combined first-principles and experimental study
by: Musiał, A., et al.
Published: (2021)
by: Musiał, A., et al.
Published: (2021)
Correlation between magnetism and the Verwey transition in magnetite
by: Podgórska, Karolina, et al.
Published: (2025)
by: Podgórska, Karolina, et al.
Published: (2025)
A first-principles study on the early-stage corrosion of a NiWNb alloy in a chloride salt environment
by: Doležal, Tyler D., et al.
Published: (2025)
by: Doležal, Tyler D., et al.
Published: (2025)
Variational first-principles approach to self-trapped polarons
by: Vasilchenko, Vasilii, et al.
Published: (2025)
by: Vasilchenko, Vasilii, et al.
Published: (2025)
Hydrogen absorption in intermetallic compounds from first principles
by: Nadeau, Olivier, et al.
Published: (2025)
by: Nadeau, Olivier, et al.
Published: (2025)
Electron mobility in AlN from first principles
by: Wang, Amanda, et al.
Published: (2025)
by: Wang, Amanda, et al.
Published: (2025)
Approximations in first-principles volumetric thermal expansion determination
by: Rostami, Samare, et al.
Published: (2024)
by: Rostami, Samare, et al.
Published: (2024)
A first principles study of the Stark shift effect on the zero-phonon line of the NV center in diamond
by: Alaerts, Louis, et al.
Published: (2024)
by: Alaerts, Louis, et al.
Published: (2024)
Similar Items
-
Application of Cyrene solvent for the fabrication of polymethyl methacrylate, polyethyl methacrylate and composite films containing hydroxyapatite and diamonds
by: ZhengZheng Wang, et al.
Published: (2024) -
Iron-Arsenide monolayer as an anode materials for Lithium-ion batteries: A first-principles study
by: Kumar, Ajay, et al.
Published: (2025) -
Defect tolerance of lead-halide perovskite (100) surface relative to bulk: band bending, surface states, and characteristics of vacancies
by: Rubel, Oleg, et al.
Published: (2023) -
Unveiling the potential of BCN-Biphenylene monolayer as a high-performance anode material for alkali metal ion batteries: A first-principles study
by: Parida, Ajay Kumar Prakash
Published: (2023) -
A first-principles study of bcc chromium beyond the generalized gradient approximation (GGA)
by: Partos, Alma, et al.
Published: (2026)