Novel high symmetry super-hard C48 and C32 allotropes with ana and ukc original topologies: Crystal chemistry and DFT investigations
Fuente:
arXiv
Saved in:
| Main Author: | Matar, Samir F |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Original Ultra-hard Orthorhombic Carbon allotropes C8 with lonsdaleite-type lon topology: Crystallographic and DFT investigations
by: Matar, Samir F
Published: (2025)
by: Matar, Samir F
Published: (2025)
From layered 2D carbon to 3D tetrahedral original allotropes C12 and C18 with physical properties related to diamond: Crystal chemistry and DFT investigations
by: Matar, Samir F.
Published: (2024)
by: Matar, Samir F.
Published: (2024)
DFT investigation of novel cubic carbon allotrope, yne-C$_{16}$
by: Matar, Samir F
Published: (2024)
by: Matar, Samir F
Published: (2024)
Original mechanism of transformation from soft metallic (sp2/sp3) C12 to ultra-dense and ultra-hard (sp3) semi-conducting C12: Crystal chemistry and DFT characterizations
by: Matar, Samir F
Published: (2025)
by: Matar, Samir F
Published: (2025)
Superhard lon C5 and derived carbon nitrides: C4N and C2N2. Crystal chemistry and first principles DFT studies
by: Matar, Samir F
Published: (2024)
by: Matar, Samir F
Published: (2024)
Original orthorhombic tetrahedral and trigonal hybrid allotropes Cn with n= 8, 10, 12, 14 possessing ethene -like and propadiene -like units: Crystal chemistry and first principles
by: Matar, Samir F.
Published: (2024)
by: Matar, Samir F.
Published: (2024)
Real topological phonons in 3D carbon allotropes
by: Wang, Xiaotian, et al.
Published: (2024)
by: Wang, Xiaotian, et al.
Published: (2024)
Strain-triggered high-temperature superconducting transition in two-dimensional carbon allotrope
by: Yan, Tian, et al.
Published: (2026)
by: Yan, Tian, et al.
Published: (2026)
LLM-driven discovery for carbon allotropes with bond-network entropy
by: Hao, Yuzhou, et al.
Published: (2026)
by: Hao, Yuzhou, et al.
Published: (2026)
High mobility holes at germanane/Ge(111) allotropic cross-dimensional heterointerface
by: Katayama, Yumiko, et al.
Published: (2026)
by: Katayama, Yumiko, et al.
Published: (2026)
On energetics of allotrope transformations in transition-metal diborides via plane-by-plane shearing
by: Leiner, Thomas, et al.
Published: (2023)
by: Leiner, Thomas, et al.
Published: (2023)
An optically enhanced crystalline silicon allotrope: hydrogen passivated type II silicon clathrate
by: Liu, Yinan, et al.
Published: (2025)
by: Liu, Yinan, et al.
Published: (2025)
Evidence for topological origin of large spin-shift current in antiferromagnetic Ti$_{4}$C$_{3}$
by: Sufyan, Ali, et al.
Published: (2025)
by: Sufyan, Ali, et al.
Published: (2025)
Discovering classical spin liquids by topological search of high symmetry nets
by: Paddison, Joseph A. M., et al.
Published: (2024)
by: Paddison, Joseph A. M., et al.
Published: (2024)
Suitability of available interatomic potentials for Sn to model its 2D allotropes
by: Maździarz, Marcin
Published: (2024)
by: Maździarz, Marcin
Published: (2024)
Unraveling the significance of Raman modes, Gruneisen parameters and phonon lifetimes in the hexagonal allotropes of Silicon and Germanium compounds
by: M, Lekshmi S, et al.
Published: (2026)
by: M, Lekshmi S, et al.
Published: (2026)
Superfolded configuration induced low thermal conductivity in two-dimensional carbon allotropes revealed via machine learning force constant potential
by: Yu, Linfeng, et al.
Published: (2023)
by: Yu, Linfeng, et al.
Published: (2023)
Xenon-metal pair formation in UO2 investigated using DFT+U
by: Malakkal, Linu, et al.
Published: (2024)
by: Malakkal, Linu, et al.
Published: (2024)
Zinc blende ZnS (001) surface structure investigated by XPS,LEED and DFT
by: Oliveira, Pablo, et al.
Published: (2023)
by: Oliveira, Pablo, et al.
Published: (2023)
Unraveling the symmetry of Al5C3N
by: Shtender, Vitalii, et al.
Published: (2026)
by: Shtender, Vitalii, et al.
Published: (2026)
Disorder-driven symmetry suppression by van der Waals planar defects in a magnetic topological insulator
by: Joris, Rikkie, et al.
Published: (2026)
by: Joris, Rikkie, et al.
Published: (2026)
Searching for magnetically hard monoborides (and finding a few): A first-principles investigation
by: Snarski-Adamski, Justyn, et al.
Published: (2024)
by: Snarski-Adamski, Justyn, et al.
Published: (2024)
Gas sensing potential of stacked graphene/h-BN structures: a DFT-based investigation
by: Siebel, Martin, et al.
Published: (2026)
by: Siebel, Martin, et al.
Published: (2026)
Crystal growth and characterization of the ultra-high temperature substrate $\mathrm{Ta_{1-x}Hf_{x}C_{0.5}}$
by: Crites, Evan N., et al.
Published: (2026)
by: Crites, Evan N., et al.
Published: (2026)
Magnetic hardness of hexagonal and orthorhombic Fe$_{3}$C, Co$_{3}$C, (Fe-Co)$_{3}$C, and their alloys with boron, nitrogen, and transition metals: A first-principles study
by: Snarski-Adamski, Justyn, et al.
Published: (2024)
by: Snarski-Adamski, Justyn, et al.
Published: (2024)
Crystal Orbital Guided Iteration to Atomic Orbitals: A Pathway to Chemically Adaptive Atomic Orbitals from DFT
by: Oliphant, Emily, et al.
Published: (2025)
by: Oliphant, Emily, et al.
Published: (2025)
DFT and MLIP study of solute segregation to coherent and semi-coherent α-Fe/Fe$_3$C interfaces
by: Reiners-Sakic, Amin, et al.
Published: (2026)
by: Reiners-Sakic, Amin, et al.
Published: (2026)
Point defects in CdTe and CdTeSe alloy: a first principles investigation with DFT+U
by: Xiang, Xiaofeng, et al.
Published: (2024)
by: Xiang, Xiaofeng, et al.
Published: (2024)
New phase space of hardness materials and synergic enhancement of hardness and toughness in superconducting Ti2Co and Ti4Co2X (X = B, C, N, O)
by: Shi, Lifen, et al.
Published: (2025)
by: Shi, Lifen, et al.
Published: (2025)
Insights into Nb2C and Nb2CO2 as high-performance anodes for sodium- and lithium-ion batteries: An ab initio investigation
by: Sultana, Nishat, et al.
Published: (2025)
by: Sultana, Nishat, et al.
Published: (2025)
New investigation of the electronic and structural properties of (Mg,Ti)-doped and co-doped ZnO structures: A DFT and DFT+U study
by: Ahmedbowba, Sidi, et al.
Published: (2025)
by: Ahmedbowba, Sidi, et al.
Published: (2025)
DFT based insights into elastic, thermophysical, electronic and optical properties of topological insulators XTe5 (X = Zr, Hf)
by: Mahin, Syed Shovon Mahbub, et al.
Published: (2025)
by: Mahin, Syed Shovon Mahbub, et al.
Published: (2025)
Role of symmetry in the orientationally disordered crystals of hard convex polyhedra
by: Kundu, Sumitava, et al.
Published: (2024)
by: Kundu, Sumitava, et al.
Published: (2024)
The submonolayer assembly of C60F48 surface acceptors on the hydrogen-terminated (100) diamond surface
by: Schenk, Alex K., et al.
Published: (2024)
by: Schenk, Alex K., et al.
Published: (2024)
Coexistence of symmetry-protected topological order and Neel order in the spin-1/2 ladder antiferromagnet C9H18N2CuBr4
by: Hong, Tao, et al.
Published: (2023)
by: Hong, Tao, et al.
Published: (2023)
Classification of time-reversal symmetric topological superconducting phases for conventional pairing symmetries
by: Ono, Seishiro, et al.
Published: (2022)
by: Ono, Seishiro, et al.
Published: (2022)
Magneto-optical effects of an artificially-layered ferromagnetic topological insulator with T$_C$ of 160 K
by: Han, Xingyue, et al.
Published: (2023)
by: Han, Xingyue, et al.
Published: (2023)
Al0.68Sc0.32N/SiC based metal-ferroelectric-semiconductor capacitors operating up to 1000 °C
by: He, Yunfei, et al.
Published: (2024)
by: He, Yunfei, et al.
Published: (2024)
Controlled Spalling of Single Crystal 4H-SiC Bulk Substrates
by: Horn, Connor P, et al.
Published: (2024)
by: Horn, Connor P, et al.
Published: (2024)
Lithium and sodium decorated PHE-graphene for high capacity hydrogen storage: A DFT and GCMC study
by: Ma, Hongyan, et al.
Published: (2026)
by: Ma, Hongyan, et al.
Published: (2026)
Similar Items
-
Original Ultra-hard Orthorhombic Carbon allotropes C8 with lonsdaleite-type lon topology: Crystallographic and DFT investigations
by: Matar, Samir F
Published: (2025) -
From layered 2D carbon to 3D tetrahedral original allotropes C12 and C18 with physical properties related to diamond: Crystal chemistry and DFT investigations
by: Matar, Samir F.
Published: (2024) -
DFT investigation of novel cubic carbon allotrope, yne-C$_{16}$
by: Matar, Samir F
Published: (2024) -
Original mechanism of transformation from soft metallic (sp2/sp3) C12 to ultra-dense and ultra-hard (sp3) semi-conducting C12: Crystal chemistry and DFT characterizations
by: Matar, Samir F
Published: (2025) -
Superhard lon C5 and derived carbon nitrides: C4N and C2N2. Crystal chemistry and first principles DFT studies
by: Matar, Samir F
Published: (2024)