Intrinsic breakdown strength: theoretical derivation and first-principles calculations
Fuente:
arXiv
Saved in:
| Main Authors: | Liu, Shixu, Xiang, Hongjun, Gong, Xin-Gao, Yang, Ji-Hui |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Intrinsic and extrinsic anomalous transport properties in noncollinear antiferromagnetic Mn$_3$Sn from first-principle calculations
by: Yang, Xiuxian, et al.
Published: (2023)
by: Yang, Xiuxian, et al.
Published: (2023)
Machine learning Hamiltonian enables scalable and accurate defect calculations: The case of oxygen vacancies in amorphous SiO$_2$
by: Dai, Zhenxing, et al.
Published: (2026)
by: Dai, Zhenxing, et al.
Published: (2026)
Planar penta-transition metal phosphide and arsenide as narrow-bandgap semiconductors from first principle calculations
by: Yuan, Jun-Hui, et al.
Published: (2018)
by: Yuan, Jun-Hui, et al.
Published: (2018)
Thermodynamic modeling of binaries in Cr-Fe-Mo-Nb-Ni supported by first-principles calculations
by: Sun, Hui, et al.
Published: (2025)
by: Sun, Hui, et al.
Published: (2025)
Overestimation of melting temperatures calculated by first-principles molecular dynamics simulations
by: Shirai, Koun, et al.
Published: (2024)
by: Shirai, Koun, et al.
Published: (2024)
EPW-VASP interface for first-principles calculations of electron-phonon interactions
by: Radevych, Danylo, et al.
Published: (2025)
by: Radevych, Danylo, et al.
Published: (2025)
Efficient method for calculating magnon-phonon coupling from first principles
by: Fang, Wuzhang, et al.
Published: (2025)
by: Fang, Wuzhang, et al.
Published: (2025)
Linear Scaling Calculation of Atomic Forces and Energies with Machine Learning Local Density Matrix
by: Xin, Zaizhou, et al.
Published: (2025)
by: Xin, Zaizhou, et al.
Published: (2025)
Interlayer and interfacial Dzyaloshinskii-Moriya interaction in magnetic trilayers: first-principles calculations
by: Matthies, Tim, et al.
Published: (2024)
by: Matthies, Tim, et al.
Published: (2024)
Accelerating first-principles molecular-dynamics thermal conductivity calculations for complex systems
by: Wieser, Sandro, et al.
Published: (2025)
by: Wieser, Sandro, et al.
Published: (2025)
Theory of excitonic polarons: From models to first-principles calculations
by: Dai, Zhenbang, et al.
Published: (2024)
by: Dai, Zhenbang, et al.
Published: (2024)
Revisiting thermodynamics in (LiF, NaF, KF, CrF2)-CrF3 by first-principles calculations and CALPHAD modeling
by: Gong, Rushi, et al.
Published: (2024)
by: Gong, Rushi, et al.
Published: (2024)
Fractional Quantum Multiferroics from Coupling of Fractional Quantum Ferroelectricity and Altermagnetism
by: Dong, M. Q., et al.
Published: (2025)
by: Dong, M. Q., et al.
Published: (2025)
Surface phase diagram of CsSnI$_3$ from first-principles calculations
by: Li, Kejia, et al.
Published: (2024)
by: Li, Kejia, et al.
Published: (2024)
Electric polarization driven by non-collinear spin alignment investigated by first principles calculations
by: Mankovsky, Sergiy, et al.
Published: (2025)
by: Mankovsky, Sergiy, et al.
Published: (2025)
Efficient E(3)-equivariant framework for universal charge density prediction
by: Li, Xiwen, et al.
Published: (2025)
by: Li, Xiwen, et al.
Published: (2025)
Wenzhou TE: a first-principles calculated thermoelectric materials database
by: Fang, Ying, et al.
Published: (2024)
by: Fang, Ying, et al.
Published: (2024)
Physical properties and first-principles calculations of an altermagnet candidate Cs$_{1-δ}$V$_2$Te$_2$O
by: Liu, Chang-Chao, et al.
Published: (2025)
by: Liu, Chang-Chao, et al.
Published: (2025)
Chiral phonons in sixfold chiral CrSi$_2$: Raman spectroscopy and first-principles calculations
by: Kusuno, Gakuto, et al.
Published: (2026)
by: Kusuno, Gakuto, et al.
Published: (2026)
Temperature-dependent thermodynamic properties of CrNbO4 and CrTaO4 by first-principles calculations
by: Lin, Shuang, et al.
Published: (2024)
by: Lin, Shuang, et al.
Published: (2024)
A Universal Spin-Orbit-Coupled Hamiltonian Model for Accelerated Quantum Material Discovery
by: Zhong, Yang, et al.
Published: (2025)
by: Zhong, Yang, et al.
Published: (2025)
Phase transitions in KNbO3: symmetry analysis and first principles calculations
by: Evarestov, R. A., et al.
Published: (2024)
by: Evarestov, R. A., et al.
Published: (2024)
Complex field-, temperature-, and angle-dependent Hall effects from intrinsic Fermi surface revealed by first-principles calculations
by: Zhang, ShengNan, et al.
Published: (2024)
by: Zhang, ShengNan, et al.
Published: (2024)
Recent Advances in Unconventional Ferroelectrics and Multiferroics
by: Yu, Hongyu, et al.
Published: (2025)
by: Yu, Hongyu, et al.
Published: (2025)
Investigation of ideal shear strength of dilute binary and ternary Ni-based alloys using first-principles calculations, CALPHAD modeling and correlation analysis
by: Lin, Shuang, et al.
Published: (2024)
by: Lin, Shuang, et al.
Published: (2024)
Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations
by: Ohnishi, Masato, et al.
Published: (2025)
by: Ohnishi, Masato, et al.
Published: (2025)
Systematic comparison of approximations and functionals in first-principle calculations of aluminum-based III-V ferroelectric nitrides
by: Tejerina, Alejandro Mercado, et al.
Published: (2026)
by: Tejerina, Alejandro Mercado, et al.
Published: (2026)
Momentum- and frequency-resolved collective electronic excitations in solids: insights from spectroscopy and first-principles calculations
by: Leon, Dario A., et al.
Published: (2026)
by: Leon, Dario A., et al.
Published: (2026)
Electro-optic properties from ab initio calculations in two-dimensional materials
by: Jiang, Zhijun, et al.
Published: (2024)
by: Jiang, Zhijun, 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)
Stability of correlated insulating states in molecular conductors from first-principles calculation
by: Tsumuraya, Takao, et al.
Published: (2024)
by: Tsumuraya, Takao, et al.
Published: (2024)
Orbital Hall effect in transition metals from first-principles scattering calculations
by: Rang, Max, et al.
Published: (2024)
by: Rang, Max, et al.
Published: (2024)
Intrinsic structure of relaxor ferroelectrics from first principles
by: Xu, Xinyu, et al.
Published: (2025)
by: Xu, Xinyu, et al.
Published: (2025)
Study of the structural and electronic properties of semimetallic InBi: first-principles calculation of compound with peculiarities of the electronic structure
by: Pozhyvatenko, V. V.
Published: (2024)
by: Pozhyvatenko, V. V.
Published: (2024)
Determination of crystal structure and physical properties of Ru2Al5 intermetallic from first-principles calculations
by: Luo, Jing, et al.
Published: (2024)
by: Luo, Jing, et al.
Published: (2024)
Black brookite rich in oxygen vacancies as an active photocatalyst for CO2 conversion: experiments and first-principles calculations
by: Katai, Masae, et al.
Published: (2024)
by: Katai, Masae, et al.
Published: (2024)
Account of the self-interaction energy correction in the first principles calculation of the fundamental absorption edge spectrum of LiCl
by: Bunin, M. A., et al.
Published: (2025)
by: Bunin, M. A., et al.
Published: (2025)
Fully characterized linear magnetoelectric response of 2D monolayers from high-throughput first-principles calculations
by: Mangeri, John, et al.
Published: (2025)
by: Mangeri, John, et al.
Published: (2025)
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)
A first-principles theoretical study on two-dimensional MX and MX$_2$ metal halides: bandgap engineering, magnetism, and catalytic descriptors
by: Lin, Yu-Hsiu, et al.
Published: (2025)
by: Lin, Yu-Hsiu, et al.
Published: (2025)
Similar Items
-
Intrinsic and extrinsic anomalous transport properties in noncollinear antiferromagnetic Mn$_3$Sn from first-principle calculations
by: Yang, Xiuxian, et al.
Published: (2023) -
Machine learning Hamiltonian enables scalable and accurate defect calculations: The case of oxygen vacancies in amorphous SiO$_2$
by: Dai, Zhenxing, et al.
Published: (2026) -
Planar penta-transition metal phosphide and arsenide as narrow-bandgap semiconductors from first principle calculations
by: Yuan, Jun-Hui, et al.
Published: (2018) -
Thermodynamic modeling of binaries in Cr-Fe-Mo-Nb-Ni supported by first-principles calculations
by: Sun, Hui, et al.
Published: (2025) -
Overestimation of melting temperatures calculated by first-principles molecular dynamics simulations
by: Shirai, Koun, et al.
Published: (2024)