:: Library Catalog

Buchumschlag

Gespeichert in:

Bibliographische Detailangaben
Hauptverfasser:	Cai, Haifang, Duan, Zhiwen, Galvao, Douglas S., Cai, Kun
Format:	Preprint
Veröffentlicht:	2024
Schlagworte:	Materials Science
Online-Zugang:	https://arxiv.org/abs/2409.07329
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Ähnliche Einträge

Magnetic properties and structural phase transition in ultrathin fcc Fe (111) and bcc Fe (111) films: first-principles study
von: Meixner, Jakub, et al.
Veröffentlicht: (2023)

First-principle investigation of the electronic structure and optical properties of graphene/boron nitride lateral heterostructures
von: Richaud, Elisa Serrano, et al.
Veröffentlicht: (2025)

Geometry, electronic structure, and optical properties of boron cages: A first-principles DFT study
von: Chavan, Kashinath T., et al.
Veröffentlicht: (2025)

A first-principles study of structural, elastic, electronic, and transport properties of Cs2Te
von: Wang, Gaoxue, et al.
Veröffentlicht: (2024)

First-principles studies of Schottky barriers and tunneling properties at Al(111)/Si(111) and CoSi$_2$(111)/Si(111) interfaces
von: Nangoi, J. K., et al.
Veröffentlicht: (2024)

Intrinsic structure of relaxor ferroelectrics from first principles
von: Xu, Xinyu, et al.
Veröffentlicht: (2025)

Orthorhombic metal carbide-borides MeC$_2$B$_{12}$ (Me=Mg, Ca, Sr) from first principles: structure, stability and mechanical properties
von: Bystrenko, Oleksiy, et al.
Veröffentlicht: (2024)

First-principles study of structural, electronic and magnetic properties at the \ce{(0001)Cr2O3-(111)Pt} interface
von: Reher, Marlies, et al.
Veröffentlicht: (2024)

Determination of crystal structure and physical properties of Ru2Al5 intermetallic from first-principles calculations
von: Luo, Jing, et al.
Veröffentlicht: (2024)

A first-principles investigation of the diffusivities of oxygen and oxygen defects in ThO$_2$
von: Singh, Maniesha, et al.
Veröffentlicht: (2025)

A first-principles investigation of altermagnetism in CrSb2 under applied pressure
von: Tamang, R., et al.
Veröffentlicht: (2025)

The local structure, electronic and optical properties of Pb(Mg$_{1/3}$Nb$_{2/3}$)O$_3$-PbTiO$_3$: first-principles study
von: Kovalenko, M., et al.
Veröffentlicht: (2024)

Stretch-induced tunability of electrical transport properties of three-dimensional graphene-based foam structures
von: Guo, Shu-Ting, et al.
Veröffentlicht: (2024)

Exciton-defect interaction and optical properties from a first-principles T-matrix approach
von: Chan, Yang-hao, et al.
Veröffentlicht: (2025)

Electronic structure of molybdenene from first principles
von: Shekaari, Ashkan, et al.
Veröffentlicht: (2024)

VO2 films grown on TiO2 sub-layer: influence of thickness on structural, electrical and optical properties
von: Kutepov, M. E., et al.
Veröffentlicht: (2024)

Emergence of electric-field-tunable interfacial ferromagnetism in 2D antiferromagnet heterostructures
von: Cheng, Guanghui, et al.
Veröffentlicht: (2022)

Twisted bilayer graphene from first-principles: structural and electronic properties
von: Zhu, Albert, et al.
Veröffentlicht: (2026)

Study of the structural and electronic properties of semimetallic InBi: first-principles calculation of compound with peculiarities of the electronic structure
von: Pozhyvatenko, V. V.
Veröffentlicht: (2024)

Exploring the structural, electronic, magnetic, and magneto-optical properties of double perovskites $\text{Ca}_2\text{TMIrO}_6$ (TM=Fe, Co) through first principles study
von: Touaibia, I., et al.
Veröffentlicht: (2024)

Lattice dynamics of quasi-2D perovskites from first-principles
von: Chen, Emily Y., et al.
Veröffentlicht: (2024)

Crystal facet orientation and temperature dependence of charge and spin Hall effects in noncollinear antiferromagnet: A first-principles investigation
von: Zhu, Meng, et al.
Veröffentlicht: (2024)

Tunable direct bandgap and optical response in \ch{Mo_{1-x}W_xS2} monolayer alloys: A first-principles investigation
von: Amassa, Kevin Ndang, et al.
Veröffentlicht: (2025)

Revisiting the configurations of hydrogen impurities in SrTiO3: Insights from first-principles local vibration mode calculations
von: Zenghua, Cai, et al.
Veröffentlicht: (2025)

Searching for magnetically hard monoborides (and finding a few): A first-principles investigation
von: Snarski-Adamski, Justyn, et al.
Veröffentlicht: (2024)

Mechanical properties of B12-based orthorhombic metal carboborides. A first principle study
von: Bystrenko, Oleksiy, et al.
Veröffentlicht: (2025)

All-electrical switching of spin texture in a strain-tunable 2D Janus ferroelectric altermagnet
von: Yao, Tao, et al.
Veröffentlicht: (2026)

Modifying electronic and structural properties of 2D van der Waals materials via cavity quantum vacuum fluctuations: A first-principles QEDFT study
von: Liu, Hang, et al.
Veröffentlicht: (2025)

Unveiling the structural, chemical state, and optical band-gap evolution of Ta-doped epitaxial SrTiO3 thin films using first-principles calculations and spectroscopic ellipsometry
von: Kumar, Shammi, et al.
Veröffentlicht: (2024)

Precise quantum-geometric electronic properties from first principles
von: Martins, José Luís, et al.
Veröffentlicht: (2025)

Three-dimensional deformations in single-layer $α$ antimonene and interaction with a Au(111) surface from first principles
von: Castro, José de Jesús Villalobos, et al.
Veröffentlicht: (2025)

Mechanical properties of AlMgB14-related boron carbide structures. A first principle study
von: Bystrenko, Oleksiy, et al.
Veröffentlicht: (2022)

Chiral magnon splitting in altermagnetic CrSb from first principles
von: Zhang, Yi-Fan, et al.
Veröffentlicht: (2025)

Cooperative CO$_2$ capture via oxalate formation on metal-decorated graphene
von: Popoola, Inioluwa Christianah, et al.
Veröffentlicht: (2024)

Structural, electronic, vibrational, optical, piezoelectric, thermal and thermoelectric properties of BCZT from first-principles calculations
von: Pradhan, Debidutta, et al.
Veröffentlicht: (2025)

Electric polarization driven by non-collinear spin alignment investigated by first principles calculations
von: Mankovsky, Sergiy, et al.
Veröffentlicht: (2025)

Structural and electronic properties of bulk Li$_{2}$O$_{2}$: first-principles simulations based on numerical atomic orbitals
von: Masanja, Paul M., et al.
Veröffentlicht: (2024)

Comparative analysis of structural, elastic, electronic, phonon, thermal and optical properties of two $\text{Na}_6\text{Ge}_2\text{Se}_6$ phases from first principles calculations
von: Zhang, Qi, et al.
Veröffentlicht: (2024)

Bulk-like structural, magnetic and optical properties of (111)- and (001)-NiO thin films
von: Kaur, S., et al.
Veröffentlicht: (2024)

Electronic and structural properties of Rh- and Pd-based kagome layered shandites from first principles
von: Buiarelli, Luca, et al.
Veröffentlicht: (2025)