Electronic, optical, and thermodynamic properties of a quantum spin liquid candidate NaRuO2: Ab-initio investigation
Quantum spin liquids (QSLs), known for their competing interactions that prevent
conventional ordering, exhibit emergent phenomena and exotic properties resulting from …
conventional ordering, exhibit emergent phenomena and exotic properties resulting from …
Guidelines for accurate and efficient calculations of mobilities in two-dimensional semiconductors
Emerging two-dimensional (2D) materials bring unprecedented opportunities for electronic
applications. The design of high-performance devices requires an accurate prediction of …
applications. The design of high-performance devices requires an accurate prediction of …
Structural and electronic properties of hexagonal MXH (M= C, Si, Ge and Sn; X= N, P, As and Sb) monolayers: A first-principles prediction
In this work, a novel structure based on hydrogenation of group-IV and V has been
proposed. The hydrogen atom bonds to either of two elements at buckled hexagonal IV–V …
proposed. The hydrogen atom bonds to either of two elements at buckled hexagonal IV–V …
Strain engineering of electronic and spin properties in SnX (X= P, As, Sb, Bi) monolayers
In this study, the electronic and spin properties of SnX (X= P, As, Sb, Bi) monolayers under
biaxial strain were investigated using density functional theory. The electronic and spin …
biaxial strain were investigated using density functional theory. The electronic and spin …
First-principles predictions of enhanced thermoelectric properties for Cs2SnI2Cl2 and Cs2PbI2Cl2 monolayers with spin–orbit coupling
J Fei, X Zhang, J Li, M Li, M Long - Journal of Physics …, 2023 - iopscience.iop.org
Inspired by the exceptional charge transport properties and ultra-low thermal conductivity of
halide perovskite, we investigate the electronic nature, thermal transport, and thermoelectric …
halide perovskite, we investigate the electronic nature, thermal transport, and thermoelectric …
Highly anisotropic optical, electronic and magnetic properties of the Kitaev spin liquid candidate α-RuCl3
Abstract α-RuCl 3 constitutes a fascinating system that exhibits intriguing Kitaev physics. In
this study, we investigate the electronic, optical, and magnetic properties of the Kitaev spin …
this study, we investigate the electronic, optical, and magnetic properties of the Kitaev spin …
Electronic properties of single vacancy defect in boron nitride nanoribbons with edge perturbation
Two-dimensional material hexagonal boron nitride (h-BN), and its one-dimensional thin
strips, boron nitride nanoribbons (BNNRs) are electrically insulating with high thermal …
strips, boron nitride nanoribbons (BNNRs) are electrically insulating with high thermal …
Electronic and optical properties of alkaline earth halides MX2 (M= group-II; X= group-VII) from monolayers to bulk: Anti-reflecting applications
In this work, the structural, electrical, and optical properties of alkaline earth halide
monolayers with MX 2 (M= alkaline earth metals; X= halogens) monolayers are studied. The …
monolayers with MX 2 (M= alkaline earth metals; X= halogens) monolayers are studied. The …
Effect of electric field on two-dimensional honeycomb structures from group (III–V)
The last few decades have seen an immense development of interest in two-dimensional
materials, which can be integrated in either mono-, bi-, tri-or tetra-layer form. The tuning of …
materials, which can be integrated in either mono-, bi-, tri-or tetra-layer form. The tuning of …
The structural, mechanical, electronic, and optical properties of monolayer and bilayer ABC3 (A Ga, In; B Si, Ge; CS, Se, Te)
This paper studies the structural, mechanical, optical, and electronic characteristics of
monolayer and bilayer ABC 3 (Adouble bondGa, In; Bdouble bondSi, Ge; Cdouble bondS …
monolayer and bilayer ABC 3 (Adouble bondGa, In; Bdouble bondSi, Ge; Cdouble bondS …