Electronic and Magnetic Characterization of Epitaxial CrBr3 Monolayers on a Superconducting Substrate.
Sign Up to like & getrecommendations! Published in 2021 at "Advanced materials"
DOI: 10.1002/adma.202006850
Abstract: The ability to imprint a given material property to another through a proximity effect in layered 2D materials has opened the way to the creation of designer materials. Here, molecular-beam epitaxy is used for direct… read more here.
Keywords: magnetic characterization; crbr3; epitaxial crbr3; electronic magnetic ... See more keywords
Understanding Heterogeneities in Quantum Materials.
Sign Up to like & getrecommendations! Published in 2022 at "Advanced materials"
DOI: 10.1002/adma.202106909
Abstract: Quantum materials are usually heterogeneous, with structural defects, impurities, surfaces, edges, interfaces, and disorder. These heterogeneities are sometimes viewed as liabilities within conventional systems; however, their electronic and magnetic structures often define and affect the… read more here.
Keywords: new quantum; heterogeneities quantum; understanding heterogeneities; electronic magnetic ... See more keywords
Controlled Electronic and Magnetic Landscape in Self-Assembled Complex Oxide Heterostructures.
Sign Up to like & getrecommendations! Published in 2023 at "Advanced materials"
DOI: 10.1002/adma.202300200
Abstract: Complex oxide heterointerfaces contain a rich playground of novel physical properties and functionalities, which give rise to emerging technologies. Among designing and controlling the functional properties of complex oxide film heterostructures, vertically aligned nanostructure (VAN)… read more here.
Keywords: controlled electronic; film; oxide; complex oxide ... See more keywords
Evincing Structural, Electronic, and Magnetic Attributes of LaFe0.5A0.5O3 (A = Co, Cr, and Ti): DFT‐GGA Recapitulation
Sign Up to like & getrecommendations! Published in 2020 at "Crystal Research and Technology"
DOI: 10.1002/crat.202000135
Abstract: In this article, density functional theory studies are being performed on LaFe0.5A0.5O3 (A = Co, Cr, and Ti) (LFAO). The structural stability of LFAO is inspected using ground state optimization, and enthalpy of formation. The… read more here.
Keywords: 5a0 5o3; electronic magnetic; magnetic attributes; structural electronic ... See more keywords
Investigation of the Structural, Mechanical, Electronic, Magnetic, and Thermoelectric Properties of Half Heusler Alloys ZrMnX (X = As, Sb, Te): A DFT‐Based Simulation
Sign Up to like & getrecommendations! Published in 2024 at "Crystal Research and Technology"
DOI: 10.1002/crat.202300166
Abstract: This study investigates the structural, mechanical, electronic, magnetic, and thermoelectric properties of ZrMnX (X = As, Sb, Te) half Heusler alloys using spin‐polarized density functional theory (SPDFT) with WIEN2K code using full potential linearized augmented… read more here.
Keywords: structural mechanical; electronic magnetic; half heusler; mechanical electronic ... See more keywords
Ab initio study for the structural, electronic, magnetic, optical, and thermoelectric properties of K2OsX6 (X = Cl, Br) compounds
Sign Up to like & getrecommendations! Published in 2020 at "International Journal of Energy Research"
DOI: 10.1002/er.5613
Abstract: Density‐functional theory based, first‐principles spin‐polarized calculations of the structural, electronic, magnetic, optical, and thermoelectric characteristics of K2OsX6 (X = Cl, Br) are presented. Structural optimization confirms the stability of these compounds in ferromagnetic phase with… read more here.
Keywords: optical thermoelectric; electronic magnetic; k2osx6 compounds; thermoelectric ... See more keywords
First‐principles study on structural, electronic, magnetic, elastic, mechanical and thermodynamic properties of Mn2PtCo Heusler alloy
Sign Up to like & getrecommendations! Published in 2021 at "International Journal of Energy Research"
DOI: 10.1002/er.6559
Abstract: The structural, electronic, magnetic, mechanical and thermodynamic properties of the Mn2PtCo Heusler alloy have been investigated in the frame work of density functional theory (DFT). The cohesive energies confirm the Cu2MnAl‐prototype structure of Mn2PtCo with… read more here.
Keywords: thermodynamic properties; mechanical thermodynamic; electronic magnetic; structural electronic ... See more keywords
Electronic and magnetic properties of TATA‐DNA sequence driven by chemical functionalization
Sign Up to like & getrecommendations! Published in 2023 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.27079
Abstract: The TATA box is a promoter sequence able to interact directly with the components of the basal transcription initiation machinery. We investigate the changes in the electronic and magnetic properties of a TATA‐DNA sequence when… read more here.
Keywords: dna; functionalization; sequence; chemical functionalization ... See more keywords
Structural, electronic, magnetic and thermoelectric properties of Tl2 NbX6 (X = Cl, Br) variant perovskites calculated via density functional theory.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of computational chemistry"
DOI: 10.1002/jcc.27166
Abstract: This article presents detailed structural, electronic, magnetic, and thermoelectric properties of two experimentally existing isostructural variant perovskite compounds Tl2 NbX6 (X = Cl, Br) with the help of first principles calculations. As per requirement of stability in… read more here.
Keywords: magnetic thermoelectric; structural electronic; tl2 nbx6; thermoelectric properties ... See more keywords
Electronic and Magnetic Properties of Small Nickel Clusters Nin (n ≤ 15): First Principle Study
Sign Up to like & getrecommendations! Published in 2024 at "International Journal of Quantum Chemistry"
DOI: 10.1002/qua.70007
Abstract: Theoretical study on the structure and electronic properties of small Nin (n ≤ 15) clusters has been carried out in the framework of density functional theory. The equilibrium geometries, the bond length, average binding energy, and magnetic… read more here.
Keywords: electronic magnetic; properties small; small nickel; study ... See more keywords
Tunable electronic and magnetic properties of defective g-ZnO monolayer doping with non-metallic elements
Sign Up to like & getrecommendations! Published in 2024 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-024-06015-x
Abstract: The electronic and magnetic properties of non-metallic (NM) elements doping defective graphene-like ZnO (g-ZnO) monolayer including O vacancy (VO) and Zn vacancy (VZn) are studied. The results show that VO-g-ZnO is a semiconductor and VZn-g-ZnO… read more here.
Keywords: vzn; electronic magnetic; non metallic; elements doping ... See more keywords