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Single-molecule Magnet Properties of Silole- and Stannole-ligated Erbium Cyclo-octatetraenyl Sandwich Complexes.
Chemistry
January 2025
University of Sussex, Department of Chemistry, School of Life Sciences, BN1 9QJ, Brighton, UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND.
The synthesis, structures and magnetic properties of an η5-silole complex and an η5-stannole complex of erbium are reported. The sandwich complex anions [(η5-CpSi)Er(η8-COT)]- and [(η5-CpSn)Er(η8-COT)]-, where CpSi is [SiC4-2,5-(SiMe3)2-3,4-Ph2]2- (1Si), CpSn is [SnC4-2,5-(SiMe3)2-3,4-Me2]2- (1Sn) and COT = cyclo-octatetraenyl, were obtained as their [K(2.2.
View Article and Find Full Text PDFInvestigation into the vibrational characteristics of monolayered ruddlesden-popper compounds (Sr, Ba)HfO.
Spectrochim Acta A Mol Biomol Spectrosc
January 2025
Department of Physics, Deshbandhu College (University of Delhi), New Delhi 110019, India.
The analysis of Raman and Infrared (IR) phonons in monolayered tetragonal (Sr, Ba)HfO compounds, which exhibit D symmetry and belong to the I4/mmm phase of space group 139 with Z = 2, has been conducted using normal coordinates. The SrHfO and BaHfO compounds are the first members of the Ruddlesden-Popper (RP) series denoted as (Sr, Ba)HfO with n = 1. Nine Short-Range Force Constants (SRFC) have been included in theoretical calculations to analyze the optical phonons of SrHfO and BaHfO compounds within the I4/mmm phase.
View Article and Find Full Text PDFRole of spin-orbit coupling for the band splitting in ⍺-Sb and ⍺-Bi on SiC(0001).
J Phys Condens Matter
January 2025
AIMR, Tohoku University, 2-1-1, Katahira, Aoba-ku, Sendai, 980-8578, JAPAN.
Monolayer atomic thin films of group-V elements have a high potential for application in spintronics and valleytronics because of their unique crystal structure and strong spin-orbit coupling. We fabricated Sb and Bi monolayers on a SiC(0001) substrate by the molecular-beam-epitaxy method and studied the electronic structure by angle-resolved photoemission spectroscopy (ARPES) and first-principles calculations. The fabricated Sb film shows the (√3×√3)R30º superstructure associated with the formation of ⍺-Sb, and exhibits a semiconducting nature with a band gap of more than 1.
View Article and Find Full Text PDFPromising mechanical, electronic and piezoelectric properties of grapheneplus-like BCN monolayer: insights from first-principles.
Phys Chem Chem Phys
January 2025
Department of Physics, Zhejiang Sci-Tech University, Hangzhou, Zhejiang 310018, People's Republic of China.
Two-dimensional (2D) carbon allotropes, together with their binary and ternary counterparts, have attracted substantial research interest due to their peculiar geometries and properties. Among them, grapheneplus, a derivative of penta-graphene, has been proposed to exhibit unusual mechanical and electronic behaviour. In this work, we perform a comprehensive first-principles study on its isoelectronic and isostructural analogue, a grapheneplus-like BCN (gp-BCN) monolayer.
View Article and Find Full Text PDFRole of spin-orbit coupling for the band splitting in ⍺-Sb and ⍺-Bi on SiC(0001).
J Phys Condens Matter
January 2025
AIMR, Tohoku University, 2-1-1, Katahira, Aoba-ku, Sendai, 980-8578, JAPAN.
Monolayer atomic thin films of group-V elements have a high potential for application in spintronics and valleytronics because of their unique crystal structure and strong spin-orbit coupling. We fabricated Sb and Bi monolayers on a SiC(0001) substrate by the molecular-beam-epitaxy method and studied the electronic structure by angle-resolved photoemission spectroscopy (ARPES) and first-principles calculations. The fabricated Sb film shows the (√3×√3)R30º superstructure associated with the formation of ⍺-Sb, and exhibits a semiconducting nature with a band gap of more than 1.
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