Magnetic Ordering in Hexagonally Bonded Sheets with First-Row Elements | Zendy

Susumu Okada | Zendy; Atsushi Oshiyama | Zendy

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Magnetic Ordering in Hexagonally Bonded Sheets with First-Row Elements

Author(s) -

Susumu Okada,

Atsushi Oshiyama

Publication year - 2001

Publication title -

physical review letters

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 3.688

H-Index - 673

eISSN - 1079-7114

pISSN - 0031-9007

DOI - 10.1103/physrevlett.87.146803

Subject(s) - ferromagnetism , density functional theory , condensed matter physics , honeycomb , materials science , ground state , honeycomb structure , stoichiometry , electronic structure , electronic band structure , spin (aerodynamics) , total energy , physics , atomic physics , quantum mechanics , thermodynamics , chemistry , psychology , organic chemistry , displacement (psychology) , composite material , psychotherapist

We report first-principles total-energy electronic-structure calculations in the density-functional theory performed for hexagonally bonded honeycomb sheets consisting of B, N, and C atoms. We find that the ground state of BNC sheets with particular stoichiometry is ferromagnetic. Detailed analyses of energy bands and spin densities unequivocally reveal the nature of the ferromagnetic ordering, leading to an argument that the BNC sheet is a manifestation of the flat-band ferromagnetism

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