Polar properties of a hexagonally bonded GaN sheet under biaxial compression | Zendy

Yanlin Gao | Zendy; Tomoe Yayama | Zendy; Susumu Okada | Zendy

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Polar properties of a hexagonally bonded GaN sheet under biaxial compression

Author(s) -

Yanlin Gao,

Tomoe Yayama,

Susumu Okada

Publication year - 2016

Publication title -

applied physics express

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.911

H-Index - 94

eISSN - 1882-0786

pISSN - 1882-0778

DOI - 10.7567/apex.9.095201

Subject(s) - materials science , buckling , planar , polar , electric field , lattice constant , lattice (music) , polarization (electrochemistry) , density functional theory , honeycomb , condensed matter physics , honeycomb structure , electronic band structure , band gap , composite material , computational chemistry , optoelectronics , optics , chemistry , physics , diffraction , computer graphics (images) , quantum mechanics , astronomy , computer science , acoustics

Using the density functional theory, we study the geometric and electronic structures of a GaN sheet possessing a honeycomb network. The sheet preserves the planar conformation under an equilibrium lattice constant of 3.2 Å, and has a semiconducting electronic structure with an indirect band gap of 2.28 eV. The biaxial compressive strain causes structural buckling, leading to polarization normal to the atomic layer. An external electric field normal to the layer also induces structural buckling with a height proportional to the field strength. The polarity of the buckled GaN sheet is tunable by attaching H atoms on Ga and N atoms

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