New and interesting physical phenomena arise in ultra-small materials, such as nanoribbons and nanoflakes. Such structures have properties that are significantly modified by the width, type and shape of the edge, size and composition. These diverse possibilities to control them, makes some types of nanoribbons and nanoflakes are not fully understood so far. Here, we study diamond-shaped graphene-boron nitride nanoribbons and nanoflalces using density functional theory. We investigate the structural, magnetic and electronic properties as functions of variable widths along nanoribbon and the lateral size of the nanoflalces. We find that boron nitride structures with predominantly zigzag edges are more stable than graphene systems. With such edges. Magnetic moment in graphene-boron nitride nanoflakes is directly proportional to the difference between the number of carbon atoms in each sublattice. We observed giant magnetic moments by supercell (approximately 5 mu(B)). The n x n supercell of the diamond-shaped graphene-boron nitride nanoflakes has a magnetic moment n mu(B). Variable width, 1-D and 2-D quantum confinement can adjust the properties of nanoribbons and nanoflakes.
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Sichuan Univ, Coll Phys, Key Lab High Energy Dens Phys & Technol MOE, Chengdu 610064, Peoples R ChinaSichuan Univ, Coll Phys, Key Lab High Energy Dens Phys & Technol MOE, Chengdu 610064, Peoples R China
Chen, Zi-Yu
Qin, Rui
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China Acad Engn Phys, Inst Fluid Phys, Natl Key Lab Shock Wave & Detonat Phys, Mianyang 62999, Sichuan, Peoples R ChinaSichuan Univ, Coll Phys, Key Lab High Energy Dens Phys & Technol MOE, Chengdu 610064, Peoples R China
机构:
Michigan Technol Univ, Dept Phys, Houghton, MI 49931 USA
Inst High Performance Comp, Singapore 138632, SingaporeMichigan Technol Univ, Dept Phys, Houghton, MI 49931 USA
Loh, G. C.
Pandey, Ravindra
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Michigan Technol Univ, Dept Phys, Houghton, MI 49931 USAMichigan Technol Univ, Dept Phys, Houghton, MI 49931 USA
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Umea Univ, Dept Phys, S-90187 Umea, Sweden
Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USAUmea Univ, Dept Phys, S-90187 Umea, Sweden
Barzegar, Hamid Reza
Zettl, Alex
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Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA
Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA
Univ Calif Berkeley, Kavli Energy Nano Sci Inst, Berkeley, CA 94720 USA
Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USAUmea Univ, Dept Phys, S-90187 Umea, Sweden