TY - JOUR
T1 - Electronic structures of hexagonal boron-nitride monolayer
T2 - Strain-induced effects
AU - Fujimoto, Yoshitaka
AU - Koretsune, Takashi
AU - Saito, Susumu
PY - 2014/5
Y1 - 2014/5
N2 - First-principles electronic-structure calculations have been performed to examine electronic properties of hexagonal boron nitride (h-BN) monolayers. The dispersion of the energy bands and the width of the band gaps are calculated under biaxial strains. It is found that the band gap decreases as the tensile strain increases, whereas the band gap increases and then it decreases as the compressive strain increases. The relationship between the energy-band structures and the applied strains is reported to clarify the unique behaviors of the band gaps induced by biaxial strains.
AB - First-principles electronic-structure calculations have been performed to examine electronic properties of hexagonal boron nitride (h-BN) monolayers. The dispersion of the energy bands and the width of the band gaps are calculated under biaxial strains. It is found that the band gap decreases as the tensile strain increases, whereas the band gap increases and then it decreases as the compressive strain increases. The relationship between the energy-band structures and the applied strains is reported to clarify the unique behaviors of the band gaps induced by biaxial strains.
KW - Band gap
KW - Biaxial strains
KW - Energy-band structures
KW - First-principles density-functional calculation
KW - H-BN monolayer
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U2 - 10.2109/jcersj2.122.346
DO - 10.2109/jcersj2.122.346
M3 - Article
AN - SCOPUS:84899863739
SN - 1882-0743
VL - 122
SP - 346
EP - 348
JO - Journal of the Ceramic Society of Japan
JF - Journal of the Ceramic Society of Japan
IS - 1425
ER -