Modulating the electronic structures and optical absorption spectra of BeO nanotubes by uniaxial strain

Abstract

Structure and thermodynamic properties of BeO: Empirical corrections in the quasiharmonic approximation J. Appl. Phys. 113, 033517 (2013); 10.1063/1.4776679 Structural, elastic, electronic, and phonon properties of zinc-blende and wurtzite BeO

Analytical bond order potential for simulations of BeO 1D and 2D nanostructures and plasma-surface interactions

“…Ever since the discovery of single layered carbon nanostructures, nanotubes and nanosheets of carbon and other materials have been intensively studied for their exceptional electronic and mechanical properties [8,9]. The possibility of producing carbon-like sp 2 -bonded BeO nanostructures has been recently proposed [10], and been the subject of a number of first-principles studies [10][11][12][13][14][15][16][17].…”

Hydrogen molecule adsorption on pristine and selected‐elements (periods 2‐4)‐doped armchair (5,5) and zigzag (10,0) beryllium oxide nanotubes as hydrogen storage materials

“…The electronic and the linear optical properties of the BeONTs were investigated 31 . The electronic structures and absorption spectra of the BeONTs were studied, and the armchair BeONTs were suggested to be used as the sensor of photoelectron and anisotropic devices 30 . The optical absorption frequency behavior of the BeONT was studied and compared with BNNT 42 .…”

“…28 The electronic structure and magnetism in pristine (6,6) and (10,0) BeONTs were studied using DFT computations compared with the B-, C-, and N-doped (6,6) and (10,0) BeONTs. 29 The electronic structures, optical absorption spectra, the modulation of uniaxial strain along tube axis to electronic structures, and optical absorption spectra, 30 electronic and linear optical properties 31 of BeONTs were investigated by the DFT method. The structural, electronic, and magnetic properties of BeONTs and 3d transition metal-doped 32 BeONTs and the structural, electrical, and optical properties of pristine and B-, Al-, and Ga-doped BeONTs 33 were studied.…”

“…31 The electronic structures and absorption spectra of the BeONTs were studied, and the armchair BeONTs were suggested to be used as the sensor of photoelectron and anisotropic devices. 30 The optical absorption frequency behavior of the BeONT was studied and compared with BNNT. 42 The structural, electrical, linear, and nonlinear optical (NLO) properties of the pristine and B-, Al-, and Ga-doped BeONTs were studied by the DFT method.…”

Strain-induced improvements on linear and nonlinear optical properties of SrB4O7 crystal

“…1(a)]. Thus, it is reasonable to apply the directional external stress in order to introduce the configurational as well as optical anisotropy, which have already been successfully done in tuning magnetism, 12 ferro-electricity 13 and optical properties [14][15][16][17] of many other materials. The first-principles density functional theory (DFT) methods implemented in CASTEP package are employed.…”