Investigation of the energy band structure of boron phosphide by ultra-soft X-ray spectroscopy

Fomichev, V.A.; Zhukova, I.I.; Polushina, I. K.

doi:10.1016/0022-3697(68)90238-2

Cited by 41 publications

(6 citation statements)

References 11 publications

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“…This result is in excellent agreement with the established room temperature experimental band gap of 2.0 6 0.02 eV. 26,35,36 Like diamond and silicon, the lowest conduction band for zb-BP occurs slightly away from the X point, due to its low ionicity. 31 It is believed that the splitting at X into two states is due to the small ionicity of BP.…”

Section: Resultssupporting

confidence: 89%

“…Another experiment to establish the correct band gap value of BP was carried out by Fomichev and his group. 35 They obtained the X-ray emission and photoelectric spectra of boron and phosphorous in BP. They observed that the energy spread between the end of the emission spectrum and the beginning of the photoelectric spectrum corresponds to the width of the energy gap.…”

Section: Introductionmentioning

confidence: 99%

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Ab-initio calculations of electronic, transport, and structural properties of boron phosphide

Ejembi

Nwigboji

Franklin

et al. 2014

Journal of Applied Physics

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We present results from ab-initio, self-consistent density functional theory calculations of electronic and related properties of zinc blende boron phosphide (zb-BP). We employed a local density approximation potential and implemented the linear combination of atomic orbitals formalism. This technique follows the Bagayoko, Zhao, and Williams method, as enhanced by the work of Ekuma and Franklin. The results include electronic energy bands, densities of states, and effective masses. The calculated band gap of 2.02 eV, for the room temperature lattice constant of a = 4.5383 Å, is in excellent agreement with the experimental value of 2.02 ± 0.05 eV. Our result for the bulk modulus, 155.7 GPa, agrees with experiment (152–155 GPa). Our predictions for the equilibrium lattice constant and the corresponding band gap, for very low temperatures, are 4.5269 Å and 2.01 eV, respectively.

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Section: Resultssupporting

confidence: 89%

Section: Introductionmentioning

confidence: 99%

Ab-initio calculations of electronic, transport, and structural properties of boron phosphide

Ejembi

Nwigboji

Franklin

et al. 2014

Journal of Applied Physics

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“…Then, the band structures of BP bulk are calculated with HSE06 method, as shown in Fig.2. The calculated band gap of BP bulk is 1.98 eV, which is consistent with the experimental value of 2.0±0.2 eV by ultra-soft-X-ray spectroscopy [45]. In the following calculations, the structures are optimized at PBE level and the electronic properties are studied at HSE06 level.…”

Section: Resultssupporting

confidence: 83%

First-Principles Study on Electronic and Optical Properties of Graphene-Like Boron Phosphide Sheets

Wang¹,

Wu²

2015

Chinese Journal of Chemical Physics

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Two-dimensional semiconducting materials with moderate band gap and high carrier mobility have a wide range of applications for electronics and optoelectronics in nanoscale. On the basis of first-principles calculations, we perform a comprehensive study on the electronics and optical properties of graphene-like boron phosphide (BP) sheets. The global structure search and first-principles based molecular dynamic simulation indicate that two-dimensional BP sheet has a graphene-like global minimum structure with high stability. BP monolayer is semiconductor with a direct band gap of 1.37 eV, which reduces with the number of layers. Moreover, the band gaps of BP sheets are insensitive to the applied uniaxial strain. The calculated mobility of electrons in BP monolayer is as high as 10 6 cm 2 /(V•s). Lastly, the MoS 2 /BP van der Waals heterobilayers are investigated for photovoltaic applications, and their power conversion efficiencies are estimated to be in the range of 17.7%−19.7%. This study implies the potential applications of graphene-like BP sheets for electronic and optoelectronic devices in nanoscale.

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“…104, 114, 117, 137, 151, 195 ± 197 A comprehensive X-ray spectral study of this compound was carried out; its BK a -, PK b -and PL 2,3emission spectra, as well as BK-, PK-and PL 2,3 -absorption spectra were obtained. 104,151,195,196 The dependence of BK a -spectrum on the excitation radiation length was studied. 137,197 Interpretation of boron phosphide spectra was carried out.…”

Section: Boron Nitrides and Other Binary Compoundsmentioning

confidence: 99%

X-Ray spectra and electronic structure of boron compounds

Yumatov¹,

Il’inchik²,

Волков³

2003

Russ. Chem. Rev.

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Investigation of the energy band structure of boron phosphide by ultra-soft X-ray spectroscopy

Cited by 41 publications

References 11 publications

Ab-initio calculations of electronic, transport, and structural properties of boron phosphide

Ab-initio calculations of electronic, transport, and structural properties of boron phosphide

First-Principles Study on Electronic and Optical Properties of Graphene-Like Boron Phosphide Sheets

X-Ray spectra and electronic structure of boron compounds

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