Boron and Boron-based semiconductors

Golikova, O. A.

doi:10.1002/pssa.2210510102

Cited by 145 publications

(47 citation statements)

References 121 publications

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“…(7), f from the relation of Eq. (9) As can be seen, our calculated equilibrium lattice parameter a 0 in two cases is in excellent agreement with the experimental data and previous calculations: the calculated lattice constant deviates from the measured [1,6,7] and the calculated [2,13] ones within 0.6% and 0.36%, respectively. The bulk modulus B 0 is also in good agreement with the available experimental and theoretical data, it is deviates from the measured [16] and the calculated [12] ones within 1.08% and 0.53%, respectively.…”

Section: Methodssupporting

confidence: 88%

“…From a technological point of view this material has useful physical properties, like extreme hardness, high melting point, and interesting dielectric and thermal characteristics [1,2].…”

Section: Introductionmentioning

confidence: 99%

“…Many papers [1,2,4,624] have studied structural, electronic and elastic properties of this compound, but only a few of these papers [17] dealt with theoretical aspect have been devoted to the study of the anisotropy eect on their mechanical parameters.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

First-Principles Study of Structural, Elastic and Mechanical Properties of Zinc-Blende Boron Nitride (B3-BN)

et al. 2012

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First principles study of structural, elastic properties and anisotropy eect on the mechanical parameters of the zinc-blende boron nitride has been performed using the pseudopotential plane wave method based on density functional theory with the Teter and Pade exchange-correlation functional of the local density approximation. The equilibrium lattice constant, molecular and crystal densities, bond length, the independent elastic constants, bulk modulus and its pressure derivatives, compressibility, shear modulus, internal strain parameter, isotropy factor, compliance constants, the Debye temperature, Young's modulus, Poisson's ratio, the Lamé constants and sound velocity for directions within the important crystallographic planes of this compound are obtained and analyzed in comparison with the available theoretical data reported in the literature.

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Section: Methodssupporting

confidence: 88%

“…From a technological point of view this material has useful physical properties, like extreme hardness, high melting point, and interesting dielectric and thermal characteristics [1,2].…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

First-Principles Study of Structural, Elastic and Mechanical Properties of Zinc-Blende Boron Nitride (B3-BN)

et al. 2012

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“…Ogitsu et al have set forth an idea that the electronic structure of β-rhombohedral boron can be characterized as a frustrate system [161]. A similar idea was once aroused by Golikova in terms of "amorphous concept" [162,163]. However, in the author's opinion, the present proposal of frustrate system is essentially different from the old idea of amorphous concept.…”

Section: Cause Of Defectsmentioning

confidence: 85%

Electronic structures and mechanical properties of boron and boron-rich crystals (Part I)

Shirai

2010

J. Superhard Mater.

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“…[1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20] Boron phosphide (BP) has a very high thermal conductivity, a significant hardness, and an indirect band-gap. 21 Because of these properties, BP is useful in high temperature electronics applications and electro-optical devices in the short-wavelength range of the visible spectrum. 22 BP is an indirect gap semiconductor.…”

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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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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Boron and Boron-based semiconductors

Cited by 145 publications

References 121 publications

First-Principles Study of Structural, Elastic and Mechanical Properties of Zinc-Blende Boron Nitride (B3-BN)

First-Principles Study of Structural, Elastic and Mechanical Properties of Zinc-Blende Boron Nitride (B3-BN)

Electronic structures and mechanical properties of boron and boron-rich crystals (Part I)

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

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