2013
DOI: 10.1016/j.chemphys.2013.09.008
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Zinc-blende to rock-salt structural phase transition of BP and BAs under high pressure

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Cited by 18 publications
(9 citation statements)
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“…Using the experimental numerical value (148 GPa) [8] for BAs material and the empirical value (108 GPa) for BSb material of the bulk modulus; the results obtained of the elastic constants (C 11 , C 12 and C 44 ) and the single crystal shear modulus C S are given in Table 2, and compared with other theoretical works [2], [3], [5], [12], [17], [20], [21], [22], [23] and [24]. Our values of the elastic constants and the single crystal shear modulus are in general in good agreement with the previous theoretical results.…”
Section: Homopolar and Heteropolar Energies And The Bonding-antibomentioning
confidence: 99%
See 1 more Smart Citation
“…Using the experimental numerical value (148 GPa) [8] for BAs material and the empirical value (108 GPa) for BSb material of the bulk modulus; the results obtained of the elastic constants (C 11 , C 12 and C 44 ) and the single crystal shear modulus C S are given in Table 2, and compared with other theoretical works [2], [3], [5], [12], [17], [20], [21], [22], [23] and [24]. Our values of the elastic constants and the single crystal shear modulus are in general in good agreement with the previous theoretical results.…”
Section: Homopolar and Heteropolar Energies And The Bonding-antibomentioning
confidence: 99%
“…By analyzing of the Poisson's ratio and the ratio R S/B they found that at low pressures, the boron monopnictides BY (Y = N, P and as) are brittle in nature in ZnS phase and ductile in nature at high pressures in both ZnS and NaCl phases. Sarwan et al [3] have studied the pressure induced phase transition from the zincblende to rocksalt structural phase and some other thermophysical properties of BP and BAs semiconductor compounds. In object to study the electronic properties of BX (X= N, as and Sb) compounds, Bouhafs et al [4] have performed an ab initio investigation using a plane-wave expansion within the local density and the pseudopotential approximations.…”
Section: Introductionmentioning
confidence: 99%
“…Recently, the zincblende structure of boron antimonide thin films is also successful syntheses from B/Sb multilayer films which deposited onto silicon substrate [4,5], and several physical properties of this compound were obtained; the optical band gap is about 0.59 eV [5], and a plasmon energy ћω p varied from 15.62 eV to 15.67 eV [4,5]. Furthermore many experimental [6,7] and theoretical works [8][9][10][11][12][13][14][15] have been study structural, elastic, electronic and some other physical properties of boron based pnictides BX (X = P, As and Sb). In the present work, we report an empirical calculation of the longitudinal, transverse and average elastic wave velocities, the Debye temperature, the melting temperature, the thermal conductivity, the linear thermal expansion coefficient and the Grüneisen parameter of two boron based pnictides BX (X = As and Sb).…”
Section: Introductionmentioning
confidence: 99%
“…Boron based materials BX (X = P, As) are two compounds, which belong to III-V group [1]. These later have attracted increased research attention over the past few years because of great technological interest for electronic and optical devices manufacturing [1,2] and high temperature applications [1].…”
Section: Introductionmentioning
confidence: 99%
“…These later have attracted increased research attention over the past few years because of great technological interest for electronic and optical devices manufacturing [1,2] and high temperature applications [1]. To best of our knowledge, BP and BAs semiconductors were experimentally obtained for the first time in 1958 by Perri et al [3].…”
Section: Introductionmentioning
confidence: 99%