Elastic constants and optical phonon frequencies of BX (X= P, As, and Sb) semiconductors: Semi-empirical prediction

Abstract

Based on some simple empirical formulas established by Adachi in, Properties of group-IV, III-V and II-VI semiconductors, John Wiley & Sons, Chichester (2005), and the experimental lattice constants reported in the literature; the present work aims to predict the elastic constants and some other significant properties of cubic zinc-blende boron compounds (BP, BAs and BSb). The obtained values of C12and C44 are in general good agreement with other data of the literature, while C11 and B are slightly lower. The zone-center longitudinal optical (LO) and transverse optical (TO) phonon frequencies are also obtained. The LO and TO phonon frequencies of BP compound were found at 866.6and 834.5 cm–1, respectively; these of BAs were found at 731.3 and 727.1 cm–1, respectively; while for the BSb narrow-gap semiconducting compound were found at around 598.3and 586.2 cm–1, respectively. These two later values are in general slightly lower than the calculated values, and the observed Raman spectroscopy values reported in the literature.

Correlation trend between the bulk modulus, micro hardness and the lattice parameter of III-V semiconductors

“…Several physical quantities, such as the mass density, the elastic constants and the width of the gap in the semiconductors are strongly correlated with the lattice spacing between the atoms of crystal [1]. The experimental bulk modulus B and Knoop microhardness H of some III-V semiconducting compounds are summarized in Table 1 [14].…”

“…Group III-V semiconducting binary compounds have recently attracted great attention [1][2][3][4][5]. These materials have many applications in electronic and optoelectronic fields [6,7].…”

Plasmon energy and microhardness of BxAl1-xSb alloys: semi-empirical prediction

“…Because of their technical and scientific importance for optoelectronic device applications, recently A N B 8-N tetrahedrally coordinated semiconducting materials have been extensively studied [1][2][3][4][5][6][7][8][9][10][11][12][13]. When several possible atomic configurations are considered, the solid crystallizes in a modification that maximizes the number of atoms in a given volume [2].…”

“…This configuration represents the state of lowest potential energy of the crystal, which is the most stable one [2]. Most of A N B 8-N binary semiconducting compounds have the zinc-blende crystallographic structure [3][4][5][6]. Kr.…”

Mechanical and thermal properties versus effective cubic lattice constant in Cu2-II-IV-VI4 quaternary compounds

“…Functional materials play an important role in developing new technologies due to their interesting physical properties [1][2][3][4][5][6][7][8][9][10][11][12]. Several works [13][14][15][16][17][18][19][20] investigated the correlation between the different properties of functional semiconducting materials.…”