Bulk Modulus of Ternary Chalcopyrite Semiconductors

Kuḿar, V.; Prasad, G.M.; Chandra, D.

doi:10.1002/pssb.2221860230

Cited by 29 publications

(33 citation statements)

References 18 publications

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“…The latter follows from the experiment [26] and theoretical modeling [27]. [29], one can encounter in the literature substantially smaller quantities of bulk moduli of chalcopyrites, e.g. from tightbinding LMTO calculations presented in [30] 24.5 GPa for the bulk modulus of AgInTe 2 had been obtained.…”

Section: Elastic Constants and Bulk Modulimentioning

confidence: 99%

Lattice dynamics of chalcopyrite semiconductors LiAlTe₂, LiGaTe₂ and LiInTe₂

Kosobutsky

Basalaev

Поплавной

2009

Physica Status Solidi (b)

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Within density functional perturbation theory using norm‐conserving pseudopotentials and a plane‐wave basis set calculations of phonon dispersion relations and densities of states of LiAlTe2, LiGaTe2 and LiInTe2 compounds being crystallized into the tetragonal chalcopyrite structure have been performed. Theoretical values of phonon mode frequencies in LiGaTe2 and LiInTe2 are in good agreement with the experimental data available for these crystals obtained by the methods of Raman and infrared spectroscopies. The similarity of the physical and chemical properties of the crystals concerned manifests itself in the similarity of their phonon spectra that are especially close to each other in low‐ and high‐frequency ranges. Phonon modes of the upper phonon band are predominantly caused by the lithium sublattice vibrations and have an upper bound of 350–370 cm–1. In a mid‐frequency range a significant downshift of the vibrational frequencies is observed on going from LiAlTe2 to LiGaTe2 and LiInTe2 that is a consequence of the third group cation mass reduction. From calculated electron density maps it follows that Li‐containing chalcopyrites are characterized by a less pronounced bond between the first group cation and anion as compared with the Cu‐ and Ag‐based analogs due to the absence of pd‐hybridization. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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Section: Elastic Constants and Bulk Modulimentioning

confidence: 99%

Lattice dynamics of chalcopyrite semiconductors LiAlTe₂, LiGaTe₂ and LiInTe₂

Kosobutsky

Basalaev

Поплавной

2009

Physica Status Solidi (b)

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“…KUMAR et al (1994) indicates GLJPTCI rt al. Figure 1 shows the graphical respresentation of the results listed in Table 1.…”

Section: Resultsmentioning

confidence: 96%

“…Figure 1 shows the graphical respresentation of the results listed in Table 1. The estimated electronic polarizability values for these ternary chalcopyrite semiconductors are considered to be better than those of KUMAR et al (1994), GUPTA, SRIVASTAVA. The optical electronegativity may give an insight into the bonding of material.…”

Section: Resultsmentioning

confidence: 99%

A Simple Model for Evaluation of Electronic Polarizabilities of Chalcopyrity Semiconductors

Reddy

Ahammed

Reddy

et al. 1996

Cryst. Res. Technol.

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“…In view of the above, a simple empirical relation has been proposed to evaluate the bulk modulus of ternary chalcopyrite's which are in excellent agreement with the previous estimation. [13][14][15][16][17][18][19][20][21][22][23][24][25][26][27][28][29][30][31][32] A fairly good agreement has been obtained between them.…”

Section: Introductionmentioning

confidence: 98%

An Empirical Bulk Modulus Model of Ternary Chalcopyrite Structure Solids

2017

RJC

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A simple empirical relation has been proposed to estimate the bulk modulus (B) of ternary chalcopyrite structure solids of I-II-VI, II-IV-V type from the electronegativies of the constituent atoms and the principal quantum number of atoms of the compounds. The present relation is based on chemical bonding model. The electronegativity and principal quantum number determine the chemical bonding of constituent atoms of compounds. The chemical bonding of compounds is the starting point of the stability of compound which is based on the minimum energy principle. In this study, the ground state property like bulk modulus has been correlated with the nature of bonding of materials. The combination of electronegativity and principal quantum number gives a good account of bonding of ternary chalcopyrite structure solids. These two parameters provide a reliable guide to the structural stability of chalcopyrite structure solids. The computed values for bulk modulus are found to be good agreement with the known ones, the comparison between our present values and the ones in the literature is also given.

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Bulk Modulus of Ternary Chalcopyrite Semiconductors

Cited by 29 publications

References 18 publications

Lattice dynamics of chalcopyrite semiconductors LiAlTe₂, LiGaTe₂ and LiInTe₂

Lattice dynamics of chalcopyrite semiconductors LiAlTe₂, LiGaTe₂ and LiInTe₂

A Simple Model for Evaluation of Electronic Polarizabilities of Chalcopyrity Semiconductors

An Empirical Bulk Modulus Model of Ternary Chalcopyrite Structure Solids

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Bulk Modulus of Ternary Chalcopyrite Semiconductors

Cited by 29 publications

References 18 publications

Lattice dynamics of chalcopyrite semiconductors LiAlTe2, LiGaTe2 and LiInTe2

Lattice dynamics of chalcopyrite semiconductors LiAlTe2, LiGaTe2 and LiInTe2

A Simple Model for Evaluation of Electronic Polarizabilities of Chalcopyrity Semiconductors

An Empirical Bulk Modulus Model of Ternary Chalcopyrite Structure Solids

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Product

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Lattice dynamics of chalcopyrite semiconductors LiAlTe₂, LiGaTe₂ and LiInTe₂

Lattice dynamics of chalcopyrite semiconductors LiAlTe₂, LiGaTe₂ and LiInTe₂