Elastic stiffness constants of copper indium diselenide determined by neutron scattering

Fouret, R.; Hennion, B.; González, J.; Wasim, S. M.

doi:10.1103/physrevb.47.8269

Cited by 32 publications

(21 citation statements)

References 19 publications

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“…Finally, the compliance constant s 12 is positive (Table 6), in contrast not only to the results for CdGeAs 2 (Table 1), AgGaS 2 (Table 3), and AgGaSe 2 (Table 4) but also to the observed general tendency that the s ij with i ≠ j are usually negative [41,42]. Taking into account all these inconsistencies it must be concluded that some of the elastic stiffness constants reported by Fouret et al [70] must be considered with caution, in spite of the fact that they satisfy the Born stability criteria for the tetragonal chalcopyrite lattice, …”

Section: Aggasementioning

confidence: 69%

“…Indeed, it has been shown by detailed structure studies that even AgGaSe 2 crystals grown under optimum conditions reveal various types of macroscopic and microscopic structural defects like cracks, stacking faults and precipitates of Ga 2 Se 3 and Ag 9 GaSe 6 [54,69]. [100], [110], [101] and [111] by inelastic neutron scattering at room temperature and atmospheric pressure [70]. The results obtained for the stiffness constants c ij with an estimated instrumental error of |∆c ij /c ij | < 5% are given in Table 6, together with compliances s ij and compressibilities κ i .…”

Section: Aggasementioning

confidence: 99%

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Lattice dynamics and related properties of A^IB^III and A^IIB^IV compounds, I. Elastic constants

Neumann¹

2004

Cryst. Res. Technol.

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The present state of knowledge of the elastic properties of the ternary chalcopyrite compounds and some related materials is reviewed. Results of experimental elastic constant determinations are critically evaluated by comparing with other experimentally available material parameters that directly depend on the elastic constants. Possible reasons for existing discrepancies and obvious inconsistencies in the experimental data are discussed. The results of theoretical calculations of the elastic constants of these compounds based on different theoretical models and approaches are compared with experimental data and are assessed concerning achievable accuracy and reliability.

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Section: Aggasementioning

confidence: 69%

Section: Aggasementioning

confidence: 99%

Lattice dynamics and related properties of A^IB^III and A^IIB^IV compounds, I. Elastic constants

Neumann¹

2004

Cryst. Res. Technol.

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“…In Table-1, the estimated values are listed along with the results of earlier researchers. 6,16,18,26,29,30,[36][37][38][39][40][41][42][43][44][45][46][47][48][49] It is observed that the calculated values are in better agreement with the experimentally reported values. The results also agree closely with the values reported for these compounds by earlier workers.…”

Section: Resultsmentioning

confidence: 58%

“…The results also agree closely with the values reported for these compounds by earlier workers. [36][37][38][39][40][41][42][43][44][45][46][47][48][49] The percentage deviation of equation (22) is calculated using the relation |experimental value-calculated value|/|experimental value|×100 and percentage deviation are given Table-1. Average percentage deviation of bulk modulus for ternary chalcopyrite's of I-III-VI2 and II-IV-V2 type has been found to be respectively7.5 and 0.02 for equation (22).…”

Section: Resultsmentioning

confidence: 99%

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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“…17 For CuInSe 2 , we obtain E 001 = 130 GPa and E 112 = 83 GPa (calculated from the stiness constants in Ref. 31 ). Hence in-plane strain can be expected to support the growth of grains with their {001} planes parallel to the surface.…”

Section: Strain Energy As Driving Force For Grain Growthmentioning

confidence: 91%

Sudden stress relaxation in compound semiconductor thin films triggered by secondary phase segregation

et al. 2015

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In polycrystalline compound semiconductor thin lms, structural defects such as grain boundaries as well as lateral stress can form during lm growth, which may deteriorate their electronic performance and mechanical stability. In Cu-based chalcogenide semiconductors such as Cu(In, Ga)Se2 or Cu2ZnSn(S, Se)4, temporary Cu excess during lm growth leads to improved microstructure such as a reduced grain boundary density, a strategy that has been used for decades for high-eciency chalcopyrite thin lm solar cells. However, the mechanisms responsible for the benecial eect of Cu-excess are yet not fully claried. Here, we investigate the evolution of lateral stress, grain growth and Cu-Se segregation during Cu-Se deposition onto Cu-poor CuInSe2. Real-time x-ray diraction and uorescence analysis with a double-detector setup reveals that sudden stress relaxation occurs shortly prior to Cu-Se segregation at the surface and precisely coincides with domain growth and change of texture. Numerical reaction-diusion modeling provides an explanation for the observed delay of Cu-Se segregation. Our results show that partial recrystallization of the lm can be already reached without the necessity of an overall Cu-rich lm composition and thus suggest a new synthesis route for the fabrication of high-quality chalcopyrite absorber lms.Co-evaporation of Cu(In, Ga)Se 2 (CIGSe) lms -used as absorber layer in thin lm solar cells with world record energy conversion eciencies 1,2 -features a puzzling peculiarity: For the nal lm, a Cu-poor composi-is required to obtain highest eciencies; however, during deposition, the lm composition is changed from an initially Cu-poor composition to an intermediate Cu-rich composition and nally changed back to a Cu-poor composition. The composition modications during lm deposition are realized by varying the Cu and In+Ga evaporation uxes. Two crucial ndings point out the importance of the Cu-poor → Cu-rich transition: First, highest eciencies are only achieved if an intermediate Cu-rich lm composition was reached during lm deposition. 3 Second, a three-stage process with a Cu-poor → Cu-rich → Cu-poor sequence leads to higher eciencies than a two-stage process with only a Cu-rich → Cu-poor sequence. 46 Thus, it seems that the key challenge in understanding the success of the three-stage process over the two stage-process is -besides the adjustment of an ideal Ga gradient -the identication of the reactions and their driving forces acting during the Cu-poor → Cu-rich transition.While the eect of the Cu-poor → Cu-rich transition on structural and morphological changes in CIGSe lms such as grain growth 710 as well as on electronic properties of the material 3,11 has been thoroughly investigated in the past decade, the physical mechanisms and driving forces of these changes are not fully understood. Reduction of grain boundary (GB) energies or defect densities were proposed as possible driving forces for grain growth; 79 however, no attention has so far been paid to the potential role of stress energy for the mic...

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Elastic stiffness constants of copper indium diselenide determined by neutron scattering

Cited by 32 publications

References 19 publications

Lattice dynamics and related properties of A^IB^III and A^IIB^IV compounds, I. Elastic constants

Lattice dynamics and related properties of A^IB^III and A^IIB^IV compounds, I. Elastic constants

An Empirical Bulk Modulus Model of Ternary Chalcopyrite Structure Solids

Sudden stress relaxation in compound semiconductor thin films triggered by secondary phase segregation

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Elastic stiffness constants of copper indium diselenide determined by neutron scattering

Cited by 32 publications

References 19 publications

Lattice dynamics and related properties of AIBIII and AIIBIV compounds, I. Elastic constants

Lattice dynamics and related properties of AIBIII and AIIBIV compounds, I. Elastic constants

An Empirical Bulk Modulus Model of Ternary Chalcopyrite Structure Solids

Sudden stress relaxation in compound semiconductor thin films triggered by secondary phase segregation

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Product

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Lattice dynamics and related properties of A^IB^III and A^IIB^IV compounds, I. Elastic constants

Lattice dynamics and related properties of A^IB^III and A^IIB^IV compounds, I. Elastic constants