Pressure dependence of the energy gap in some I-III-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">VI</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>compound semiconductors

Jayaraman, A.; Narayanamurti, V.; Kasper, H. M.; Chin, M. A.; Maines, R. G.

doi:10.1103/physrevb.14.3516

Cited by 79 publications

(33 citation statements)

References 15 publications

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“…Table 2 lists the resultant values for the chalcopyrite pressure, while in Table 3 we compare the chalcopyrite pressure coefficients with those of the corresponding III-V compounds (the two partial derivatives ∂η/∂ ln V and ∂u/∂ ln V are, of course, both zero in the zinc-blende compounds). In general, we find quite good agreement between the experimental [5][6][7][8][9] and other calculated [10] band-gap pressure coefficients in the chalcopyrite compounds. We see from Table 2 that the main contribution to a p of the chalcopyrite compounds comes from the direct volume deformation potential term (∂E g /∂ ln V), while the remaining two terms in Eq.…”

Section: Resultssupporting

confidence: 73%

“…(iv) In III-V compounds, a p increases significantly as the anion atomic number increases [11][12][13][14][15][16][17]. We have investigated a p theoretically in these materials and found good agreement between theoretical and experimental values [5][6][7][8][9][10]. We explain why a p is smaller and more cation dependent in chalcopyrites than in III-V compounds and why a p increases with the anion atomic number.…”

Section: Introductionmentioning

confidence: 80%

“…In this paper, we examine the applicability of such a rule to chalcopyrite compounds [4] ABC 2 using the latest experimental data values [5][6][7][8][9] of a p (last column of Table 2) and theoretical values [10]. We see from the data that (i) a p in chalcopyrites is fairly constant when [11][12][13][14] for zinc-blende GaX (X = P, As, Sb) and InP (last column of Table 3), we found that a p for chalcopyrites are much smaller than those for the corresponding III-V compounds.…”

Section: Introductionmentioning

confidence: 99%

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Structural and electronic properties of chalcopyrite semiconductors AgXY₂ (X = In, Ga; Y = S, Se, Te) under pressure

Chahed¹,

Benhelal²,

Rozale³

et al. 2007

Physica Status Solidi (b)

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Results are presented of a first-principles calculation of the direct band-gap pressure coefficient a g for a series of Al, Ga and In chalcopyrite semiconductor compounds AgXY 2 (X = Ga, In; Y = S, Se, Te) and the corresponding zinc-blende structure. Good agreement was found between the calculated and experimental pressure coefficients. It was found that a g in chalcopyrites are dramatically reduced relative to zinc-blende compounds, and that the Al → Ga → In substitution lowers a g in chalcopyrites more than in zinc-blende compounds. As a result, the empirical rule suggested for zinc-blende compounds, stating that for a given transition (e.g. Γ 15v → Γ 1c ) a g does not depend on substitutions, has to be modified for chalcopyrites.

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Section: Resultssupporting

confidence: 73%

Section: Introductionmentioning

confidence: 80%

Section: Introductionmentioning

confidence: 99%

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Structural and electronic properties of chalcopyrite semiconductors AgXY₂ (X = In, Ga; Y = S, Se, Te) under pressure

Chahed¹,

Benhelal²,

Rozale³

et al. 2007

Physica Status Solidi (b)

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“…Further, the energy band gap of all these compounds is found to increase with pressure. This increase has been observed experimentally by Jayaraman et al [12] and this leads to the conclusion that the bottom of the conduction band must be rising in energy with pressure. Hence, the pressure coefficient dE g adP is found to be positive.…”

Section: Variation Of Energy Gap With Pressurementioning

confidence: 69%

Electronic Structure Calculations and Physical Properties of ABX2(A = Cu, Ag; B = Ga, In; X = S, Se, Te) Ternary Chalcopyrite Systems

Asokamani

Amirthakumari

Rita³

et al. 1999

phys. stat. sol. (b)

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The results of the electronic band structure calculations performed on ternary chalcogenides ABX2 (A = Cu Ag; B = Ga, In; X = S, Se, Te) using the semi‐relativistic Tight Binding Linear Muffin Tin Orbital method are reported. The equilibrium lattice constants and the bulk moduli obtained from the P–V curves agree very well with the experimental values. More generalized equations connecting the cell volumes and bulk moduli as well as bulk moduli and melting points are established. It is to be noted that since these equations hold good for all I–III–VI2 compounds they could be used further for extracting the above parameters for other compounds that crystallize in the body centered tetragonal structure. The energy gap at ambient pressure is found to be direct in all the cases and the nature of the gap crucially depends on the manner in which the d‐electrons of the A atoms are treated. The pressure derivatives of the energy gaps as well as the metallisation pressures are calculated and compared with the available experimental values.

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“…GaInP 2 , is equal to 8.8 × 10 -2 eV/GPa [4]. This reduction in the bandgap pressure coefficient between a chalcopyrite semiconductor and its zincblende analogue has been observed also in the I-III -VI 2 chalcopyrites [5].…”

mentioning

confidence: 92%

Pressure dependence of the natural birefringence in the II–IV–V₂ chalcopyrite CdGeP₂

Choi

2003

Physica Status Solidi (b)

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PACS 78.20.Fm, 78.40.Fy Chalcopyrite semiconductors are birefringent as a result of their tetragonal crystal lattice structure. The dispersion of this birefringence contains contributions from the near-bandgap transitions and also from higher energy band-to-band transitions. We report the effect of pressure on the dispersion of the natural birefringence in CdGeP 2 . We found that pressure tends to decrease both contributions. The pressure effect on the near-bandgap contribution results mostly from an increase of the bandgap with pressure.Chalcopyrite semiconductors, including ZnGeP 2 and AgGaSe 2 , have found applications as nonlinear optical crystals because of their large nonlinear optical susceptibility and natural birefringence [1,2]. The latter property makes phase-matching of the linear and nonlinear optical waves possible. So far only the dispersion in their natural birefringence has been studied extensively (see, for example, [3]). To our knowledge, the pressure dependence of their birefringence has not been studied so far. Among the II -IV-V 2 chalcopyrite semiconductors the optical properties of CdGeP 2 with a fundamental bandgap around 1.85 eV is not well known. In this paper we report the pressure dependence of both its bandgap and natural birefringence. We have analyzed our results to extract the contributions from the bandgap and higher transitions to the birefringence of CdGeP 2 .Our CdGeP 2 samples were grown by slowly heating the 6N pure elements in an evacuated fused silica ampoule to above the liquidus, at 830 °C, and held at this temperature for 48 h in order to suppress the exothermic and potentially explosive reaction. The ampoule is positioned at approximately the middle of the furnace where the temperature gradient is below 0.5 °C/cm to minimize crack and bubbles. Following the heating the ampoule was cooled rapidly to 790 °C at which point the cooling rate was reduced to 1 °C/h. This cooling rate was maintained down to 750 °C in order to facilitate crystal growth. Throughout the temperature range of 750-500 °C the cooling rate was increase to 5 °C/h, and finally the furnace was switched off at 500 °C. The samples were characterized by X-ray and Raman measurements and found to be single crystalline. Thin slices were cut for transmission measurements with the sample surface perpendicular to the [112] crystallographic axis. To measure the birefringence, the sample was placed at room temperature between two crossed prism linear polarizers. The polarizer was oriented at 45° to the [110] axis. The sample was illuminated with light generated by a quartz tungsten lamp. The transmitted light was analyzed by a 0.75 m Spex monochromator and detected by a RCA31034 photomultiplier tube with photon counting electronics. For the pressure dependent experiment, the sample

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Pressure dependence of the energy gap in some I-III-VI2compound semiconductors

Cited by 79 publications

References 15 publications

Structural and electronic properties of chalcopyrite semiconductors AgXY₂ (X = In, Ga; Y = S, Se, Te) under pressure

Structural and electronic properties of chalcopyrite semiconductors AgXY₂ (X = In, Ga; Y = S, Se, Te) under pressure

Electronic Structure Calculations and Physical Properties of ABX2(A = Cu, Ag; B = Ga, In; X = S, Se, Te) Ternary Chalcopyrite Systems

Pressure dependence of the natural birefringence in the II–IV–V₂ chalcopyrite CdGeP₂

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Pressure dependence of the energy gap in some I-III-VI2compound semiconductors

Cited by 79 publications

References 15 publications

Structural and electronic properties of chalcopyrite semiconductors AgXY2 (X = In, Ga; Y = S, Se, Te) under pressure

Structural and electronic properties of chalcopyrite semiconductors AgXY2 (X = In, Ga; Y = S, Se, Te) under pressure

Electronic Structure Calculations and Physical Properties of ABX2(A = Cu, Ag; B = Ga, In; X = S, Se, Te) Ternary Chalcopyrite Systems

Pressure dependence of the natural birefringence in the II–IV–V2 chalcopyrite CdGeP2

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Product

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Structural and electronic properties of chalcopyrite semiconductors AgXY₂ (X = In, Ga; Y = S, Se, Te) under pressure

Structural and electronic properties of chalcopyrite semiconductors AgXY₂ (X = In, Ga; Y = S, Se, Te) under pressure

Pressure dependence of the natural birefringence in the II–IV–V₂ chalcopyrite CdGeP₂