Effects of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>p</mml:mi><mml:mo>−</mml:mo><mml:mi>d</mml:mi></mml:math>hybridization on the valence band of 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>chalcopyrite semiconductors

Yoodee, Kajornyod; Woolley, J. C.; Sa‐yakanit, V.

doi:10.1103/physrevb.30.5904

Cited by 68 publications

(34 citation statements)

References 16 publications

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“…It is also reported that the increase of p-d hybridization under pressure is responsible for the small pressure dependence of the valence band energy [2]. We assume that the deformation potential b of chalcopyrite is described as ð1 À gÞb p þ gb d where g is the fraction of d-character, and that b d is negligible in AgGaS 2 [3]. Thus we can express djD CF j=dP as…”

Section: Resultsmentioning

confidence: 99%

“…In a previous work [3], g was estimated to be 0.13-0.14 for AgGaS 2 . Since hydrostatic pressure not only increases the tetragonal distortion but also decreases the I-VI bond length, we think that g increases owing to the decrease of I-VI bond length.…”

Section: Resultsmentioning

confidence: 99%

“…Thus the tetragonal crystal field splitting decreases with increasing pressure. We discuss it in terms of p-d hybridization in the valence bands.Introduction Chalcopyrite semiconductors have been widely studied because of their possible application as blue light emitters and highly efficient solar cells [1][2][3]. In addition, some chalcopyrite compounds also attract interest as non-linear optical devices because they have a large optical birefringence and a high transparency in the infrared region.…”

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confidence: 99%

“…For chalcopyrite compounds the separation between E B and E C is mostly dominated by the spinorbit interaction energy, and for I-III-S 2 systems E B À E C is negligibly small compared to E A À E B . It is known that this small spin-orbit splitting is a result of a large p-d hybridization between a p-like valence band and a metal d-band whose spin-orbit energies are opposite in their sign [3]. The permittivity constants e 1?…”

mentioning

confidence: 99%

“…where we neglect the pressure dependence of the spin-orbit splitting because it is expected to be very small, as the original spin-orbit splitting of a p-like valence band is also small [3]. Using these expressions, we derived an approximate expression for the pressure coefficient of E 0 as dE 0 dP ' 1:03a þ 0:79ða À bÞ :…”

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confidence: 99%

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Pressure Dependence of the Birefringence in AgGaS2

Nakanishi

Yamamoto

Matsuhashi

et al. 2001

phys. stat. sol. (b)

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

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confidence: 99%

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confidence: 99%

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confidence: 99%

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Pressure Dependence of the Birefringence in AgGaS2

Nakanishi

Yamamoto

Matsuhashi

et al. 2001

phys. stat. sol. (b)

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Local Bonding Influence on the Band Edge and Band Gap Formation in Quaternary Chalcopyrites

et al. 2017

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Quaternary chalcopyrites have shown to exhibit tunable band gaps with changing anion composition. Inspired by these observations, the underlying structural and electronic considerations are investigated using a combination of experimentally obtained structural data, molecular orbital considerations, and density functional theory. Within the solid solution Cu2ZnGeS4− xSex, the anion bond alteration parameter changes, showing larger bond lengths for metal–selenium than for metal–sulfur bonds. The changing bonding interaction directly influences the valence and conduction band edges, which result from antibonding Cu–anion and Ge–anion interactions, respectively. The knowledge of the underlying bonding interactions at the band edges can help design properties of these quaternary chalcopyrites for photovoltaic and thermoelectric applications.

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Comparative Photoemission Study of the CuInC Chalcopyrite Compounds

Sommer

Weiss

Neumann

et al. 1990

Cryst. Res. Technol.

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Comparative Photoemission Study of the CuInC:' Chalcopyrite CompoundsIn honour of Professor em. 0. BRUMMERS' 70th birthday Photoemission spectra of all CuInC;' chalcopyrite compounds are measured at He1 line excitation and of CuTnSz also at excitation with ZrMr radiation. It is found that the 1x15s -chalcogen p bonding states shift to lower binding energies with increasing anion mass. The energetic position of the S3s band of CuInS, is also determined. The experimental results obtained are compared with previous measurements and with theoretical band structure calculations.Photoemissionsspektren aller CuInC;' -Chalkopyritverbindungen wurden bei HeI-Anregung und von CuInS, auch bei Anregung mit ZrMC-Strahlung gemessen. Es zeigt sich, daB sich die 1115s-Chalkogen p-Bindungszustande mit steigender Anionenmasse nach kleineren Bindungsenergien verschieben. Die energetische Lage des S3s-Bandes im CuInS, wurde ebenfalls bestimmt. Die erhaltenen experimentellen Ergebnisse werden mit friiheren Messungen und mit theoretischen Bandstrukturberechnungen verglichen.

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Effects ofp−dhybridization on the valence band of I-III-VI2chalcopyrite semiconductors

Cited by 68 publications

References 16 publications

Pressure Dependence of the Birefringence in AgGaS2

Pressure Dependence of the Birefringence in AgGaS2

Local Bonding Influence on the Band Edge and Band Gap Formation in Quaternary Chalcopyrites

Comparative Photoemission Study of the CuInC Chalcopyrite Compounds

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