Electronic structure of non-centrosymmetric AgCd2GaS4 and AgCd2GaSe4 single crystals

Bekenev, V.L.; Божко, В. В.; Parasyuk, O.V.; Davydyuk, G. E.; Булатецька, Леся Віталіївна; Fedorchuk, A.O.; Kityk, I.V.; Khyzhun, O.Y.

doi:10.1016/j.elspec.2012.11.014

Cited by 45 publications

(18 citation statements)

References 31 publications

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“…M II,III transition) bands representing mainly the energy distribution of the Cd 4d, Ge 4p and S 3p states, respectively, were measured using Johann-type DRS-2M spectrographs following the technique described in detail in Refs. [10,25]. The spectrograph energy resolutions were found to be about 0.3 eV in the energy regions corresponding to the positions of the mentioned XES bands.…”

Section: Methodsmentioning

confidence: 98%

Electronic structure and optical properties of Cu2CdGeS4: DFT calculations and X-ray spectroscopy measurements

Lavrentyev

Gabrelian

et al. 2015

Optical Materials

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Section: Methodsmentioning

confidence: 98%

Electronic structure and optical properties of Cu2CdGeS4: DFT calculations and X-ray spectroscopy measurements

Lavrentyev

Gabrelian

et al. 2015

Optical Materials

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“…The X-ray photoelectron spectrum of the valence electrons was recorded by the standard procedure [9] using an ES-2401 electronic spectrоmeter (X-ray MgK α excitation, E = 1253.6 eV). The energy scale of the spectrоmeter was calibrated against the changes in the binding energy of the Au4f 7/2 and Cu2p 3/2 core electrons of the pure reference samples (84.00±0.05 eV and 932.66±0.05 eV, respectively).…”

Section: Experiments and The Calculation Of The Electronic Structurementioning

confidence: 99%

“…The sample charge was taken into account by the binding energy of С1s electrons of hydrocarbons adsorbed on the sample surface (the energy of the С1s electrons was taken as 285.0 eV). The measurement procedure of CdLβ 2,15 (L III → N IV,V transition) and Ga(Se)Kβ 2 (K I → N II,III transition) X-ray emission bands was similar to that described in detail in [9,10]. The abovementioned X-ray emission bands were measured with an energy resolution of ∼0.3 eV.…”

Section: Experiments and The Calculation Of The Electronic Structurementioning

confidence: 99%

The electronic structure of defect chalcopyrite CdGa2Se4 as determined from first principles calculations and X-ray spectroscopy studies

et al. 2015

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The total and partial densities of states of all components of CdGa 2 Se 4 are calculated using the modified ab initio augmented plane wave (APW) method implemented in the WIEN2k software package. The results of the APW calculations indicate that in the CdGa 2 Se 4 compound, the Seр states are the main contributions to the valence band, and their contribution is maximum at the top of the valence band, meanwhile at the bottom of the conduction band the contributions of the Gas* states dominate. According to the theoretical APW-calculations, the Cdd and Gap electronic states also contribute sufficiently to the valence band (mostly at the bottom and at the top of the band respectively) in CdGa 2 Se 4 . The joint alignment of CdLβ 2,15 , GaKβ 2 and SeKβ 2 X-ray emission bands and of the X-ray photoelectron spectrum of the valence electrons obtained for the CdGa 2 Se 4 single crystal, in a common energy scale, shows good agreement of the obtained theoretical and experimental data referring to the characteristic properties of the electronic structure of the CdGa 2 Se 4 compound.

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“…We have also measured the X-ray emission (XE) Se Kβ 2 band (transition K → M II,III ) giving information regarding the energy distribution of the valence Se p states because it is well known that the electronic structure of the quaternary Tl-, Ga-, and/or Sn-bearing selenides is determined substantively by contributions of the Se 4p states forming their valence band region (see, e.g., Refs. [37][38][39]). The XE Se Kβ 2 band was acquired with an energy resolution of about 0.3 eV using a Johann-type DRS-2M spectrograph, following the technique described in detail in Ref.…”

Section: Methodsmentioning

confidence: 99%

Novel Quaternary TlGaSn2Se6 Single Crystal as Promising Material for Laser Operated Infrared Nonlinear Optical Modulators

et al. 2017

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Abstract:The studies of the laser operated third order nonlinear optical features of novel TlGaSn 2 Se 6 crystal were done. The main efforts were devoted to a search of a possibility to apply these crystals as laser operated optoelectronic material. For this reason, the third harmonic generation of the Nd:YAG pulse laser 1064 nm as the fundamental beam with varied energy density of up to 200 J/m 2 was studied. As a source of laser operated light, we have used the cw laser (532 nm), exciting the material above the energy gap. Additionally, the influence of middle-energy Ar + ions on the XPS spectra of the TlInSn 2 Se 6 surface has been explored. We have shown that the main contribution of the Se4p states is manifested in the upper part of the valence band of TlInSn 2 Se 6 We have established that for the TlGaSn 2 Se 6 crystal there exists a possibility of variation of the third harmonic generation efficiency using illumination by external continuous wave laser beam. The discovered effect makes it possible to utilize TlGaSn 2 Se 6 crystal in advanced optoelectronic laser operated devices.

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Electronic structure of non-centrosymmetric AgCd2GaS4 and AgCd2GaSe4 single crystals

Cited by 45 publications

References 31 publications

Electronic structure and optical properties of Cu2CdGeS4: DFT calculations and X-ray spectroscopy measurements

Electronic structure and optical properties of Cu2CdGeS4: DFT calculations and X-ray spectroscopy measurements

The electronic structure of defect chalcopyrite CdGa2Se4 as determined from first principles calculations and X-ray spectroscopy studies

Novel Quaternary TlGaSn2Se6 Single Crystal as Promising Material for Laser Operated Infrared Nonlinear Optical Modulators

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