Theoretical investigation of the local lattice structure of Cr2+ ion at tetragonal sites in GaAs semiconductor

Jiao, Zhaoyong; Ma, Shenggui; Kuang, Xiao‐Yu; Zhang, Xianzhou

doi:10.1016/j.jallcom.2008.09.037

Cited by 3 publications

(1 citation statement)

References 13 publications

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“…al. [19] have reported structural, electronic and optical properties of CdGa 2 X 4 (X = S, Se, Te) using DFT based VASP code. It is well known that ternary chalcopyrites have some interesting structural anomalies [20,21,22,23,24] relative to their binary analogous.…”

Section: Introductionmentioning

confidence: 99%

Effect of Na substitution on electronic and optical properties of CuInS2 chalcopyrite semiconductor

Mishra¹,

Ganguli²

2015

Journal of Solid State Chemistry

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We observe significant effects of structural distortion on electronic and optical properties of CdGa 2 X 4 (X = S, Se, Te) defect chalcopyrite. The calculation is carried out within Density functional theory based tight binding linear muffin tin orbital (TB-LMTO) method. Structural parameters and band gap of CdGa 2 X 4 agree well with the available experimental values within LDA limit. Change in band gap due to structural distortion is 3.63%, 4.0%, and 8.8% respectively. We observe significant change in optical properties also due to this effect. Effects on optical properties come mainly from optical matrix elements. Our results of these response functions agree well with the available experimental values.

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Section: Introductionmentioning

confidence: 99%

Effect of Na substitution on electronic and optical properties of CuInS2 chalcopyrite semiconductor

Mishra¹,

Ganguli²

2015

Journal of Solid State Chemistry

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Ultrasonic investigation of the Jahn-Teller effect in GaAs semiconductors doped by transition metals

Averkiev

Берсукер

Гудков

et al. 2014

Journal of Applied Physics

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Transition-metal-doped semiconductor GaAs crystals are used as model systems for spintronic research, as well as in other applications. To explore the structure and properties of such impurities, we extended the methodology of ultrasonic investigation of the Jahn-Teller effect in dielectric impurity-centers to the study of significantly different semiconductor impurities using the GaAs:Cu crystal as an example. Phase velocity and attenuation of ultrasound in this system were measured in the temperature interval of 1.9–80 K at 52 MHz and 156 MHz. The anomaly in the velocity and a peak of attenuation found for the longitudinal and slow shear waves indicate the presence of the Jahn-Teller effect with the e-type local distortions of the CuGa4As impurity complex. The temperature dependence of the elastic modulus and relaxation time shows that below 5 K, the thermal activation mechanism of relaxation is possibly replaced by resonance type transitions. The main parameters of the Jahn-Teller effect, stabilization energy, minima positions and the barrier between them, frequency of pseudorotation of the distortions, and the tunneling splitting of the ground state energy, as well as the constant of exchange interaction between the two holes in Cu2+ centers and the concentration of the centers were estimated.

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Relaxation and resonance ultrasound attenuation by Jahn-Teller centers in a GaAs:Cu crystal

et al. 2012

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Theoretical investigation of the local lattice structure of Cr2+ ion at tetragonal sites in GaAs semiconductor

Cited by 3 publications

References 13 publications

Effect of Na substitution on electronic and optical properties of CuInS2 chalcopyrite semiconductor

Effect of Na substitution on electronic and optical properties of CuInS2 chalcopyrite semiconductor

Ultrasonic investigation of the Jahn-Teller effect in GaAs semiconductors doped by transition metals

Relaxation and resonance ultrasound attenuation by Jahn-Teller centers in a GaAs:Cu crystal

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