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RESEARCH PAPER · Journal of Alloys and Compounds · 2013

Theoretical investigations on the elastic, electronic and thermal properties of orthorhombic Li2CdGeS4 under pressure

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Theoretical investigations on the elastic, electronic and thermal properties of orthorhombic Li2CdGeS4 under pressureOriginalThe structural, elastic, electronic properties and Debye temperature of Ni3Mo under pressure from first-principles122Theoretical investigations on the structural, elastic and electronic properties of binary Beryllides under pressure11The structural, elastic, electronic properties and Debye temperature of D022-Ni3V under pressure from first-principles108Pressure effect on the structural, electronic, and elastic properties and Debye temperature of Rh 3 Nb: first-principles calculations6Revealing the origin of the strong second harmonic generation of Li2CdXS4 and Li2CdXS4 (X = Ge or Sn)8Electronic structure and optical properties of noncentrosymmetric LiGaGe 2 Se 6 , a promising nonlinear optical material27Investigation of electronic structure and thermodynamic properties of quaternary Li-containing chalcogenide diamond-like semiconductors2The structural, elastic and optical properties of ScM (M = Rh, Cu, Ag, Hg) intermetallic compounds under pressure by ab initio simulations9Electronic structure and optical properties of noncentrosymmetric LiGaSe 2 : Experimental measurements and DFT band structure calculations36Investigation of different physical aspects such as structural, mechanical, optical properties and Debye temperature of Fe2ScM (M=P and As) semiconductors: A DFT-based first principles study72Electronic structure and optical properties of LiGa0.5In0.5Se2 single crystal, a nonlinear optical mid-IR material12First-principles investigation of structural, electronic, optical and thermodynamic properties of KAg2SbS412Structural, mechanical, electronic and thermodynamic properties of cubic TiC compounds under different pressures: A first-principles study24Theoretical prediction of structural, elastic and thermodynamic properties of transition metal monosilicides CrSi, TiSi and ZrSi under high pressure6Crystal Growth, Thermal Treatment, and Characterization of Nonlinear Optical Crystal LiGa0.5In0.5Se2 for Mid-infrared Applications8Tailoring the optoelectronic, thermoelectric, and thermodynamic properties of rare-earth quaternary chalcogenides: An inclusive first-principles study19Structural stability, large optical absorption, and high-performance thermoelectric transport in quaternary diamond-like K2VCuX4 (X = S, Te) semiconductors0Diamond-like quaternary chalcogenides A2VAgS4 (A = K, Rb, Cs) as earth-abundant candidates for near-room-temperature thermoelectric waste-heat recovery: a first-principles study0

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  1. The structural, elastic, electronic properties and Debye temperature of Ni3Mo under pressure from first-principles

    Journal of Alloys and Compounds · 2014-10-13

    Lei Qi, Jin Yu-chun, Yuhong Zhao, Xiaomin Yang, Hui Zhao, Peide Han

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  2. Theoretical investigations on the structural, elastic and electronic properties of binary Beryllides under pressure

    Journal of Nuclear Materials · 2015-05-05

    Shuming Peng

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  3. The structural, elastic, electronic properties and Debye temperature of D022-Ni3V under pressure from first-principles

    Journal of Alloys and Compounds · 2015-06-20

    Yuhong Zhao, Lei Qi, Jin Yu-chun, Kun Wang, Jinzhong Tian, Peide Han

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  4. Pressure effect on the structural, electronic, and elastic properties and Debye temperature of Rh 3 Nb: first-principles calculations

    RSC Advances · 2016-01-01

    Chunyang Zhao, Xueye Wang, Jiayun Peng

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  5. Revealing the origin of the strong second harmonic generation of Li2CdXS4 and Li2CdXS4 (X = Ge or Sn)

    Journal of Applied Physics · 2016-03-04

    A.H. Reshak

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  6. Electronic structure and optical properties of noncentrosymmetric LiGaGe 2 Se 6 , a promising nonlinear optical material

    Physica B Condensed Matter · 2016-08-23

    Anatoliy A. Lavrentyev, B.V. Gabrelian, Tuan V. Vu, L.N. Ananchenko, L. I. Isaenko, Alexander Yèlisseyev, P. Krinitsin, Oleg Yu Khyzhun

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  7. Investigation of electronic structure and thermodynamic properties of quaternary Li-containing chalcogenide diamond-like semiconductors

    Semiconductor Science and Technology · 2016-11-11

    Khadidja Berarma, Zoulikha Charifi, F. Soyalp, Hakim Baaziz, Gokay Ugur, Şule Uğur

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  8. The structural, elastic and optical properties of ScM (M = Rh, Cu, Ag, Hg) intermetallic compounds under pressure by ab initio simulations

    International Journal of Computational Materials Science and Engineering · 2016-11-30

    Md. Lokman Ali, Md. Zahidur Rahaman, Md. Atikur Rahman

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  9. Electronic structure and optical properties of noncentrosymmetric LiGaSe 2 : Experimental measurements and DFT band structure calculations

    Optical Materials · 2017-02-10

    Anatoliy A. Lavrentyev, B.V. Gabrelian, Tuan V. Vu, L.N. Ananchenko, L. I. Isaenko, Alexander Yèlisseyev, Oleg Yu Khyzhun

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  10. Investigation of different physical aspects such as structural, mechanical, optical properties and Debye temperature of Fe2ScM (M=P and As) semiconductors: A DFT-based first principles study

    International Journal of Modern Physics B · 2018-02-14

    Md. Lokman Ali, Md. Zahidur Rahaman

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  11. Electronic structure and optical properties of LiGa0.5In0.5Se2 single crystal, a nonlinear optical mid-IR material

    Optical Materials · 2018-04-23

    Anatoliy A. Lavrentyev, B.V. Gabrelian, Tuan V. Vu, L. I. Isaenko, Alexander Yèlisseyev, Oleg Yu Khyzhun

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  12. First-principles investigation of structural, electronic, optical and thermodynamic properties of KAg2SbS4

    Computational Condensed Matter · 2019-02-02

    Saadi Berri, N. Bouarissa, Mouloud Oumertem, Sabah Chami

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  13. Structural, mechanical, electronic and thermodynamic properties of cubic TiC compounds under different pressures: A first-principles study

    Solid State Communications · 2020-03-06

    Fangfang Guo, Xilin Zhou, Guijin Li, Xiaohua Huang, Xue Li, Desheng Liu, Diyou Jiang

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  14. Theoretical prediction of structural, elastic and thermodynamic properties of transition metal monosilicides CrSi, TiSi and ZrSi under high pressure

    Materials Today Communications · 2020-03-06

    Shaobo Chen, Wanjun Yan, Ying Chen, Zhao-Yi Zeng, Yan Cheng

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  15. Crystal Growth, Thermal Treatment, and Characterization of Nonlinear Optical Crystal LiGa0.5In0.5Se2 for Mid-infrared Applications

    Inorganic Chemistry · 2023-05-08

    Xinyao Liu, Zihan Ma, Di Zhang, Guohong Tang, Wenrong Zhang, Jing Peng, Baojun Chen, Z. Y. He, Wei Huang

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  16. Tailoring the optoelectronic, thermoelectric, and thermodynamic properties of rare-earth quaternary chalcogenides: An inclusive first-principles study

    Materials Today Communications · 2023-12-12

    Muhammad Salman Khan, Banat Gul, Ghlamallah Benabdellah, Bashir Ahmad, Munirah D. Albaqami, Saikh Mohammad Wabaidur, Hijaz Ahmad

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  17. Structural stability, large optical absorption, and high-performance thermoelectric transport in quaternary diamond-like K2VCuX4 (X = S, Te) semiconductors

    Computational Condensed Matter · 2026-08-07

    Saadi Berri, Ayache Mebarek Azzem, Çağatay Yamçıçıer, Sabah Chami

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  18. Diamond-like quaternary chalcogenides A2VAgS4 (A = K, Rb, Cs) as earth-abundant candidates for near-room-temperature thermoelectric waste-heat recovery: a first-principles study

    Computational Condensed Matter · 2026-09-29

    Saadi Berri, Ayache Mebarek Azzem, Çağatay Yamçıçıer, Sabah Chami

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