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14 works

Work: BoltzTraP2, a program for interpolating band structures and calculating semi-classical transport coefficients

  1. Beyond metals: theoretical discovery of semiconducting MAX phases and their potential application in thermoelectrics

    Mohammad Khazaei, Iraj Maleki, Namitha Anna Koshi +11

    ArticleMXene and MAX Phase MaterialsPhysical Chemistry Chemical Physics20242 citations
    ABI

  2. First-principles investigation of the electronics, optical, mechanical, thermodynamics and thermoelectric properties of Na based Quaternary Heusler alloys (QHAs) NaHfXGe (X = Co, Rh, Ir)

    R. Zosiamliana, Lalrin Kima, Zodin Mawia +3

    ArticleHeusler alloys: electronic and magnetic propertiesJournal of Physics Condensed Matter20231 citations
    ABI

  3. Optoelectronic and thermoelectric analysis of halide stable double perovskite Rb2TlSbX6 (X = Cl, Br, I) via DFT calculations

    Tasawer Shahzad Ahmad, Nimra Ehsan, Maryam Liaqat +11

    ArticlePerovskite Materials and ApplicationsResults in Physics20241 citations
    ABI

  4. High thermoelectric and opto-electronic properties of Ba3NX3 (X=F, Cl) perovskite: Insights from DFT computation

    Amnah Mohammed Alsuhaibani, Amina, Fida Rehman +10

    ArticlePerovskite Materials and ApplicationsRadiation Physics and Chemistry20241 citations
    ABI

  5. Structural, electronic and thermoelectric properties of boron phosphorous nitride B<sub>2</sub>PN <i>via</i> first principles study

    Amina, Samah Al-Qaisi, A.M. Quraishi +11

    Article2D Materials and ApplicationsRSC Advances20241 citations
    ABI

  6. Structural, electronic, mechanical, optical and thermoelectric properties of double perovskites A2CuAlCl6 (A=Cs, Rb, K) with direct bandgap using DFT study

    Tasawer Shahzad Ahmad, Nimra Ehsan, S. M. Sohail Gilani +9

    ArticlePerovskite Materials and ApplicationsMaterials Chemistry and Physics20251 citations
    ABI

  7. Investigation of structural, mechanical, optoelectronic and thermoelectric features of Rb2Na1-xBxScI6 (B = Cu and Ag; x = 0, 0.25), for renewable energy applications

    Salman Ahmed, Ghalib ul Islam, Mohammad Nasir +7

    ArticlePerovskite Materials and ApplicationsSolid State Communications20261 citations
    ABI

  8. First principles insight into Cs<sub>2</sub>YZnX<sub>6</sub> (X = Br, I) double perovskite materials for optoelectronic and thermoelectric device applications

    Abid Zaman, Salhah Hamed Alrefaee, Muawya Elhadi +8

    ArticlePerovskite Materials and ApplicationsPhysical Chemistry Chemical Physics20251 citations
    ABI

  9. Electronic, magnetic, optical and thermoelectric properties of co-doped Sn<sub>1−2<i>x</i></sub>Mn<sub><i>x</i></sub>A<sub><i>x</i></sub>O<sub>2</sub>(A = Mo, Tc): a first principles insight

    S. Laghzaoui, A. Fakhim Lamrani, R. Ahl Laamara +4

    ArticleZnO doping and propertiesRSC Advances20220 citations
    ABI

  10. Pressure-sensitive germanate glass-Li <sub>2</sub> GeO <sub>3</sub> , a multifunctional energy material: a theoretical study

    R. Zosiamliana, L. Celestine, Lalhriat Zuala +6

    ArticleFerroelectric and Piezoelectric MaterialsHigh Pressure Research20240 citations
    ABI

  11. Comprehensive review of MAX phase and MXene materials: synthesis, properties, and applications

    C. B. Subba, Dibya Prakash Rai, Mukhriddin E. Tursunov +2

    ArticleMXene and MAX Phase MaterialsCarbon letters20250 citations
    ABI

  12. Comprehensive first-principles investigation of electronic, optical, thermoelectric, and mechanical properties of Cs₂ZAuF₆ (Z = In, Tl) double perovskites for sustainable energy conversion

    Sarika Bajpai, Ali B.M. Ali, Preeti Kumari +6

    ArticleHeusler alloys: electronic and magnetic propertiesPolyhedron20250 citations
    ABI

  13. Unveiling the structural stability, optoelectronic and thermoelectric features of NaXI <sub>3</sub> (X=Sr, Be) halide perovskite for optoelectronic and green energy technology

    Yüjia Luo, Qiong Peng, Abrar Nazir +9

    ArticlePerovskite Materials and ApplicationsInternational Journal of Modern Physics B20250 citations
    ABI

  14. Comprehensive Review of MAX Phase and MXene Materials: Synthesis, Properties and Applications

    C. B. Subba, Dibya Prakash Rai, Mukhriddin E. Tursunov +2

    PreprintMXene and MAX Phase MaterialsQeios20250 citations
    ABI