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Иш: Ab initio insights into the physical properties of cubic CeFeO3 perovskite

  1. The Compressibility of Media under Extreme Pressures

    F. D. Murnaghan

    Мақола194434 иқтибос
    ABI

  2. A density functional theory study of the structural, mechanical, optoelectronics and thermoelectric properties of InGeX3 (X = F, Cl) perovskites

    Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +3

    Мақола202418 иқтибос
    ABI

  3. A DFT exploration of the optoelectronic and thermoelectric features of a novel halide double perovskite A<sub>2</sub>YAuI<sub>6</sub> (A = Rb, Cs) for solar cell and renewable energy applications

    Abrar Nazir, Aparna Dixit, Ejaz Ahmad Khera +3

    Мақола202415 иқтибос
    ABI

  4. New tolerance factor to predict the stability of perovskite oxides and halides

    Christopher J. Bartel, Christopher Sutton, Bryan R. Goldsmith +4

    Мақола201914 иқтибос
    ABI

  5. Computational Prediction of Structural, Optoelectronic, Thermodynamic, and Thermoelectric Response of the Cubic Perovskite RbTmCl<sub>3</sub> via DFT‐mBJ + SOC Studies

    Ejaz Ahmad Khera, Abrar Nazir, Zubair Ahmed +5

    Мақола202410 иқтибос
    ABI

  6. DFT insights for thermoelectric characteristics of Sr3AsI3 for energy harvesting applications by TB-mBJ studies

    Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +6

    МақолаAdvanced Thermoelectric Materials and DevicesInorganic Chemistry Communications20248 иқтибос
    ABI

  7. Non-empirical improvement of PBE and its hybrid PBE0 for general description of molecular properties

    Jorge M. del Campo, José L. Gázquez, S. B. Trickey +1

    Мақола20127 иқтибос
    ABI

  8. High spin polarization and half-metallic ferromagnetism in novel Half–Heusler FeCrX (X = S, Se and Te) alloys using first-principles calculations

    Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +2

    Мақола20247 иқтибос
    ABI

  9. A DFT Insight on the physical, optoelectronic and thermoelectric characteristics of half-Heusler NaZn(N/P) compounds for power generation applications

    Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +4

    Мақола20256 иқтибос
    ABI

  10. Improving the modified Becke-Johnson exchange potential

    Dávid Koller, Fabien Tran, Peter Blaha

    Мақола20125 иқтибос
    ABI

  11. Generalized gradient approximation for the exchange-correlation hole of a many-electron system

    John P. Perdew, Kieron Burke, Yue Wang

    Мақола19965 иқтибос
    ABI

  12. A review of emerging non-volatile memory (NVM) technologies and applications

    An Chen

    Шарҳ мақола20163 иқтибос
    ABI

  13. High-throughput electronic band structure calculations: Challenges and tools

    Wahyu Setyawan, Stefano Curtarolo

    Мақола20103 иқтибос
    ABI

  14. Stabilizing Perovskite Structures by Tuning Tolerance Factor: Formation of Formamidinium and Cesium Lead Iodide Solid-State Alloys

    Zhen Li, Mengjin Yang, Ji‐Sang Park +3

    Мақола20153 иқтибос
    ABI

  15. Recent progress of perovskite-based electrolyte materials for solid oxide fuel cells and performance optimizing strategies for energy storage applications

    Muhammad Bilal Hanif, Sajid Rauf, Martin Motola +4

    Мақола20213 иқтибос
    ABI

  16. Control of Doping by Impurity Chemical Potentials: Predictions for<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="italic">p</mml:mi></mml:math>-Type ZnO

    Yanfa Yan, Shengbai Zhang, Sokrates T. Pantelides

    Мақола20013 иқтибос
    ABI

  17. Ab Initio Study of Electronic Structure, Elastic and Transport Properties of Fluoroperovskite LiBeF3

    H. Benmhidi, H. Rached, D. Rached +1

    Мақола20162 иқтибос
    ABI

  18. Elastic constants of cubic crystals

    M. Jamal, S. Jalali-Asadabadi, Iftikhar Ahmad +1

    Мақола20142 иқтибос
    ABI

  19. DFT-Mbj Study of Electronic and Magnetic Properties of Cubic Cecro3 Compound: An Ab-Initio Investigation

    Md. Mamun Or Rashid, M. A. Iqbal, N. A. Noor

    Мақола20172 иқтибос
    ABI

  20. Structural, thermodynamics, optical, electronic, magnetic and thermoelectric properties of Heusler Ni2MnGa: An ab initio calculations

    I. Ait Elkoua, R. Masrour

    Мақола20222 иқтибос
    ABI

  21. Effect of L21 and XA ordering on structural, martensitic, electronic, magnetic, elastic, thermal and thermoelectric properties of Co2FeGe Heusler alloys

    M.Y. Raïâ, R. Masrour, M. Hamedoun +5

    Мақола20222 иқтибос
    ABI

  22. First-principle investigation of LiSrX (X=P and As) half-Heusler semiconductor compounds

    A. Azouaoui, A. Harbi, M. Moutaabbid +7

    Мақола20222 иқтибос
    ABI

  23. Structural, Electronic, Magnetic, Elastic, Thermoelectric, and Thermal Properties of Co2FeGa1−xSix Heusler Alloys: First-Principles Calculations

    M.Y. Raïâ, R. Masrour, M. Hamedoun +5

    Мақола20222 иқтибос
    ABI

  24. Diluted effect on the structural, magnetic, electronic, thermodynamic, optical and thermoelectric properties of the Heusler alloys Co2Fe1−xTixGa: GGA and GGA + U approaches

    M.Y. Raïâ, R. Masrour, M. Hamedoun +5

    Мақола20222 иқтибос
    ABI

  25. Structural stability, electronic, magnetic, elastic, thermal, thermoelectric and optical properties of L2<sub>1</sub> and xa phases of Ti<sub>2</sub>fege heusler compound: GGA and GGA+U methods

    M.Y. Raïâ, R. Masrour, M. Hamedoun +5

    Мақола20232 иқтибос
    ABI