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46 ta ish

Ish: Altermagnetism, giant ferroelectric polarization, and pronounced optical response in TiMnO3 perovskite

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

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

    Maqola201914 iqtibos
    ABI

  2. <i>Ab‐initio</i>simulations of materials using VASP: Density‐functional theory and beyond

    Jürgen Häfner

    Maqola200813 iqtibos
    ABI

  3. First-principles Phonon Calculations with Phonopy and Phono3py

    Atsushi Togo

    Maqola202212 iqtibos
    ABI

  4. Optoelectronic and thermoelectric properties of new lead-free K2NaSbZ6 (Z = Br, I) halide double-perovskites for clean energy applications: a DFT study

    Abderrazak Boutramine, Samah Al‐Qaisi, Saidi Samah +6

    Maqola20247 iqtibos
    ABI

  5. DFT Analysis of Ba2NbRhO6: A Promising Double Perovskite for Sustainable Energy Applications

    Soufyane Belhachi, Samah Al‐Qaisi, Saidi Samah +7

    Maqola20245 iqtibos
    ABI

  6. Strain-dependent structural, electronic, mechanical, optical and thermoelectric properties of Sr<sub>3</sub>NBr<sub>3</sub> perovskites for solar cell applications

    Amina, Naseem Akhter, Salhah Hamed Alrefaee +9

    MaqolaPerovskite Materials and ApplicationsPhysical Chemistry Chemical Physics20254 iqtibos
    ABI

  7. Computational Exploration of Structural, Elastic, Optoelectronic and Magnetic Properties of A2YHgCl6 (A = Cs, K) Using Enhanced Computational Techniques

    Kiran Riaz, Nidhal Drissi, Sahar Abdalla +7

    Maqola20254 iqtibos
    ABI

  8. Performance of the Vienna ab initio simulation package (VASP) in chemical applications

    Guangyu Sun, J. Kürti, Péter Rajczy +3

    Maqola20034 iqtibos
    ABI

  9. Altermagnetic lifting of Kramers spin degeneracy

    Juraj Krempaský, Libor Šmejkal, S. W. D’Souza +20

    Maqola20243 iqtibos
    ABI

  10. An extensive study of structural, electronic, optical, mechanical, and thermodynamic properties of inorganic oxide perovskite materials ScXO3 (X = Ga, In) for optoelectronic applications: A DFT study

    Muhammad Usman Ghani, Muhammad Junaid, Khalid Mujasam Batoo +2

    Maqola20243 iqtibos
    ABI

  11. First-principles study of spontaneous polarization in multiferroic<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi mathvariant="normal">Bi</mml:mi><mml:mi mathvariant="normal">Fe</mml:mi><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>

    Jeffrey B. Neaton, Claude Ederer, Umesh V. Waghmare +2

    Maqola20053 iqtibos
    ABI

  12. Unveiling ferroelectric and altermagnetic coexistence in multiferroic HfMnO<sub>3</sub> perovskite

    Abid Zaman, Salhah Hamed Alrefaee, Shirin Shomurotova +5

    MaqolaMultiferroics and related materialsRSC Advances20252 iqtibos
    ABI

  13. Electronic structure studies of the differences in ferroelectric behavior of batio<sub>3</sub>and PbTiO<sub>3</sub>

    R. E. Cohen, Henry Krakauer

    Maqola19922 iqtibos
    ABI

  14. Bulk Photovoltaic Effect at Visible Wavelength in Epitaxial Ferroelectric BiFeO<sub>3</sub> Thin Films

    Wei Ji, Kui Yao, Yung C. Liang

    Maqola20092 iqtibos
    ABI

  15. The ferroelectric and cubic phases in BaTiO <sub>3</sub> ferroelectrics are also antiferroelectric

    Qingsong Zhang, Tahir Çağın, William A. Goddard

    Maqola20062 iqtibos
    ABI

  16. Diversity of structural phases in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>A</mml:mi><mml:mi>Ge</mml:mi><mml:msub><mml:mi>X</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math> halides

    Yaorong Luo, Hao Tian, Li Xu +3

    Maqola20222 iqtibos
    ABI

  17. Mn-based noncollinear antiferromagnets and altermagnets

    Shaohai Chen, Dennis J. X. Lin, B C Lim +1

    Maqola20242 iqtibos
    ABI

  18. Crystal Chemistry and Design Principles of Altermagnets

    Chao-Chun Wei, Erick A. Lawrence, Alyssa Tran +1

    Sharh maqola20242 iqtibos
    ABI

  19. Fully Field‐Free Spin‐Orbit Torque Switching Induced by Spin Splitting Effect in Altermagnetic RuO<sub>2</sub>

    Zhuoyi Li, Zhe Zhang, Yuzhe Chen +11

    Maqola20252 iqtibos
    ABI

  20. Scaling behavior of magnetoresistance and Hall resistivity in the altermagnet CrSb

    Xinwen Peng, Yuzhi Wang, Shengnan Zhang +14

    Maqola20252 iqtibos
    ABI

  21. DFT-Machine Learning Joint Exploration of Transition Metal-Doped Ferroelectric BaTiO<sub>3</sub> for Electrocatalytic Hydrogen Evolution

    Haifa Qiu, Ming Yang, Haitao Huang

    Maqola20252 iqtibos
    ABI

  22. Impact of samarium on magnetic and optoelectronic properties of magnesium-based MgSm2X4 (X = S and Se) spinels for spintronics

    Nasir Rahman, Ahmed Azzouz‐Rached, Mudasser Husain +8

    Maqola20242 iqtibos
    ABI

  23. Comprehensive exploration of rare-earth chalcogenides: A DFT-based investigation into their optoelectronic, elastic, thermomechanical and magnetic properties for advanced functional and high-temperature applications

    Soufyane Belhachi, Saidi Samah, Sahar Abdalla +4

    Maqola20252 iqtibos
    ABI

  24. K<sub>2</sub><scp>AlInZ</scp><sub>6</sub> (Z = F, Cl, Br) Double Perovskites: Potential Candidates for Optoelectronic and Photovoltaic Devices

    Samah Saidi, Soufyane Belhachi, Sahar Abdalla +7

    Maqola20252 iqtibos
    ABI

  25. Coexistence of ferroelectricity and altermagnetism in wurtzite vanadium oxide: a first-principles study

    Abid Zaman, Salhah Hamed Alrefaee, Hifsa Shahid +5

    MaqolaMultiferroics and related materialsRSC Advances20261 iqtibos
    ABI