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RESEARCH PAPER · Solid State Communications · 2012

Electronic properties and structural phase transition in A4 [M4O4] (A=Li, Na, K and Rb; M=Ag and Cu): A first principles study

Ramisetty Umamaheswari, M. Yogeswari, G. Kalpana

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Electronic properties and structural phase transition in A4 [M4O4] (A=Li, Na, K and Rb; M=Ag and Cu): A first principles studyOriginalAb-initio investigation of half-metallic ferromagnetism in half-Heusler compounds XYZ (X=Li, Na, K and Rb; Y=Mg, Ca, Sr and Ba; Z=B, Al and Ga)78Structural, elastic, electronic, chemical bonding and optical properties of Cu-based oxides ACuO (A=Li, Na, K and Rb): An ab initio study86First-Principles Calculation of structural, electronic and magnetic properties of half-Heusler LiCaC and NaCaC compounds26Stability, electronic, magnetic and pressure effect of half-Heusler alloys CNaCa and SiNaCa: A first-principles study50Theoretical investigations of half-metallic ferromagnetism in new Half–Heusler YCrSb and YMnSb alloys using first-principle calculations24Turning copper metal into a Weyl semimetal6First principles study of structural, mechanical and electronic properties of the ternary alkali metal oxides KNaO and RbNaO6Efficient topological materials discovery using symmetry indicators204Scattering lifetime and high figure of merit in CsAgO predicted by methods beyond relaxation time approximation1Structural transition and anisotropic magnetism in disordered Zintl phase Eu7Ga6Sb82Ab initio investigation of structural, elastic, and thermodynamic characteristics of tetragonal XAgO compounds (X = Li, Na, K, Rb)30MnNiSi Half-Heusler Alloy: Computational and experimental insights for energy harvesting and spintronic applications16

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  1. Ab-initio investigation of half-metallic ferromagnetism in half-Heusler compounds XYZ (X=Li, Na, K and Rb; Y=Mg, Ca, Sr and Ba; Z=B, Al and Ga)

    Journal of Magnetism and Magnetic Materials · 2013-09-17

    Ramisetty Umamaheswari, M. Yogeswari, G. Kalpana

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  2. Structural, elastic, electronic, chemical bonding and optical properties of Cu-based oxides ACuO (A=Li, Na, K and Rb): An ab initio study

    Computational Materials Science · 2013-09-30

    Abdelmadjid Bouhemadou, O. Boudrifa, Nacir Guechi, R. Khenata, Yarub Al-Douri, Şule Uğur, Brahim Ghebouli, Saad Bin-Omran

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  3. First-Principles Calculation of structural, electronic and magnetic properties of half-Heusler LiCaC and NaCaC compounds

    Physica B Condensed Matter · 2014-02-25

    Ramisetty Umamaheswari, D. Vijayalakshmi, G. Kalpana

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  4. Stability, electronic, magnetic and pressure effect of half-Heusler alloys CNaCa and SiNaCa: A first-principles study

    Superlattices and Microstructures · 2014-07-03

    Xiao‐Ping Wei, Yan-Dong Chu, Xiao-Wei Sun, Jian-Bo Deng, Xing Yong-Zhong

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  5. Theoretical investigations of half-metallic ferromagnetism in new Half–Heusler YCrSb and YMnSb alloys using first-principle calculations

    Chinese Physics B · 2016-09-23

    M. A. Sattar, Muhammad Rashid, M. Raza Hashmi, Shabir Ahmad, Muhammad Imran, Fayyaz Hussain

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  6. Turning copper metal into a Weyl semimetal

    Physical review. B./Physical review. B · 2018-06-05

    Yongping Du, Erjun Kan, Hu Xu, Sergey Yu. Savrasov, Xiangang Wan

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  7. First principles study of structural, mechanical and electronic properties of the ternary alkali metal oxides KNaO and RbNaO

    Chemical Physics Letters · 2018-07-07

    Rafik Belghit, Hafid Belkhir, D. Heciri, M. Bououdina, M. T. Kadri, Rajeev Ahuja

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  8. Efficient topological materials discovery using symmetry indicators

    Nature Physics · 2019-02-11

    Feng Tang, Hoi Chun Po, Ashvin Vishwanath, Xiangang Wan

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  9. Scattering lifetime and high figure of merit in CsAgO predicted by methods beyond relaxation time approximation

    Journal of Physics Condensed Matter · 2022-05-09

    Vineet Kumar Sharma, V. Kanchana, Mayanak K. Gupta, R. Mittal

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  10. Structural transition and anisotropic magnetism in disordered Zintl phase Eu7Ga6Sb8

    Physical Review Materials · 2023-09-15

    Matthew S. Cook, Elizabeth A. Peterson, C Girod, Ashley Weiland, Jian‐Xin Zhu, Joe D. Thompson, Sean M. Thomas, Priscila F. S. Rosa

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  11. Ab initio investigation of structural, elastic, and thermodynamic characteristics of tetragonal XAgO compounds (X = Li, Na, K, Rb)

    Physica Scripta · 2023-09-21

    Djamel Allali, Rabie Amari, Abdelmadjid Bouhemadou, Ammar Boukhari, Bahri DEGHFEL, Saber Sâad Essaoud, Saad Bin-Omran, Missoum Radjai, R. Khenata, Yarub Al-Douri

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  12. MnNiSi Half-Heusler Alloy: Computational and experimental insights for energy harvesting and spintronic applications

    Chemical Physics Impact · 2025-05-28

    S S Beenaben, Radha Sankararajan, Srinivasan Manickam, K KlintonBrito, M. Prasath

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