First-principle calculations of electronic and ferromagnetic properties of

被引:0
|
作者
Zerouali, Asmaa [1 ]
Mokaddem, Allel [2 ]
Doumi, Bendouma [3 ]
Dahmane, Fethallah [4 ]
Elkeurti, Mohammed [1 ]
Sayede, Adlane [5 ]
Tadjer, Abdelkader [6 ]
机构
[1] Univ Saida, Lab Etud Phys Chim, Saida 20000, Algeria
[2] USTHB, Fac Phys, Dept Mat & Components, Algiers, Algeria
[3] Dr Tahar Moulay Univ Saida, Dept Phys, Fac Sci, Saida 20000, Algeria
[4] Ctr Univ Tissemsilt, Inst Sci & Technol, Dept Sci Matiere, Tissemsilt 38000, Algeria
[5] Univ Artois, UMR CNRS 8181, UCCS, Fac Sci, Rue Jean Souvraz,SP 18, F-62307 Lens, France
[6] Djillali Liabes Univ Sidi Bel Abbes, Dept Phys, Modelling & Simulat Mat Sci Lab, Sidi Bel Abbes 22000, Algeria
关键词
Al1-xVxSb; DFT; Electronic structures; Half-metallic Ferromagnetism; HALF-METALLIC FERROMAGNETISM; MAGNETIC SEMICONDUCTORS; 1ST PRINCIPLES; TE ALLOYS; CR; SPINTRONICS; SPIN; DESIGN; ALSB; GAP;
D O I
10.1007/s10825-016-0912-4
中图分类号
TM [电工技术]; TN [电子技术、通信技术];
学科分类号
0808 ; 0809 ;
摘要
We have used the first-principle calculations of density functional theory within full-potential linearized augmented plane-wave method to investigate the electronic and ferromagnetic properties of alloys. The electronic structures of and exhibit a half-metallic ferromagnetic character with spin polarization of 100 %. The total magnetic moment per V atom for each compound is integral Bohr magneton of 2 , confirming the half-metallic feature of . Therefore, these materials are half-metallic ferromagnets useful for possible spintronics applications.
引用
收藏
页码:1255 / 1262
页数:8
相关论文
共 50 条
  • [1] First-principle calculations of electronic and dynamical properties of GeSn
    Ugur, G.
    Soyalp, F.
    Ugur, S.
    [J]. SIX INTERNATIONAL CONFERENCE OF THE BALKAN PHYSICAL UNION, 2007, 899 : 666 - 666
  • [2] First-principle calculations of electronic and positronic properties of AlGaAS2
    Laref, S.
    Mecabih, S.
    Abbar, B.
    Bouhafs, B.
    Laref, A.
    [J]. PHYSICA B-CONDENSED MATTER, 2007, 396 (1-2) : 169 - 176
  • [3] First-principle calculations to investigate electronic and optical properties of MgO monolayer
    Al-Douri, Y.
    Al Saadi, Mohammed A. M.
    [J]. MATERIALS EXPRESS, 2019, 9 (02) : 166 - 172
  • [4] Electronic properties of the FeSe/STO interface from first-principle calculations
    Linscheid, A.
    [J]. SUPERCONDUCTOR SCIENCE & TECHNOLOGY, 2016, 29 (10):
  • [5] Prospects for first-principle calculations of scintillator properties
    Derenzo, SE
    Weber, MJ
    [J]. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT, 1999, 422 (1-3): : 111 - 118
  • [6] First-principle calculations of structural, electronic, optical and thermodynamical properties of fluorinated graphene
    Kumar, V
    Santosh, R.
    [J]. MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS, 2019, 246 : 127 - 135
  • [7] Elastic properties and electronic structures of NaAlSi ternary obtained with first-principle calculations
    Qin, Jining
    Lu, Weijie
    Zhang, Di
    Fan, Tongxiang
    [J]. MATERIALS RESEARCH INNOVATIONS, 2015, 19 : 343 - 348
  • [8] First-principle calculations of the cohesive energy and the electronic properties of PbTiO3
    Hosseini, S. M.
    Movlarooy, T.
    Kompany, A.
    [J]. PHYSICA B-CONDENSED MATTER, 2007, 391 (02) : 316 - 321
  • [9] Electronic and magnetic properties of Fe-doped GaN: first-principle calculations
    Abdalla, Adam S.
    Khan, Muhammad Sheraz
    Alameen, Suliman
    Eisa, Mohamed Hassan
    Aldaghri, Osamah
    [J]. ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 2021, 76 (03): : 245 - 251
  • [10] First-principle calculations of structural, electronic, optical and thermal properties of hydrogenated graphene
    Kumar, V.
    Santosh, R.
    Chandra, S.
    [J]. MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS, 2017, 226 : 64 - 71