Structural, electronic, and magnetic properties of Mn-Doped InP nanowire

被引：9
|
作者：
Srivastava, Pankaj [1 ]
Kumar, Avaneesh [1 ]
Jaiswal, Neeraj K. [2 ]
机构：
[1] ABV Indian Inst Informat Technol & Management III, Nanomat Res Grp, Gwalior 474015, India
[2] Indian Inst Informat Technol Design & Mfg, Discipline Phys, Jabalpur 482005, MP, India
来源：
SUPERLATTICES AND MICROSTRUCTURES | 2016年 / 92卷
关键词：
InP nanowire; Zinc blende; DFT calculation; Mn doping; III-V; SEMICONDUCTOR; GROWTH;
D O I：
10.1016/j.spmi.2016.01.039
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
In the present work, we investigate structural stability, electronic and magnetic properties of InP nanowire (NW) oriented along (111) direction and doped with Mn using first principles calculations. Structural analysis revealed that incorporation of Mn atom in NW geometry results in strong reconstructions of surface atoms relative to core atoms. For single Mn-doped NW, partially filled d orbital of Mn atom results in magnetic semi-conducting behavior due to non-degenerate electronic band-gap (similar to 0.1 eV). We have further considered the effect of Mn-Mn coupling on the electronic/magnetic properties of InP NW. Anti-ferromagnetic coupling state is observed as most favorable state based on total energy calculations. A half-metallic ferromagnetic coupling is also observed in case of Mn-pair doped at sub-surface of NW. The present results predict that the system doped with Mn pair between surface and core region are energetically more favorable than others. (C) 2016 Elsevier Ltd. All rights reserved.
引用
收藏
页码：134 / 142
页数：9
相关论文
共 50 条
  • [1] Electronic and magnetic properties of Mn-doped InP nanowires from first principles
    Schmidt, T. M.
    Venezuela, P.
    Arantes, J. T.
    Fazzio, A.
    PHYSICAL REVIEW B, 2006, 73 (23)
  • [2] Structural, electronic and magnetic properties of Mn-doped GaAs(110) surface
    Stroppa, A.
    NUOVO CIMENTO DELLA SOCIETA ITALIANA DI FISICA C-COLLOQUIA ON PHYSICS, 2006, 29 (03): : 315 - 324
  • [3] The electronic and magnetic properties of Mn-doped GaN
    Kang, J
    Chang, KJ
    PHYSICA B-CONDENSED MATTER, 2006, 376 : 635 - 638
  • [4] Structural And Magnetic Properties Of Mn-Doped SiC
    Takano, Fumiyoshi
    Wang, Wenhong
    Ofuchi, Hironori
    Ohshima, Takeshi
    Akinaga, Hiro
    PHYSICS OF SEMICONDUCTORS, 2009, 1199 : 443 - +
  • [5] Magnetic and electronic transport properties of Mn-doped silicon
    Ma, S. B.
    Sun, Y. P.
    Zhao, B. C.
    Tong, P.
    Zhu, X. B.
    Song, W. H.
    SOLID STATE COMMUNICATIONS, 2006, 140 (3-4) : 192 - 196
  • [6] Structural and magnetic properties of Mn-doped ZnO nanocrystals
    Bououdina, M.
    Omri, K.
    El-Hilo, M.
    El Amiri, A.
    Lemine, O. M.
    Alyamani, A.
    Hlil, E. K.
    Lassri, H.
    El Mir, L.
    PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 2014, 56 : 107 - 112
  • [7] Structural and magnetic properties of Mn-doped ZnO powders
    El-Hilo, M.
    Dakhel, A. A.
    JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2011, 323 (16) : 2202 - 2205
  • [8] Structural, electronic, and magnetic properties of Mn-doped Ge nanowires by ab initio calculations
    Arantes, J. T.
    da Silva, Antonio J. R.
    Fazzio, A.
    PHYSICAL REVIEW B, 2007, 75 (11):
  • [9] Structural, electronic and magnetic properties of Mn-doped and vacancy-doped 2D LiZnP
    Tao, Hualong
    Su, Linlin
    Wang, Mengxia
    He, Ming
    Song, Bo
    Lin, Long
    Zhang, Zhihua
    JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2018, 458 : 129 - 133
  • [10] Structural, electronic and magnetic properties of Fe, Co, Mn-doped GaN and ZnO diluted magnetic semiconductors
    Alsaad, A.
    PHYSICA B-CONDENSED MATTER, 2014, 440 : 1 - 9
12345