First-principles calculations of uniaxial strain effects on manganese in silicon

被引：0
|
作者：
Yabuuchi, Shin [1 ]
Ohta, Eiji [1 ]
Kageshima, Hiroyuki [2 ]
机构：
[1] Department of Applied Physics and Physico-Informatics, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama 223-8522, Japan
[2] NTT Basic Research Laboratories, NTT Corporation, 3-1 Morinosato-Wakamiya, Atsugi, Kanagawa 243-0198, Japan
来源：
Japanese Journal of Applied Physics | 2008年 / 47卷 / 01期
关键词：
Uniaxial strain effects on manganese in silicon are investigated using the first-principles calculations. Manganese doping is shown to enhance the increase rate of vertical strain as a function of lateral strain by ∼10%. The formation energy of manganese in silicon decreases by 0.1 eV at a lateral strain of 3.3%. The magnetic moments of manganese remain at 3μB being independent of the strain magnitude. These results are found in both substitutional and interstitial tetrahedral manganese. An analysis of detailed calculation results reveals that these properties are realized by the impact of uniaxial strain on the electronic states of manganese. ©2008 The Japan Society of Applied Physics;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
Journal article (JA)
引用
收藏
页码：26 / 30
相关论文
共 50 条
  • [31] SPIN-ORBIT COUPLING IN GRAPHENE UNDER UNIAXIAL STRAIN: TIGHT-BINDING APPROACH AND FIRST-PRINCIPLES CALCULATIONS
    Gong, Baihua
    Zhang, Xin-Hui
    Zhang, Er-Hu
    Zhang, Sheng-Li
    MODERN PHYSICS LETTERS B, 2011, 25 (11): : 823 - 830
  • [32] First-principles calculations for effects of Fluorine impurity in GaN
    Lu, Jing
    Gao, Mingzhi
    Zhang, Jinyu
    Wang, Yan
    Yu, Zhiping
    SISPAD: 2008 INTERNATIONAL CONFERENCE ON SIMULATION OF SEMICONDUCTOR PROCESSES AND DEVICES, 2008, : 233 - 236
  • [33] A first-principles study on uniaxial strain effects of nonplanar oxygen-functionalized armchair graphene nanoribbons
    Qu, Li-Hua
    Zhang, Jian-Min
    Xu, Ke-Wei
    Ji, Vincent
    JOURNAL OF ALLOYS AND COMPOUNDS, 2015, 631 : 219 - 224
  • [34] Effects of Uniaxial Tensile Strain on Mechanical Properties of Al6MgNb: A First-Principles Study
    Zhang, Lihua
    Li, Jijun
    Zhang, Jing
    Liu, Yanjie
    Lin, Lin
    CRYSTALS, 2023, 13 (10)
  • [35] Glide dislocations in diamond: first-principles calculations of similarities with and differences from silicon and the effects of hydrogen
    Heggie, MI
    Ewels, CP
    Martsinovich, N
    Scarle, S
    Jones, R
    Goss, JP
    Hourahine, B
    Briddon, PR
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2002, 14 (48) : 12689 - 12696
  • [36] First-principles calculations of mechanical and electronic properties of silicene under strain
    Qin, Rui
    Wang, Chun-Hai
    Zhu, Wenjun
    Zhang, Yalin
    AIP ADVANCES, 2012, 2 (02)
  • [37] Influence of epitaxial strain on the ferromagnetic semiconductor EuO: First-principles calculations
    Ingle, N. J. C.
    Elfimov, I. S.
    PHYSICAL REVIEW B, 2008, 77 (12):
  • [38] SURFACE ENERGY ENGINEERING OF Cu SURFACE BY STRAIN: FIRST-PRINCIPLES CALCULATIONS
    He, L.
    Liu, Y. W.
    Tong, W. J.
    Lin, J. G.
    Wang, X. F.
    SURFACE REVIEW AND LETTERS, 2013, 20 (06)
  • [39] Comment on "Band structure engineering of graphene by strain: First-principles calculations"
    Farjam, M.
    Rafii-Tabar, H.
    PHYSICAL REVIEW B, 2009, 80 (16)
  • [40] First-principles calculations of helium and neon desorption from cavities in silicon
    Eddin, A. Charaf
    Pizzagalli, L.
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2012, 24 (17)
12345