Ab initio calculations for the neutral and charged O vacancy in sapphire

被引：0
|
作者：
机构：
来源：
Physical Review B: Condensed Matter | / 56卷 / 12期
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 50 条
  • [1] Ab initio calculations for the neutral and charged O vacancy in sapphire
    Xu, YN
    Gu, ZQ
    Zhong, XF
    Ching, WY
    PHYSICAL REVIEW B, 1997, 56 (12): : 7277 - 7284
  • [2] Ab initio calculations for the H-decorated neutral and charged oxygen vacancy in erbium oxide
    Mao, Wei
    Zhang, Liang
    Wilde, Markus
    Ogura, Shohei
    Chikada, Takumi
    Fukutani, Katsuyuki
    Matsuzaki, Hiroyuki
    Terai, Takayuki
    FUSION ENGINEERING AND DESIGN, 2019, 144 : 188 - 192
  • [3] Ab initio calculations of the energetics of the neutral Si vacancy defect
    Mercer, JL
    Nelson, JS
    Wright, AF
    Stechel, EB
    MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 1998, 6 (01) : 1 - 8
  • [4] The roles of charged and neutral oxidising species in silicon oxidation from ab initio calculations
    Szymanski, MA
    Stoneham, AM
    Shluger, A
    MICROELECTRONICS RELIABILITY, 2000, 40 (4-5) : 567 - 570
  • [5] Ab initio calculations of neutral and charged impurity centers of manganese and chromium in strontium titanate
    O. E. Kvyatkovskii
    Physics of the Solid State, 2012, 54 : 1397 - 1407
  • [6] Ab initio calculations of neutral and charged impurity centers of manganese and chromium in strontium titanate
    Kvyatkovskii, O. E.
    PHYSICS OF THE SOLID STATE, 2012, 54 (07) : 1397 - 1407
  • [7] Ab initio calculations of As-vacancy interactions in silicon
    Xie, JJ
    Chen, SP
    PROCEEDINGS OF THE FIFTH INTERNATIONAL SYMPOSIUM ON PROCESS PHYSICS AND MODELING IN SEMICONDUCTOR TECHNOLOGY, 1999, 99 (02): : 165 - 174
  • [8] Vibrational modes of negatively charged silicon-vacancy centers in diamond from ab initio calculations
    Londero, Elisa
    Thiering, Gergo
    Razinkovas, Lukas
    Gali, Adam
    Alkauskas, Audrius
    PHYSICAL REVIEW B, 2018, 98 (03)
  • [9] Raman spectroscopic features of the neutral vacancy in diamond from ab initio quantum-mechanical calculations
    Baima, Jacopo
    Zelferino, Alessandro
    Olivero, Paolo
    Erba, Alessandro
    Dovesi, Roberto
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 18 (03) : 1961 - 1968
  • [10] Alq3:: ab initio calculations of its structural and electronic properties in neutral and charged states
    Curioni, A
    Boero, M
    Andreoni, W
    CHEMICAL PHYSICS LETTERS, 1998, 294 (4-5) : 263 - 271
12345