Band-by-band decompositions of the Born effective charges

被引：24
|
作者：
Ghosez, P
Gonze, X
机构：
[1] Univ Liege, Dept Phys, B-4000 Sart Tilman Par Liege, Belgium
[2] Catholic Univ Louvain, Unite Phys Chim & Phys Mat, B-1348 Louvain, Belgium
来源：
JOURNAL OF PHYSICS-CONDENSED MATTER | 2000年 / 12卷 / 43期
关键词：
D O I：
10.1088/0953-8984/12/43/308
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
The Born effective charge, Z*, that describes the polarization created by collective atomic displacements, can be computed from first principles following different techniques. We establish the connections existing between these different formulations, and analyse the related band-by-band decompositions. We show that unlike for the full Z*, the different band-by-band values are not equal, and emphasize that one of them has a natural physical meaning in terms of Wannier functions.
引用
收藏
页码：9179 / 9188
页数：10
相关论文
共 50 条
  • [21] Polarimetric Decompositions of Temperate Wetlands at C-Band
    Brisco, Brian
    Ahern, Frank
    Hong, Sang-Hoon
    Wdowinski, Shimon
    Murnaghan, Kevin
    White, Lori
    Atwood, Donald K.
    [J]. IEEE JOURNAL OF SELECTED TOPICS IN APPLIED EARTH OBSERVATIONS AND REMOTE SENSING, 2015, 8 (07) : 3585 - 3594
  • [22] High sensitivity Cavity Ring Down Spectroscopy of N2O near 1.22 μm: (I) Rovibrational assignments and band-by-band analysis
    Karlovets, E. V.
    Campargue, A.
    Kassi, S.
    Perevalov, V. I.
    Tashkun, S. A.
    [J]. JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER, 2016, 169 : 36 - 48
  • [23] Born Effective Charges and Piezoelectric Coefficients of BiXO3
    Okuno, Yukihiro
    Sakashita, Yukio
    [J]. JAPANESE JOURNAL OF APPLIED PHYSICS, 2009, 48 (09) : 09KF041 - 09KF044
  • [24] The Sinaloa is born: History of band music.
    Sheehy, Daniel
    [J]. LATIN AMERICAN MUSIC REVIEW-REVISTA DE MUSICA LATINOAMERICANA, 2006, 27 (02): : 220 - 224
  • [25] M-band nonlinear subband decompositions with perfect reconstruction
    Hampson, FJ
    Pesquet, JC
    [J]. IEEE TRANSACTIONS ON IMAGE PROCESSING, 1998, 7 (11) : 1547 - 1560
  • [26] Born effective charge reversal and metallic threshold state at a band insulator-Mott insulator transition
    N. Gidopoulos
    S. Sorella
    E. Tosatti
    [J]. The European Physical Journal B - Condensed Matter and Complex Systems, 2000, 14 : 217 - 226
  • [27] Born effective charge reversal and metallic threshold state at a band insulator-Mott insulator transition
    Gidopoulos, N
    Sorella, S
    Tosatti, E
    [J]. EUROPEAN PHYSICAL JOURNAL B, 2000, 14 (02): : 217 - 226
  • [28] Born effective charges and vibrational spectra in superconducting and bad conducting metals
    Marchese G.
    Macheda F.
    Binci L.
    Calandra M.
    Barone P.
    Mauri F.
    [J]. Nature Physics, 2024, 20 (1) : 88 - 94
  • [29] Anomalously large Born effective charges in cubic WO3
    Detraux, F
    Ghosez, P
    Gonze, X
    [J]. PHYSICAL REVIEW B, 1997, 56 (03): : 983 - 985
  • [30] THE RELATION BETWEEN THE ELECTRONEGATIVITIES OF ATOMS AND THE VALENCY ELECTRON BAND CHARGES
    BYKOV, GV
    [J]. ZHURNAL FIZICHESKOI KHIMII, 1957, 31 (02): : 501 - 504
12345