First-principles calculations of K2SeO4 dielectrics

被引：0
|
作者：
Caracas, R [1 ]
Gonze, X [1 ]
机构：
[1] Catholic Univ Louvain, Unite PhysicoChim & Phys Mat, B-1348 Louvain, Belgium
来源：
FUNDAMENTAL PHYSICS OF FERROELECTRICS 2003 | 2003年 / 677卷
关键词：
D O I：
暂无
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We study from first principles the groundstate properties of the high-symmetry phases of K2SeO4: two ideal ordered high-temperature hexagonal ones and an orthorhombic one. We analyze in detail the dielectric properties of these phases and discuss certain aspects of the zone-center dynamical properties.
引用
收藏
页码：186 / 195
页数：10
相关论文
共 50 条
  • [21] ON HEXAGONAL PEDIGREE OF SOFT MODE IN K2SEO4
    TORGASHEV, VI
    FERROELECTRICS, 1992, 125 (1-4) : 135 - 140
  • [22] STRUCTURAL PHASE-TRANSFORMATION IN K2SEO4
    IIZUMI, M
    AXE, JD
    SHIRANE, G
    SHIMAOKA, K
    PHYSICAL REVIEW B, 1977, 15 (09): : 4392 - 4411
  • [23] DIE KRISTALLSTRUKTUREN VON K2SEO4, RB2SEO4 UND CS2SEO4
    GATTOW, G
    ACTA CRYSTALLOGRAPHICA, 1962, 15 (APR): : 419 - &
  • [24] Thermodynamic study on aqueous solutions of (NH4)2SeO4 and K2SeO4 at 298.15 K
    Ojkova, T
    Christov, C
    Mihov, D
    MONATSHEFTE FUR CHEMIE, 1999, 130 (09): : 1061 - 1065
  • [25] Phenomenological description of the acoustic phonon branch of K2SeO4
    Sannikov, DG
    Ama, HM
    FERROELECTRICS, 2004, 302 : 393 - 396
  • [26] ANALYSIS OF ANOMALOUS BRILLOUIN-SCATTERING IN K2SEO4
    HORIKX, JJL
    ARTS, AFM
    DIJKHUIS, JI
    DEWIJN, HW
    JOURNAL OF PHYSICS-CONDENSED MATTER, 1989, 1 (33) : 5767 - 5772
  • [27] LATTICE-DYNAMICS OF COMMENSURATE AND INCOMMENSURATE K2SEO4
    AXE, JD
    IIZUMI, M
    SHIRANE, G
    PHYSICAL REVIEW B, 1980, 22 (07): : 3408 - 3413
  • [28] A STRUCTURAL STUDY OF THE PHASE-TRANSITION IN K2SEO4
    YAMADA, N
    IKEDA, T
    FERROELECTRICS, 1984, 53 (1-4) : 323 - 326
  • [29] ELASTIC BEHAVIOR OF K2SEO4 IN COMMENSURABLE AND INCOMMENSURABLE PHASE
    REHWALD, W
    VONLANTHEN, A
    KRUEGER, JK
    WALLERIUS, R
    HELVETICA PHYSICA ACTA, 1980, 53 (02): : 247 - 247
  • [30] ABINITIO STUDIES OF THE PHASE-TRANSITIONS IN K2SEO4
    LU, HM
    HARDY, JR
    PHYSICAL REVIEW B, 1990, 42 (13): : 8339 - 8350
12345