CALCULATED QUASI-PARTICLE BAND-GAP OF BETA-C3N4

被引：118
作者：
CORKILL, JL
COHEN, ML
机构：
[1] UNIV CALIF BERKELEY, DEPT PHYS, BERKELEY, CA 94720 USA
[2] LAWRENCE BERKELEY LAB, DIV MAT SCI, BERKELEY, CA 94720 USA
来源：
PHYSICAL REVIEW B | 1993年 / 48卷 / 23期
关键词：
D O I：
10.1103/PhysRevB.48.17622
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The quasiparticle electronic band structure of C3N4 carbon nitride in the beta-Si3N4 structure is calculated using the GW approximation. The indirect band gap is predicted to be 6.4+/-0.5 eV and the minimum direct gap is found to be at GAMMA with a value of 6.75 eV. A plane-wave local-density-approximation band structure is also presented.
引用
收藏
页码：17622 / 17624
页数：3
相关论文
共 31 条
  • [1] CRYSTAL STRUCTURE OF BETA-SI3N4
    BORGEN, O
    SEIP, HM
    [J]. ACTA CHEMICA SCANDINAVICA, 1961, 15 (08): : 1789 - &
  • [2] GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD
    CEPERLEY, DM
    ALDER, BJ
    [J]. PHYSICAL REVIEW LETTERS, 1980, 45 (07) : 566 - 569
  • [3] GROWTH AND CHARACTERIZATION OF C-N THIN-FILMS
    CHEN, MY
    LIN, X
    DRAVID, VP
    CHUNG, YW
    WONG, MS
    SPROUL, WD
    [J]. SURFACE & COATINGS TECHNOLOGY, 1992, 55 (1-3) : 360 - 364
  • [4] PREDICTING USEFUL MATERIALS
    COHEN, ML
    [J]. SCIENCE, 1993, 261 (5119) : 307 - 308
  • [5] CALCULATION OF BULK MODULI OF DIAMOND AND ZINCBLENDE SOLIDS
    COHEN, ML
    [J]. PHYSICAL REVIEW B, 1985, 32 (12): : 7988 - 7991
  • [6] COHEN ML, 1982, PHYS SCR, V1, pT5
  • [7] TRENDS IN SELF-ENERGY OPERATORS AND THEIR CORRESPONDING EXCHANGE-CORRELATION POTENTIALS
    GODBY, RW
    SCHLUTER, M
    SHAM, LJ
    [J]. PHYSICAL REVIEW B, 1987, 36 (12): : 6497 - 6500
  • [8] SELF-ENERGY OPERATORS AND EXCHANGE-CORRELATION POTENTIALS IN SEMICONDUCTORS
    GODBY, RW
    SCHLUTER, M
    SHAM, LJ
    [J]. PHYSICAL REVIEW B, 1988, 37 (17): : 10159 - 10175
  • [9] ACCURATE EXCHANGE-CORRELATION POTENTIAL FOR SILICON AND ITS DISCONTINUITY ON ADDITION OF AN ELECTRON
    GODBY, RW
    SCHLUTER, M
    SHAM, LJ
    [J]. PHYSICAL REVIEW LETTERS, 1986, 56 (22) : 2415 - 2418
  • [10] CRYSTAL STRUCTURES OF SILICON NITRIDE
    HARDIE, D
    JACK, KH
    [J]. NATURE, 1957, 180 (4581) : 332 - 333
1234