Phonons and electron-phonon interaction by linear-response theory within the LAPW method -: art. no. 184306

被引：11
|
作者：
Kouba, R
Taga, A
Ambrosch-Draxl, C
Nordström, L
Johansson, B
机构：
[1] Graz Univ, Inst Theoret Phys, A-8010 Graz, Austria
[2] Uppsala Univ, Condensed Matter Theory Grp, Uppsala, Sweden
来源：
PHYSICAL REVIEW B | 2001年 / 64卷 / 18期
关键词：
D O I：
10.1103/PhysRevB.64.184306
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We present a calculation of phonon frequencies and electron-phonon coupling constants obtained from linear-response (LIZ) theory within the full-potential linearized augmented plane-wave (LAPW) method. We provide a formalism which allows us to treat LR theory in an all-electron manner. For the electron-phonon coupling matrix elements we include all correction terms, either arising due to the variational solution of the Kohn-Sham equations or due to the LAPW specific basis set. The method is applied to bee sulfur and hcp beryllium. Our LR results are in excellent agreement with data obtained by the supercell approach.
引用
收藏
页数：9
相关论文
共 50 条
  • [31] Electron-phonon coupling and its evidence in the photoemission spectra of lead -: art. no. 186406
    Reinert, F
    Eltner, B
    Nicolay, G
    Ehm, D
    Schmidt, S
    Hüfner, S
    PHYSICAL REVIEW LETTERS, 2003, 91 (18)
  • [32] Electron-phonon scattering and ballistic behavior in semiconducting carbon nanotubes -: art. no. 172112
    d'Honincthun, HC
    Galdin-Retailleau, S
    Sée, J
    Dollfus, P
    APPLIED PHYSICS LETTERS, 2005, 87 (17) : 1 - 3
  • [33] Evidence for strong electron-phonon coupling in MgCNi3 -: art. no. 174503
    Wälte, A
    Fuchs, G
    Müller, KH
    Handstein, A
    Nenkov, K
    Narozhnyi, VN
    Drechsler, SL
    Shulga, S
    Schultz, L
    Rosner, H
    PHYSICAL REVIEW B, 2004, 70 (17) : 1 - 18
  • [34] Ab initio lattice dynamics and electron-phonon coupling in LixZrNCl -: art. no. 134527
    Heid, R
    Bohnen, KP
    PHYSICAL REVIEW B, 2005, 72 (13):
  • [35] Phonons, electronic charge response and electron-phonon interaction in the high-temperature superconductors
    Falter, C
    PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2005, 242 (01): : 78 - 117
  • [36] Influence of electron-phonon interaction on the lattice thermal conductivity of Co1-xNixSb3 -: art. no. 094115
    Yang, J
    Morelli, DT
    Meisner, GP
    Chen, W
    Dyck, JS
    Uher, C
    PHYSICAL REVIEW B, 2002, 65 (09) : 1 - 5
  • [37] Effect of microstructure on the electron-phonon interaction in the disordered metals Pd60Ag40 -: art. no. 132202
    Zhong, YL
    Lin, JJ
    Kao, LY
    PHYSICAL REVIEW B, 2002, 66 (13) : 1 - 4
  • [38] Extraction of the electron-phonon interaction from tunneling data in the multigap superconductor MgB2 -: art. no. 132503
    Dolgov, OV
    Gonnelli, RS
    Ummarino, GA
    Golubov, AA
    Shulga, SV
    Kortus, J
    PHYSICAL REVIEW B, 2003, 68 (13)
  • [39] Direct determination of Debye temperature and electron-phonon interaction in 1T-VSe2 -: art. no. 073107
    Kamarchuk, GV
    Khotkevich, AV
    Bagatsky, VM
    Ivanov, VG
    Molinié, P
    Leblanc, A
    Faulques, E
    PHYSICAL REVIEW B, 2001, 63 (07):
  • [40] Electronic structure and weak electron-phonon coupling in TaB2 -: art. no. 144516
    Rosner, H
    Pickett, WE
    Drechsler, SL
    Handstein, A
    Behr, G
    Fuchs, G
    Nenkov, K
    Müller, KH
    Eschrig, H
    PHYSICAL REVIEW B, 2001, 64 (14)
12345