OPTICAL NEAR-ZONE-CENTER PHONONS AND THEIR INTERACTION WITH ELECTRONS IN YBA2CU3O7 - RESULTS OF THE LOCAL-DENSITY APPROXIMATION

被引:163
作者
RODRIGUEZ, CO [1 ]
LIECHTENSTEIN, AI [1 ]
MAZIN, II [1 ]
JEPSEN, O [1 ]
ANDERSEN, OK [1 ]
METHFESSEL, M [1 ]
机构
[1] FRITZ HABER INST,W-1000 BERLIN 33,GERMANY
来源
PHYSICAL REVIEW B | 1990年 / 42卷 / 04期
关键词
D O I
10.1103/PhysRevB.42.2692
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Ab initio frozen-phonon calculations were performed for YBa2Cu3O7 for the five Ag Raman-active and for two B1u infrared-active optical q=0 modes, with use of the local-density approximation and the full-potential linear-muffin-tin- orbital method. The full Ag dynamical matrix was calculated using 98 k points in the 1/8 Brillouin zone. The theoretical and experimental equilibrium structures and phonon frequencies agree well. Phonon linewidths q, due to electronic intraband transitions in the normal state, and electron-phonon coupling constants q==q/[N(0) 2] were calculated for the Ag modes and small, transverse q. We estimate that 1 for the sum over all modes. The phonon shifts and broadenings observed for T<Tc by Raman scattering are well accounted for by conventional strong-coupling theory and our calculated electron-phonon coupling. © 1990 The American Physical Society.
引用
收藏
页码:2692 / 2695
页数:4
相关论文
共 17 条
[1]   STRUCTURE OF THE SINGLE-PHASE HIGH-TEMPERATURE SUPERCONDUCTOR YBA2CU3O7-DELTA [J].
BENO, MA ;
SODERHOLM, L ;
CAPONE, DW ;
HINKS, DG ;
JORGENSEN, JD ;
GRACE, JD ;
SCHULLER, IK ;
SEGRE, CU ;
ZHANG, K .
APPLIED PHYSICS LETTERS, 1987, 51 (01) :57-59
[2]   FERMI SURFACES OF YBA2CU3O6.9 AS SEEN BY ANGLE-RESOLVED PHOTOEMISSION [J].
CAMPUZANO, JC ;
JENNINGS, G ;
FAIZ, M ;
BEAULAIGUE, L ;
VEAL, BW ;
LIU, JZ ;
PAULIKAS, AP ;
VANDERVOORT, K ;
CLAUS, H ;
LIST, RS ;
ARKO, AJ ;
BARTLETT, RJ .
PHYSICAL REVIEW LETTERS, 1990, 64 (19) :2308-2311
[3]   1ST-PRINCIPLES PHONON CALCULATIONS FOR LA2CUO4 [J].
COHEN, RE ;
PICKETT, WE ;
KRAKAUER, H .
PHYSICAL REVIEW LETTERS, 1989, 62 (07) :831-834
[4]   RAMAN-SCATTERING FROM SUPERCONDUCTING GAP EXCITATIONS IN SINGLE-CRYSTAL YBA2CU3O7-DELTA [J].
COOPER, SL ;
KLEIN, MV ;
PAZOL, BG ;
RICE, JP ;
GINSBERG, DM .
PHYSICAL REVIEW B, 1988, 37 (10) :5920-5923
[5]   PHONON ANOMALIES AND RANGE OF SUPERCONDUCTING ENERGY GAPS FROM INFRARED STUDIES OF YBA2CU3O7-DELTA [J].
GENZEL, L ;
WITTLIN, A ;
BAUER, M ;
CARDONA, M ;
SCHONHERR, E ;
SIMON, A .
PHYSICAL REVIEW B, 1989, 40 (04) :2170-2178
[6]   LATTICE-DYNAMICS OF THE HIGH-TC SUPERCONDUCTOR YBA2CU3O7-X [J].
KRESS, W ;
SCHRODER, U ;
PRADE, J ;
KULKARNI, AD ;
DEWETTE, FW .
PHYSICAL REVIEW B, 1988, 38 (04) :2906-2909
[7]   COPPER ISOTOPE EFFECT IN RAMAN-SCATTERING ON SUPERCONDUCTING YBA2CU3O7-X [J].
MASCARENHAS, A ;
KATAYAMAYOSHIDA, H ;
PANKOVE, J ;
DEB, SK .
PHYSICAL REVIEW B, 1989, 39 (07) :4699-4700
[8]   FAST FULL-POTENTIAL CALCULATIONS WITH A CONVERGED BASIS OF ATOM-CENTERED LINEAR MUFFIN-TIN ORBITALS - STRUCTURAL AND DYNAMIC PROPERTIES OF SILICON [J].
METHFESSEL, M ;
RODRIGUEZ, CO ;
ANDERSEN, OK .
PHYSICAL REVIEW B, 1989, 40 (03) :2009-2012
[9]  
Rainer D., 1986, Progress in low temperature physics. Vol.10, P371, DOI 10.1016/S0079-6417(08)60024-4
[10]  
RASHBA EI, UNPUB