Electronic topological transition in zinc metal at high external pressure

被引:26
作者
Steiner, M [1 ]
Potzel, W [1 ]
Karzel, H [1 ]
Schiessl, W [1 ]
Kofferlein, M [1 ]
Kalvius, GM [1 ]
Blaha, P [1 ]
机构
[1] TECH UNIV VIENNA,INST TECH ELEKTROCHEM,A-1060 VIENNA,AUSTRIA
关键词
D O I
10.1088/0953-8984/8/20/006
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
We report investigations of Zn metal under quasi-hydrostatic pressures up to 16 GPa by Zn-67 Mossbauer spectroscopy and scalar-relativistic linearized augmented plane wave (LAPW) calculations. Our studies show that at 4.2 K an electronic topological transition CETI? occurs at about 6.6 GPa, corresponding to a volume change of (1-V/V-o) approximate to 0.085. At the ETT conduction electron states in the third Brillouin zone at the symmetry point L ('butterflies') move below the Fermi surface and start being occupied. At the ETT the electric field gradient tensor and the s electron density rho(0) at the Zn-67 nucleus remain virtually unchanged but the lattice dynamics is drastically affected. The Lamb-Mossbauer factor (LMF) abruptly drops by a factor of two between 6.5 and 6.7 GPa and the curvature of the pressure dependence of the second-order Doppler shift (S-SOD) changes markedly. The results on LMF and S-SOD are described by a sudden destruction of a giant Kohn anomaly which accompanies the ETT.
引用
收藏
页码:3581 / 3599
页数:19
相关论文
共 52 条
  • [1] HIGH-PRESSURE MOSSBAUER SPECTROMETER FOR THE HIGH-RESOLUTION 93.3-KEV RESONANCE IN ZN-67
    ADLASSNIG, W
    POTZEL, W
    MOSER, J
    SCHAFER, C
    STEINER, M
    KALVIUS, GM
    [J]. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT, 1989, 277 (2-3) : 485 - 490
  • [2] ZN-67 MOSSBAUER INVESTIGATION OF CU-ZN ALLOYS AT HIGH-PRESSURE
    ADLASSNIG, W
    POTZEL, W
    MOSER, J
    SCHIESSL, W
    POTZEL, U
    SCHAFER, C
    STEINER, M
    KARZEL, H
    PETER, M
    KALVIUS, GM
    [J]. PHYSICAL REVIEW B, 1989, 40 (11): : 7469 - 7478
  • [3] FULL-POTENTIAL, LINEARIZED AUGMENTED PLANE-WAVE PROGRAMS FOR CRYSTALLINE SYSTEMS
    BLAHA, P
    SCHWARZ, K
    SORANTIN, P
    TRICKEY, SB
    [J]. COMPUTER PHYSICS COMMUNICATIONS, 1990, 59 (02) : 399 - 415
  • [4] 1ST-PRINCIPLES CALCULATION OF THE ELECTRIC-FIELD GRADIENT IN HCP METALS
    BLAHA, P
    SCHWARZ, K
    DEDERICHS, PH
    [J]. PHYSICAL REVIEW B, 1988, 37 (06) : 2792 - 2796
  • [5] 1ST-PRINCIPLES CALCULATION OF THE ELECTRIC-FIELD GRADIENT OF LI3N
    BLAHA, P
    SCHWARZ, K
    HERZIG, P
    [J]. PHYSICAL REVIEW LETTERS, 1985, 54 (11) : 1192 - 1195
  • [6] CALCULATION OF THE PRESSURE-DEPENDENCE OF THE EFG IN BCT IN, HCP TI AND ZN FROM ENERGY-BAND STRUCTURES
    BLAHA, P
    [J]. HYPERFINE INTERACTIONS, 1990, 60 (1-4): : 773 - 776
  • [7] GRUNEISEN-PARAMETER OF CESIUM AND RUBIDIUM AT HIGH-PRESSURE AND THE NATURE OF THE ISOSTRUCTURAL ELECTRONIC-TRANSITION
    BOEHLER, R
    ROSS, M
    [J]. PHYSICAL REVIEW B, 1984, 29 (06): : 3673 - 3676
  • [8] BUCHMANN U, 1985, THESIS TU BRAUNSCHWE
  • [9] Bud'ko S. L., 1984, Soviet Physics - JETP, V59, P454
  • [10] ELECTRON-PHONON INTERACTIONS IN CADMIUM MEASURED BY INELASTIC NEUTRON-SCATTERING
    CHERNYSHOV, AA
    PUSHKAREV, VV
    RUMYANTSEV, AY
    DORNER, B
    PYNN, R
    [J]. JOURNAL OF PHYSICS F-METAL PHYSICS, 1979, 9 (10): : 1983 - 1995