c/a anomalies and electronic topological transitions in Cd

被引:39
作者
Godwal, BK [1 ]
Meenakshi, S [1 ]
Rao, RS [1 ]
机构
[1] Bhabha Atom Res Ctr, High Pressure Phys Div, Bombay 400085, Maharashtra, India
来源
PHYSICAL REVIEW B | 1997年 / 56卷 / 23期
关键词
D O I
10.1103/PhysRevB.56.14871
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The total-energy calculations are carried out to obtain the axial ratio (c/a) variation with compression for cadmium. We find two anomalies as compared to a single anomaly at V/V-0 = 0.85 observed in the experimental data. The first anomaly at V/V-0 = 0.95 is due to electronic topological transition (ETT) and correlates well with die anomaly observed in the existing resistivity data. We find the 4d-orbital overlap, coupled with transfer of electrons from d to s states as the cause of second anomaly. This observation is in contrast to the existing understanding in zinc, where the c/a anomaly is attributed to the destruction of a giant Kohn anomaly by ETT. Nondestruction of giant Kohn anomaly in cadmium at high pressures is in disagreement with the current view in the literature that its Fermi surface is identical to that of zinc.
引用
收藏
页码:14871 / 14874
页数:4
相关论文
共 29 条
[1]   LINEAR METHODS IN BAND THEORY [J].
ANDERSEN, OK .
PHYSICAL REVIEW B, 1975, 12 (08) :3060-3083
[2]   1ST-PRINCIPLES CALCULATION OF THE ELECTRIC-FIELD GRADIENT IN HCP METALS [J].
BLAHA, P ;
SCHWARZ, K ;
DEDERICHS, PH .
PHYSICAL REVIEW B, 1988, 37 (06) :2792-2796
[3]  
Bud'ko S. L., 1984, Soviet Physics - JETP, V59, P454
[4]   PHONON ANOMALY NEAR A FERMI-SURFACE TOPOLOGICAL TRANSITION [J].
DAGENS, L .
JOURNAL OF PHYSICS F-METAL PHYSICS, 1978, 8 (10) :2093-2113
[5]   MAGNETOACOUSTIC EFFECT AND FERMI SURFACE OF CADMIUM [J].
DANIEL, MR ;
MACKINNON, L .
PHILOSOPHICAL MAGAZINE, 1963, 8 (88) :537-&
[6]   ELECTRONIC-STRUCTURE OF MG, ZN AND CD [J].
DANIUK, S ;
JARLBORG, T ;
KONTRYMSZNAJD, G ;
MAJSNEROWSKI, J ;
STACHOWIAK, H .
JOURNAL OF PHYSICS-CONDENSED MATTER, 1989, 1 (44) :8397-8406
[7]   1ST-PRINCIPLES CALCULATIONS OF THE THEORETICAL TENSILE-STRENGTH OF COPPER [J].
ESPOSITO, E ;
CARLSSON, AE ;
LING, DD ;
EHRENREICH, H ;
GELATT, CD .
PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 1980, 41 (02) :251-259
[8]   ACOUSTIC MEASUREMENTS OF ELECTRONIC STRUCTURE OF ZINC AND CADMIUM [J].
GIBBONS, DF ;
FALICOV, LM .
PHILOSOPHICAL MAGAZINE, 1963, 8 (86) :177-&
[9]  
GLOTZEL D, 1985, PHYS REV B, V32, P207
[10]  
GODWAL BK, IN PRESS J PHYS CHEM