Melting of transition metals at high pressure and the influence of liquid frustration: The early metals Ta and Mo

被引:58
作者
Ross, Marvin [1 ]
Errandonea, Daniel
Boehler, Reinhard
机构
[1] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA
[2] Univ Valencia, ICMUV, Dept Fis Aplicada, E-46100 Burjassot, Spain
[3] Max Planck Inst Chem, D-55020 Mainz, Germany
来源
PHYSICAL REVIEW B | 2007年 / 76卷 / 18期
关键词
D O I
10.1103/PhysRevB.76.184118
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
In this second report, we focus attention on the role that frustration plays in the melting curves of the early transition metals. Of particular interest are Mo and Ta. This is partly because these metals have nearly half-filled d bands implying that a maximum Jahn-Teller distortion is responsible for a high level of liquid frustration leading to melting slopes that are among the lowest observed for transition metals, and partly to resolve an apparent discrepancy between diamond-anvil cell and shockwave-melting measurements. Since the two sets of measurements are nonoverlapping, they are highly complementary, leading to a phase diagram for the two metals that resolves these discrepancies, without challenging the credibility of either set of measurements.
引用
收藏
页数:6
相关论文
共 37 条
[1]   Polytetrahedral nature of the dense disordered packings of hard spheres [J].
Anikeenko, A. V. ;
Medvedev, N. N. .
PHYSICAL REVIEW LETTERS, 2007, 98 (23)
[2]  
[Anonymous], UNPUB
[3]   High-pressure melting of molybdenum [J].
Belonoshko, AB ;
Simak, SI ;
Kochetov, AE ;
Johansson, B ;
Burakovsky, L ;
Preston, DL .
PHYSICAL REVIEW LETTERS, 2004, 92 (19) :195701-1
[4]   Ab initio study of metastability in refractory metal based systems [J].
Berne, C ;
Pasturel, A ;
Sluiter, M ;
Vinet, B .
PHYSICAL REVIEW LETTERS, 1999, 83 (08) :1621-1623
[5]  
BOEHLER R, 1997, EARTH PLANET SC LETT, V153, P227
[6]  
Brown J.M., 1983, SHOCK WAVES CONDENSE
[7]  
Burdett J. K., 1995, CHEM BONDING SOLIDS
[8]   Ab initio melting curve of molybdenum by the phase coexistence method [J].
Cazorla, C. ;
Gillan, M. J. ;
Taioli, S. ;
Alfe, D. .
JOURNAL OF CHEMICAL PHYSICS, 2007, 126 (19)
[9]   EVIDENCES OF TRANSITORY METASTABLE PHASES IN REFRACTORY-METALS SOLIDIFIED FROM HIGHLY UNDERCOOLED LIQUIDS IN A DROP TUBE [J].
CORTELLA, L ;
VINET, B ;
DESRE, PJ ;
PASTUREL, A ;
PAXTON, AT ;
VANSCHILFGAARDE, M .
PHYSICAL REVIEW LETTERS, 1993, 70 (10) :1469-1472
[10]  
DAI C, 2002, J PHYS D, V34, P3064