Calculations of superconducting properties in yttrium and calcium under high pressure

被引：34

作者：

Lei, Shi ^{[1
]}

Papaconstantopoulos, D. A.

Mehl, Michael J.

机构：

[1] George Mason Univ, Dept Computat & Data Sci, Fairfax, VA 22030 USA

[2] USN, Res Lab, Ctr Computat Mat Sci, Washington, DC 20375 USA

来源：

PHYSICAL REVIEW B | 2007年 / 75卷 / 02期

关键词：

D O I：

10.1103/PhysRevB.75.024512

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We have used first-principles electronic structure calculations to generate the bulk modulus as a function of volume as well as the densities of states and scattering phase shifts at the Fermi level. These quantities were used in conjunction with the rigid-muffin-tin theory of Gaspari and Gyorffy and the McMillan theory to determine the electron-phonon coupling and the superconducting transition temperature for yttrium and calcium under high pressures. Our results provide a good interpretation of the measured increase of T-c in these metals.

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页数：7

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共 23 条

[1] LINEAR METHODS IN BAND THEORY [J].

ANDERSEN, OK .

PHYSICAL REVIEW B, 1975, 12 (08) :3060-3083

[2] ELECTRON-PHONON INTERACTION IN CUBIC SYSTEMS - APPLICATION TO NIOBIUM [J].

BUTLER, WH ;

OLSON, JJ ;

FAULKNER, JS ;

GYORFFY, BL .

PHYSICAL REVIEW B, 1976, 14 (09) :3823-3836

[3] ELECTRON-PHONON INTERACTIONS, D RESONANCES, AND SUPERCONDUCTIVITY IN TRANSITION-METALS [J].

GASPARI, GD ;

GYORFFY, BL .

PHYSICAL REVIEW LETTERS, 1972, 28 (13) :801-&

[4] ATOMIC VOLUMES OF RARE-EARTH-METALS UNDER PRESSURES TO 40 GPA AND ABOVE [J].

GROSSHANS, WA ;

HOLZAPFEL, WB .

PHYSICAL REVIEW B, 1992, 45 (10) :5171-5178

[5] Superconductivity at 17 K in yttrium metal under nearly hydrostatic pressures up to 89 GPa [J].

Hamlin, JJ ;

Tissen, VG ;

Schilling, JS .

PHYSICAL REVIEW B, 2006, 73 (09)

[6]

KASINATHAN D, IN PRESS PHYSICA C

[7] TRANSITION TEMPERATURE OF STRONG-COUPLED SUPERCONDUCTORS [J].

MCMILLAN, WL .

PHYSICAL REVIEW, 1968, 167 (02) :331-&

[8] Applications of a tight-binding total-energy method for transition and noble metals: Elastic constants, vacancies, and surfaces of monatomic metals [J].

Mehl, MJ ;

Papaconstantopoulos, DA .

PHYSICAL REVIEW B, 1996, 54 (07) :4519-4530

[9] PREDICTION OF A BCC STRUCTURE IN COMPRESSED YTTRIUM [J].

MELSEN, J ;

WILLS, JM ;

JOHANSSON, B ;

ERIKSSON, O .

PHYSICAL REVIEW B, 1993, 48 (21) :15574-15577

[10] CALCULATED THERMAL-PROPERTIES OF METALS [J].

MORUZZI, VL ;

JANAK, JF ;

SCHWARZ, K .

PHYSICAL REVIEW B, 1988, 37 (02) :790-799