Pressure-induced structural phase transition in RbAu

Yu, Zhenjiang; Li, C.Y.; Liu, H.Z.

doi:10.1016/j.physb.2011.12.098

Cited by 8 publications

(2 citation statements)

References 34 publications

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“…Lithium compounds have a number of industrial applications, together with heat-resistant glass and ceramics, high strength-to-weight alloys used in aircraft, lithium batteries and lithium-ion batteries [1][2][3]. Nowadays, alkali-metal intermetallics have attracted more interest because of one of the unusual properties like deviation from Vegard's rule [4]. Considering the intermetallic system of LiM (M=Ag, Hg and Tl), to the best of our knowledge very little is known about the electronic and thermal properties.…”

Section: Introductionmentioning

confidence: 99%

A Systematic Study on Electronic and Thermodynamical Properties of Some LiM (M= Ag, Hg and Tl) Intermetallics

Paliwal¹

2015

IJMSA

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Binary intermetallic system, Li-M (M=Ag, Hg and Tl) has been systematically evaluated and optimized using self consistent tight binding linear muffin tin orbital (TB-LMTO) method under ambient conditions. The lattice constant, bulk modulus and its pressure derivative were calculated. The lattice constants were calculated to be 3.05, 3.20 and 3.34 Å and bulk modulii were predicted to be 61.8, 50 and 37.8 GPa, for LiAg, LiHg and LiTl, respectively. Electronic band structures, partial and total densities of states were derived in B 2 (CsCl) phase for the first time. The band structures show metallic character and conductivity was mostly governed by Lid and M-d states. Furthermore, Debye temperature, Grüneisen constant and molar heat capacity in terms of coefficients of the electronic and lattice heat capacities were estimated.

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Section: Introductionmentioning

confidence: 99%

A Systematic Study on Electronic and Thermodynamical Properties of Some LiM (M= Ag, Hg and Tl) Intermetallics

Paliwal¹

2015

IJMSA

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“…Grosch and Range calculated the structural properties of MAu alloys (M ¼ Li, Na, K, Cs, Rb) and examined the electronic valance charge densities of these compounds [7]. Yu et al used first principle method based on the density function theory (DFT) to calculate the structural and elastic properties of RbAu [8]. Tinelli and Holcomb performed NMR and XRay measurement of RbAu and CsAu and investigated the structural properties of these compounds [9].…”

Section: Introductionmentioning

confidence: 99%

Physical properties of RbAu compound

Aycibin

Doğan

Gülebağlan

et al. 2014

Computational Condensed Matter

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a b s t r a c tIn this paper, we investigated electronic, optic, elastic, dynamic and thermodynamic properties of RbAu compound by density functional theory within the generalized gradient approximation. The calculated static value of real part of dielectric constant is 6.7. The calculated electronic band structure of RbAu shows that RbAu is a semiconductor with an indirect band gap of 0.36 eV. Besides, RbAu obeys mechanical stability and it demonstrates elastic anisotropy. 540K is classical limit for specific heat of RbAu.

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The crystallographic stability and anisotropic compressibility of C54-type TiSi2 under high pressure

Liu

et al. 2013

Journal of Physics and Chemistry of Solids

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Pressure-induced structural phase transition in RbAu

Cited by 8 publications

References 34 publications

A Systematic Study on Electronic and Thermodynamical Properties of Some LiM (M= Ag, Hg and Tl) Intermetallics

A Systematic Study on Electronic and Thermodynamical Properties of Some LiM (M= Ag, Hg and Tl) Intermetallics

Physical properties of RbAu compound

The crystallographic stability and anisotropic compressibility of C54-type TiSi2 under high pressure

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