Probing physical properties and superconductivity of noncentrosymmetric superconductors LaPtGe and LaPtGe3: A first-principles study

Uzunok, H.Y.; Zafer, Talha; Tütüncü, H. M.; Karaca, Ertuğrul; Bagˇcı, S.; Srivastava, G. P.

doi:10.1016/j.commatsci.2020.109949

Cited by 7 publications

(1 citation statement)

References 42 publications

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“…The lattice parameters a, c, and the Ir-Si and Rh-Si bond lengths are listed for two compounds in table 1 along with available experimental values. Additionally, the values of bulk modulus (B) and its pressure derivative (B ) are calculated by minimizing the crystal total energy for different values of the crystal volume by means of the Murnaghan equation of state [46][47][48]. They are calculated for both compounds as listed in table 1 The band shapes are similar for both compounds.…”

Section: Structural and Electronic Propertiesmentioning

confidence: 99%

Electronic, phononic and superconducting properties of trigonal Li₂ MSi₂ (M = Ir, Rh)

Tayran¹,

Çakmak²

2020

J. Phys.: Condens. Matter

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We have used ab initio density functional theory to study electronic, mechanical, phononic, and superconducting properties of Li2 MSi2 (M = Ir, Rh), which has recently been produced as a new type of transition metal–based ternary compound in the trigonal structure (Horigane et al 2019 New J. Phys. 21 093056). The calculated electronic band structure and the density of states indicate that the Li2IrSi2 and Li2RhSi2 compounds are in metallic character. Mechanical properties such as elastic constants, bulk modulus, shear modulus, Young’s modulus, Poisson’s ratio, and Debye temperature were calculated for these compounds. The calculated results suggest that the compounds are mechanically stable and behave in a ductile manner. The phonon spectra have no imaginary frequency, which proves that these compounds are dynamically stable. Electron–phonon coupling parameters confirm that they are weak–coupling superconductors. Although the influence of spin–orbit coupling in superconductivity is not significant for these compounds, it has a very small influence on electronic structure for Li2IrSi2. The calculated critical temperature ( T c μ ⋆ = 0.11 ) values of 3.29 K for Li2IrSi2 and 2.82 K for Li2RhSi2 agree well with experimental estimates.

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Section: Structural and Electronic Propertiesmentioning

confidence: 99%

Electronic, phononic and superconducting properties of trigonal Li₂ MSi₂ (M = Ir, Rh)

Tayran¹,

Çakmak²

2020

J. Phys.: Condens. Matter

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A high-throughput screening and discovery of lanthanum based ternary noncentrosymmetric superconductors with ZrNiAl-structure from ab initio calculations

Song,

Qin,

Shi

et al. 2024

Journal of Physics and Chemistry of Solids

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Theoretical study on superconductivity of Ce–Ca–H ternary hydrides under high pressure

Chen,

Zhang,

Xue

et al. 2024

Physica B: Condensed Matter

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Probing physical properties and superconductivity of noncentrosymmetric superconductors LaPtGe and LaPtGe3: A first-principles study

Cited by 7 publications

References 42 publications

Electronic, phononic and superconducting properties of trigonal Li₂ MSi₂ (M = Ir, Rh)

Electronic, phononic and superconducting properties of trigonal Li₂ MSi₂ (M = Ir, Rh)

A high-throughput screening and discovery of lanthanum based ternary noncentrosymmetric superconductors with ZrNiAl-structure from ab initio calculations

Theoretical study on superconductivity of Ce–Ca–H ternary hydrides under high pressure

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Probing physical properties and superconductivity of noncentrosymmetric superconductors LaPtGe and LaPtGe3: A first-principles study

Cited by 7 publications

References 42 publications

Electronic, phononic and superconducting properties of trigonal Li2 MSi2 (M = Ir, Rh)

Electronic, phononic and superconducting properties of trigonal Li2 MSi2 (M = Ir, Rh)

A high-throughput screening and discovery of lanthanum based ternary noncentrosymmetric superconductors with ZrNiAl-structure from ab initio calculations

Theoretical study on superconductivity of Ce–Ca–H ternary hydrides under high pressure

Contact Info

Product

Resources

About

Electronic, phononic and superconducting properties of trigonal Li₂ MSi₂ (M = Ir, Rh)

Electronic, phononic and superconducting properties of trigonal Li₂ MSi₂ (M = Ir, Rh)