Phonon anomalies in ZrRuP?

Keiber, H.; Wühl, H.; Meisner, G. P.; Stewart, G. R.

doi:10.1007/bf00683648

Cited by 19 publications

(23 citation statements)

References 5 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…This experimental observation totally withers the suggestion made by Barz and co-workers [27]. The specific heat measurement of o-ZrRuP has been also realized from 2 to 15 K [31]. From this measurement, the value of N (E F ) for o-ZrRuP is found to be 0.72 states/eV per atom which is almost identical to that for h-ZrRuP.…”

Section: Introductionsupporting

confidence: 84%

“…Their calculations [48] produce the value of N (E F ) to be 0.21 and 0.29 states/eV per atom for h-ZrRuP and o-ZrRuP, respectively. Despite these values are substantially lower than their corresponding experimental values attained by the specific heat measurements of both phases [28,31], this theoretical work supports that only electronic structure calculations are not enough to explain the large T c difference between these phases due to their similar N (E F ) values. The electronic properties of h-ZrRuP and o-ZrRuP have been analyzed by using the full-potential linearized augmented plane wave (FLAPW) method within the local density approximation (LDA) [49,50].…”

Section: Introductionsupporting

confidence: 68%

“…The calculated lattice parameters, the internal parameters, the bulk modulus and its pressure derivative for both phases of ZrRuP are presented in Table I, together with available experimental data [27,[29][30][31]33,41] and previous theoretical results [51] for comparison. In general, the calculated values of lattice parameters and internal parameters for both phases of ZrRuP harmonize with the measured [27,[29][30][31]33,41] and previously calculated [51] values while the calculated values of B and B for both phases of ZrRuP are comparable with their previous theoretical values [51]. In particular, when comparing our results for h-ZrRuP, the calculated lattice parameters a and c vary from their measured ones [27,29,41] within 1.0% and 2.0%, respectively.…”

Section: A Structural and Electronic Propertiesmentioning

confidence: 99%

“…Both structures are favorable for the occurrence of superconductivity and thus the main interest in the T T X compounds has concerned their superconducting behavior . ZrRuP is one important member of intermetallic T T X superconductors since it exhibits polymorphism and can adopt either the hexagonal ZrNiAl-type structure (h-ZrRuP) [27,29] or the orthorhombic TiNiSi-type structure (o-ZrRuP) [30,31,33]. The phase transition from the orthorhombic phase to the hexagonal one for ZrRuP occurs at around 3.5 GPa and 1100 • C [33].…”

Section: Introductionmentioning

confidence: 99%

“…This observation proposes that the large T c difference between h-ZrRuP and o-ZrRuP can not be explained in terms of their N (E F ) values. Although both phases have similar N (E F ) values, their Debye temperatures [28,31] ( h-ZrRuP D = 345 K and o-ZrRuP D = 454 K) differ from each other within 30%. Therefore the 30% softer lattice of h-ZrRuP as compared to that of o-ZrRuP may be responsible for its high T c value since soft phonon modes may enhance the value of electron-phonon coupling parameter for h-ZrRuP and thus increase its T c value.…”

Section: Introductionmentioning

confidence: 99%

See 4 more Smart Citations

Investigating the normal state and superconducting state properties of orthorhombic and hexagonal ZrRuP: A first-principles study

et al. 2019

View full text Add to dashboard Cite

We have executed ab initio pseudopotential calculations on the structural, electronic, elastic, mechanical, vibrational, and electron-phonon interaction properties of hexagonal ZrRuP (h-ZrRuP) and orthorhombic ZrRuP (o-ZrRuP). The electronic states of both phases near the Fermi energy are found to be dominated by the d electrons of transition metal atoms, suggesting that they play a more active role in the generation of superconducting state for both phases of ZrRuP. A critical assessment of their elastic and mechanical properties reveals that the lattice of h-ZrRuP is softer than that of o-ZrRuP. A comparison of phonon dispersion curves for both phases indicates that the lower transverse acoustic branch of h-ZrRuP is much softer than that of o-ZrRuP. The soft character of this phonon branch gives rise to strong electron-phonon interaction in h-ZrRuP. Therefore the electron-phonon coupling parameter for h-ZrRuP equals to 1.25 which is considerably larger than the corresponding value of 0.57 for o-ZrRuP. As a consequence, phonon and electron-phonon interaction properties are crucial in making superconducting transition temperature much higher for h-ZrRuP than o-ZrRuP. At the end, the value of this temperature is found to be 12.49 K for h-ZrRuP and 3.89 K for o-ZrRuP which coincide with their experimental values of 12.93 and 3.82 K.

show abstract

Section: Introductionsupporting

confidence: 84%