Kristall- und elektronische Strukturen von AIr2P2 (A: Ca — Ba)Professor Welf Bronger zum 70. Geburtstag gewidmet

Löhken, Anke; Lux, C.; Johrendt, Dirk; Mewis, A.

doi:10.1002/1521-3749(200207)628:7<1472::aid-zaac1472>3.0.co;2-d

Cited by 20 publications

(15 citation statements)

References 4 publications

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“…In general, the calculated lattice parameters and internal parameters for all the ternary phosphides BaM 2 P 2 are in good accordance with previous experimental [20,25,27,28,32] and theoretical [17,24,30] results. The maximum difference in the lattice parameters is around 2.0% for all the studied compounds, while the maximum difference in the internal parameter z is around 0.7% for BaNi 2 P 2 .…”

Section: A Structural and Electronic Propertiessupporting

confidence: 89%

“…In 2009, heat capacity, resistivity, and magnetic susceptibility measurements suggested bulk superconductivity in single crystals of BaIr 2 P 2 (T c = 2.1 K) and BaRh 2 P 2 (T c = 1.0 K) [25,26]. These two materials, known since the early work of Wurth et al [27] and Lökhen et al [28], are isostructural to LaRu 2 P 2 and illustrate the existence of superconductivity over a large variety of layered transition metal pnictides. These stoichiometric pnictides provide an ideal playground to study the role of crystal structure for quenching magnetism and generating ambient pressure superconductivity.…”

Section: Introductionmentioning

confidence: 95%

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Electron-phonon superconductivity in the ternary phosphidesBaM2P2(M=Ni,Rh,a

et al. 2016

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Ab initio plane-wave pseudopotential calculations of electronic and vibrational properties have been carried out for the ternary phosphides BaM 2 P 2 (M = Ni, Rh and Ir) with a ThCr 2 Si 2 -type structure. The calculated electronic results show the metallic character of BaM 2 P 2 , and the plots of total and partial density of states of BaM 2 P 2 exhibit strong hybridization between the d states of the M atom and the p states of the P atom below the Fermi energy. Differences in the phonon spectrum and density of states both in the acoustical and optical ranges for these compounds are presented and discussed. The Eliashberg spectral function for these compounds has been calculated by using a linear response approach based on the density functional theory. By integrating the Eliashberg spectral function, the average electron-phonon coupling parameter (λ) is determined to be 0.61 for BaNi 2 P 2 , 0.55 for BaIr 2 P 2 , and 0.43 for BaRh 2 P 2 . Using the calculated values of λ and the logarithmically averaged phonon frequency ω ln the superconducting critical temperature (T c ) values for BaNi 2 P 2 , BaIr 2 P 2 , and BaRh 2 P 2 are obtained to be 2.80, 1.97, and 0.70 K, respectively, which compare very well with their experimental values of 3.0, 2.1, and 1.0 K.

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Section: A Structural and Electronic Propertiessupporting

confidence: 89%

Section: Introductionmentioning

confidence: 95%

Electron-phonon superconductivity in the ternary phosphidesBaM2P2(M=Ni,Rh,a

et al. 2016

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“…In this work, we present new Ir and Rh pnictide superconductors, isostructural to BaFe 2 As 2 , BaRh 2 P 2 , BaIr 2 P 2 and SrIr 2 As 2 , with T c = 1.0, 2.1 and 2.9 K, respectively [6]. The existences of BaRh 2 P 2 and BaIr 2 P 2 have been known since the early report by Wurth et al [7] and Löhken et al [8].…”

Section: Introductionmentioning

confidence: 87%

Superconductivity in 4d and 5d transition metal layered pnictides BaRh2P2, BaIr2P2 and SrIr2As2

Hirai

Takayama

Hashizume

et al. 2010

Physica C: Superconductivity and its Applications

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a b s t r a c tBulk superconductivity was discovered in BaRh 2 P 2 ðT c ¼ 1:0 KÞ, BaIr 2 P 2 ðT c ¼ 2:1 KÞ and SrIr 2 As 2 ðT c ¼ 2:9 KÞ, which are isostructural to (Ba,K)Fe 2 As 2 , indicative of the appearance of superconductivity over a wide variety of layered transition metal pnictides. The electronic specific heat coefficient in the normal state, 9.75, 6.86 and 7.03 mJ/(mol K 2 ) for BaRh 2 P 2 , BaIr 2 P 2 and SrIr 2 As 2 respectively, indicate that the electronic density of states of these three compounds are moderately large but smaller than those of Fe pnictide superconductors.

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“…Einen im Vergleich zu den BaAl 4 -Varianten gänzlich anderen Strukturtyp bilden CaIr 2 P 2 , SrIr 2 P 2 sowie EuIr 2 P 2 . Besonderes Strukturmerkmal sind hier in Form regulärer 3-zähliger Schrauben angeordnete Ir-Atome, die in ein Ir,P-Gerüst eingebettet sind [6,7].…”

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Inkommensurabel modulierte Kristallstrukturen und Phasenumwandlungen – Die Verbindungen SrPt₂As₂ und EuPt₂As₂

Imre

Hellmann

Wenski

et al. 2007

Zeitschrift anorg allge chemie

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The new compounds SrPt 2 As 2 (a ϭ 4.482(1), b ϭ 4.525(1), c ϭ 9.869(2) Å ) and EuPt 2 As 2 (a ϭ 4.435(2), b ϭ 4.467(2), c ϭ 9.784(3) Å ) have been prepared by reaction of the elements at 1050°C. Satellite reflections observed in X-ray diffraction experiments on single crystals revealed that both compounds have modulated crystal structures at room temperature. The average structures can be derived from the CaBe 2 Ge 2 type and described in the orthorhombic space group Pmmn (Z ϭ 2) with splitted positions for half the Pt and As atoms. Based on the average structure of SrPt 2 As 2 , the modulated structure has been solved and refined using the (3ϩ1)-dimensional superspace group Pmmn(Ͱ00)0s0 and a modulation vector q ϭ 0,62 · a * . The modulation appears in the layers of the PtAs 4 tetrahedra with occupational and displacive components. The other atoms are also slightly affected by the modulation. With increasing pressure, SrPt 2 As 2 undergoes a phase transition at about 60 kbar. The crystal structure of the high pressure phase (HP-SrPt 2 As 2 : a ϭ 9.752(2), b ϭ 4.398(1), c ϭ 8.727(2) Å , β ϭ 90.34(3)°; 66(5) kbar) is a monoclinic variant (P2 1 /c; Z ϭ 4) of the Einleitung Von den möglichen ternären Erdalkalimetall-und Europiumphosphiden und -arseniden der Platinmetalle mit 1:2:2-Stöchiometrie (AM 2 X 2 ) sind bereits eine ganze Reihe strukturell charakterisiert und zum Teil auf ihre physikalischen Eigenschaften hin näher untersucht worden [1]. Sie kristallisieren in der Mehrzahl im ThCr 2 Si 2 -Typ, der von Schichten kantenverknüpfter MX 4 -Tetraeder geprägt wird, zwischen denen sich die Erdalkalimetall-bzw. Europiumatome befinden (M: Platinmetall; X: P, As). Die bevorzugte Bildung dieses Strukturtyps ist auf seine Fähigkeit zurückzuführen, sich unterschiedlichen Atomgrößen nahezu perfekt anzupassen und das Gleichgewicht zwischen kovalenten

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Kristall- und elektronische Strukturen von AIr2P2 (A: Ca — Ba)Professor Welf Bronger zum 70. Geburtstag gewidmet

Cited by 20 publications

References 4 publications

Electron-phonon superconductivity in the ternary phosphidesBaM2P2(M=Ni,Rh,a

Electron-phonon superconductivity in the ternary phosphidesBaM2P2(M=Ni,Rh,a

Superconductivity in 4d and 5d transition metal layered pnictides BaRh2P2, BaIr2P2 and SrIr2As2

Inkommensurabel modulierte Kristallstrukturen und Phasenumwandlungen – Die Verbindungen SrPt₂As₂ und EuPt₂As₂

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Kristall- und elektronische Strukturen von AIr2P2 (A: Ca — Ba)Professor Welf Bronger zum 70. Geburtstag gewidmet

Cited by 20 publications

References 4 publications

Electron-phonon superconductivity in the ternary phosphidesBaM2P2(M=Ni,Rh,a

Electron-phonon superconductivity in the ternary phosphidesBaM2P2(M=Ni,Rh,a

Superconductivity in 4d and 5d transition metal layered pnictides BaRh2P2, BaIr2P2 and SrIr2As2

Inkommensurabel modulierte Kristallstrukturen und Phasenumwandlungen – Die Verbindungen SrPt2As2 und EuPt2As2

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Inkommensurabel modulierte Kristallstrukturen und Phasenumwandlungen – Die Verbindungen SrPt₂As₂ und EuPt₂As₂