Phases of the NiAs family in Cu-Pd-Sn and Au-Pd-Sn systems

Kareva, M. A.; Kabanova, E. G.; Zhmurko, G. P.; Kuznetsov, V. N.; Yatsenko, A. V.

doi:10.1134/s0036023612030114

Cited by 13 publications

(9 citation statements)

References 9 publications

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“…HgSr3 [309],PdSi [310],PdSn [311] 63 Z2 × Z4 BaGe [312],BaSi [313], BaSn [314],Ba3Pb5 [315],Ba5Cd2FSb5 [316], CaGe [317],CaSn [318] Cd2FSb5Sr5 [319],PbSr [320],SnSr [321] [329],As3RbZn4 [329],CPd3Sn [330], Pd3Sn [331] 127 Z4 × Z8 B4Ca [332] 129 Z2 × Z4 AsGeNb [333],GeHfS [334,335],GeHfSe [334,335],GeHfTe [334,335],GeNbSb [336],GeSZr [337] GeSeZr [334],HfSSi [334,335],HfSeSi [334,335],OSiZr [334],SSiZr [338],SeSiZr [338],SiTeZr [338],SnTeZr [338]…”

Section: Topological Crystalline Insulatorsmentioning

confidence: 99%

Towards ideal topological materials: Comprehensive database searches using symmetry indicators

Tang,

Po,

Vishwanath

et al. 2018

Preprint

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Topological materials (TMs) showcase intriguing physical properties defying expectations based on conventional materials, and hold promise for the development of devices with new functionalities. While several theoretically proposed TMs have been experimentally confirmed, extensive experimental exploration of topological properties as well as applications in realistic devices have been held back due to the lack of excellent TMs in which interference from trivial Fermi surface states are minimized. We tackle this problem in the present work by applying our recently developed method of symmetry indicators to all non-magnetic compounds in the 230 space groups. An exhaustive database search reveals thousands of TM candidates. Of these, we highlight the excellent TMs, the 258 topological insulators and 165 topological crystalline insulators which have either noticeable full band gap or a considerable direct gap together with small trivial Fermi pockets. We also give a list of 489 topological semimetals with the band crossing points located near the Fermi level. All predictions obtained through standard generalized gradient approximation (GGA) calculations were cross-checked with the modified Becke-Johnson (MBJ) potential calculations, appropriate for narrow gap materials. With the electronic and optical behavior around the Fermi level dominated by the topologically non-trivial bands, these newly found TMs candidates open wide possibilities for realizing the promise of TMs in next-generation electronic devices.

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Section: Topological Crystalline Insulatorsmentioning

confidence: 99%

Towards ideal topological materials: Comprehensive database searches using symmetry indicators

Tang,

Po,

Vishwanath

et al. 2018

Preprint

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“…Viscosity is one of the most important physical properties of melts. It is a structure-sensitive characteristic, so it can be used in the analysis of various physical and chemical processes in liquid melts to improve the technology of obtaining various alloys [1][2][3][4][5][6][7][8][9][10][11]. In solving such questions, phase diagrams of alloys, which reflect all phase transitions, are considered.…”

Section: Introductionmentioning

confidence: 99%

Relationship between temperature dependence of viscosity of Cu – Sn alloys and phase diagram of state

Makasheva¹,

Malyshev²,

BEKBAYEVA³

2023

nfm

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The relationship between the liquidus line and viscosity isotherms was established for the copper-tin system based on the partial-cluster model within the concept of chaotic particles. The equations of temperature dependences of dynamic viscosity for copper and tin melts, as well as for the partial-cluster model of Cu -Sn alloy at different temperatures are derived. The shapes of the liquidus line curves duplicate the viscosity isotherms from the calculated data, which use smoothed temperature dependences for pure metals Cu and Sn, as well as different thermal chaotization barriers during the transformation of the alloy to the liquid state. The cause of deviation from the regularity of the general features of the liquidus line and viscosity isotherms was found. It consists in the formation of associated complexes of the CuxSny type, which are statistically stable chemical groupings without separation into a separate phase. These complexes (clusters) are in dynamic equilibrium with the solution matrix, characterized by a disorderly distribution of atoms. The formation of such groups is accompanied by the release of heat. This is accounted for in the partial-cluster viscosity model as an additional thermal barrier to chaotization during cluster fracture with further heating of the melt. Consideration of the new component made it possible to obtain an adequate dependence of the viscosity of Cu -Sn alloy on its composition and the thermal barrier on the liquidus line at 1100 °С. Directions for further determination of the model with the purpose of its refinement and wide use in adapting it to experimental data on viscosity at high temperatures of melts from their state diagrams are outlined and verified.

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“…The prototype could be either NiAs or Ni2In. Based on ternary phase diagram measurements [14,24,25], most probably γ_Pd2Sn is of Ni2In type. However, the Ni2In structure still broadly belongs to the NiAs family, phases of Ni2In and NiAs type can form continuous solid solution in ternary system [25].…”

Section: Introductionmentioning

confidence: 99%

“…Based on ternary phase diagram measurements [14,24,25], most probably γ_Pd2Sn is of Ni2In type. However, the Ni2In structure still broadly belongs to the NiAs family, phases of Ni2In and NiAs type can form continuous solid solution in ternary system [25]. The Ni2In structure can be derived by Ni atoms filling of the vacant positions in the NiAs structure.…”

Section: Introductionmentioning

confidence: 99%

“…The Ni2In structure can be derived by Ni atoms filling of the vacant positions in the NiAs structure. There is no problem to model γ_Pd2Sn phase using a sublattice model of the NiAs structure, since there are solid solutions with two end-member compounds of respectively NiAs and Ni2In structure [25]. In addition, the structural information for the α_Pd3Sn2, β_Pd3Sn2, and δ_Pd3Sn2 phases are still largely unavailable, and these three phases form in a very narrow composition range [26].…”

Section: Introductionmentioning

confidence: 99%

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