The phase diagram of the Ca–Si system

Manfrinetti, P.; Fornasini, M. L.; Palenzona, A.

doi:10.1016/s0966-9795(99)00112-0

Cited by 107 publications

(104 citation statements)

References 22 publications

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“…Other binary compounds in the phase diagram calciumÀsilicon at ambient pressure are CaSi 2 (own structure type [15]), Ca 3 Si 4 (own structure type [16]), Ca 14 Si 19 (own structure type [17]), CaSi (CrB structure type [18]), Ca 5 Si 3 (Cr 5 B 3 type [19]) and Ca 2 Si (PbCl 2 type [20]). At high pressures, CaSi 2 shows polymorphic behaviour and forms high-pressure modifications with crystal structures of the ThSi 2 type (4 GPa and 1270 K to 8.7 GPa and 1770 K [21][22][23][24][25]), with trigonal symmetry (9 GPaoPo16 GPa at ambient temperature [26,27]) and with an AlB 2 -like pattern (P416 GPa and ambient temperature [26,27]).…”

Section: Article In Pressmentioning

confidence: 99%

“…In a large fraction thereof, chemical bonding can be described in accordance with the Zintl-Klemm concept. In phases of electropositive metals with germanium like K 8 Ge 44 & 2 or A 8 M 16 Ge 30 (A ¼ Sr, Ba; M ¼ Al, Ga), group 14 elements form polyanions in electron-precise compounds by the formation of electron pairs around defects [1,2] or by substitution of group 14 elements with group 13 atoms [3,4]. In phases MGe 6Àx Ga y , (M ¼ Eu, Sr) the electronprecise composition with x ¼ y ¼ 2 can be synthesized for M ¼ Eu [5] and the corresponding binary strontium germanide with M ¼ Sr, xE0.5 and y ¼ 0 (SrGe 6Àx ) comprises vacancies [6], which indicates that it can fulfill the 8ÀN rule.…”

Section: Introductionmentioning

confidence: 99%

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High-pressure synthesis of the electron-excess compound CaSi₆

Wosylus

Prots

Burkhardt

et al. 2007

Science and Technology of Advanced Materials

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The binary phase CaSi 6 is prepared at a pressure of 10(1) GPa and a temperature of 1520(150) K. X-ray single-crystal structure refinements and powder diffraction data of quenched samples reveal that the compound crystallizes in the orthorhombic crystal system (space group Cmcm, a ¼ 4.4953(5) Å , b ¼ 10.078(1) Å , c ¼ 11.469(1) Å ). At ambient pressure, exothermic decomposition into CaSi 2 and Si at 737(5) K indicates that the compound is a metastable high-pressure phase. Physical property measurements reveal that the new hexasilicide is diamagnetic and a bad metallic conductor, with resistivity rE900 mO cm at 300 K. r

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Section: Article In Pressmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

High-pressure synthesis of the electron-excess compound CaSi₆

Wosylus

Prots

Burkhardt

et al. 2007

Science and Technology of Advanced Materials

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“…The electrochemical formation of Si-based alloys with calcium has, to the best of our knowledge, not been investigated to date. Yet, in light of the existing knowledge on the Ca-Si phase diagram [9], it seems that it could be feasible. Voltammetry (CV, 0.05 mV/s, between 2 and 3.5V vs. Ca 2+ /Ca passivated ) were carried out at 100ºC using a Bio-Logic VMP3 potentiostat.…”

Section: Introductionmentioning

confidence: 99%

Assessing Si-based anodes for Ca-ion batteries: Electrochemical decalciation of CaSi2

Ponrouch

Tchitchekova

Frontera

et al. 2016

Electrochemistry Communications

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Density Functional Theory (DFT) calculations are used to investigate basic electrochemical characteristics of Si-based anodes in Calcium Ion Batteries (CIBs). The calculated average voltage of Ca alloying with fcc-Si to form the intermetallic Ca x Si phases (0.5 < x ≤2) is of 0.4V, with a volume variation of 306%. Decalciation of the lower Ca content phase, CaSi 2, is predicted at an average voltage between 0.57 V (formation of Si-fcc, 65% volume variation) and 1.2 V (formation of metastable deinserted-Si phase, 29% volume variation). Experiments carried out in conventional alkyl carbonate electrolytes do evidence that electrochemical "decalciation" of CaSi 2 is possible at moderate temperatures. The decalciation process from CaSi 2 is confirmed by different characterization techniques.

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“…3(a), area (1)) with epitaxial relations: hR6-CaSi2[100]||Si [1][2][3][4][5][6][7][8][9][10] and hR6-CaSi2(001)||Si(111). The identification of the SA FFT pattern for area (1) results in the un-defective CaSi2 layer growth on Si(111)7x7 surface without stacking faults in 3-4 unit cell thickness.…”

Section: Resultsmentioning

confidence: 99%

“…It is known that CaSi2 as a compound in the Ca-Si system with a maximum silicon concentration [1], it is a metal according to the theoretical work [3]. At atmospheric pressure a rhombohedral CaSi2 structure with a space group R-3m and two modifications hR3 and hR6 has been observed [4]. The main problems for the CaSi2 film's growth on Si substrate are the parameter mismatch of CaSi2 and Si(111) crystal lattices (0.4-1.0%) [5] and near three-fold increase in CaSi2 thermal expansion coefficient as compared with one for silicon at the growth temperature [6].…”

Section: Introductionmentioning

confidence: 98%

Epitaxial relations, crystalline structure and defects in the double Si(111)/hR6 CaSi₂/Si(111) heterostructures

Галкин¹,

Dotsenko²,

Galkin³

et al. 2017

Proc. Asia-Pacific Conf. On Semiconducting Silicides and Related Materials 2016

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The morphology and crystalline structure of Si(111)/CaSi2/Si(111) double heterostructures (DHS) formed by the Ca reactive deposition epitaxy on the Si(111)7x7 surface and Si overgrowth at 500 o C have been studied by atomic force microscopy and transmission electron microscopy. It was established that stressed CaSi2 layers with stacking faults in (001)CaSi2 plane and {111}-twinned epitaxial or polycrystalline Si layers were grown. Epitaxial Si layers while had orientation parallel to the Si(111) substrate surface. CaSi2[100]||Si[1-10] and CaSi2(001)||Si(111) epitaxial relations were conserved for all grown DHS and they did not depend from the silicon growth mode: molecular beam epitaxy (MBE) or solid phase epitaxy (SPE). The CaSi2 layer in (001)CaSi2 plane has a hR6 modification and parameters: a=0.393±0.002 nm; c=3.09±0.18 nm at SPE Si growth mode. But some another parameters: a=0.382±0.002 nm; c=3.09 ±0.18 nm were observed at MBE Si growth mode. The compression in c parameter on near 1.07-1.14% as compared with c-value (3.06 nm) for tabular CaSi2 data is established fact for both HDS. The observed differences in a parameter +1.85% (at SPE mode) and -1.08% (at MBE mode) is not clear now, and demands additional experiments. Some assumptions about mechanisms of occurrence and distribution of compressions and stretching in the CaSi2 lattice were made.

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The phase diagram of the Ca–Si system

Cited by 107 publications

References 22 publications

High-pressure synthesis of the electron-excess compound CaSi₆

High-pressure synthesis of the electron-excess compound CaSi₆

Assessing Si-based anodes for Ca-ion batteries: Electrochemical decalciation of CaSi2

Epitaxial relations, crystalline structure and defects in the double Si(111)/hR6 CaSi₂/Si(111) heterostructures

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The phase diagram of the Ca–Si system

Cited by 107 publications

References 22 publications

High-pressure synthesis of the electron-excess compound CaSi6

High-pressure synthesis of the electron-excess compound CaSi6

Assessing Si-based anodes for Ca-ion batteries: Electrochemical decalciation of CaSi2

Epitaxial relations, crystalline structure and defects in the double Si(111)/hR6 CaSi2/Si(111) heterostructures

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Product

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High-pressure synthesis of the electron-excess compound CaSi₆

High-pressure synthesis of the electron-excess compound CaSi₆

Epitaxial relations, crystalline structure and defects in the double Si(111)/hR6 CaSi₂/Si(111) heterostructures