2014
DOI: 10.18524/1815-7459.2006.1.117506
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The Metallization of Alkaline-Earth Chalcogenides Under Pressure

Abstract: ÀííîòàöèÿÌÅÒÀËËÈÇÀÖÈß ÕÀËÜÊÎÃÅÍÈÄΠÙÅËÎ×ÍÎÇÅÌÅËÜÍÛÕ ÌÅÒÀËËΠÏÎÄ ÄÀÂËÅÍÈÅÌ Â. Â. ÏîaeèâàòåíêîÏðîâåäåíû îöåíî÷íûå ðàñ÷åòû äàâëåíèé ìåòàëëèçàöèè â õàëüêîãåíèäàõ ùåëî÷íîçå-ìåëüíûõ ìåòàëëîâ, áàçèðóþùèåñÿ íà ïðèáëèaeåíèè ëîêàëüíîé ïëîòíîñòè è èñïîëüçóþ-ùèå â êà÷åñòâå ïîäãîíêè êîíñòðóèðîâàíèå ïîïðàâîê â ïîòåíöèàë ïîñðåäñòâîì ýëåêòðîí-íîé ïëîòíîñòè, ïîëó÷åííîé â ñàìîñîãëàñîâàííîì ðàñ÷åòå â ðàìêàõ ïðèáëèaeåíèÿ ëîêàëü-íîé ïëîòíîñòè.Êëþ÷åâûå ñëîâà: õàëüêîãåíèäû ùåëî÷íîçåìåëüíûõ ìåòàëëîâ, ïðèáëèaeåíèå ëîêàëüíîé ïëîòíîñò… Show more

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“…Upon compression, these metal oxides usually undergo a body centred cubic CsCl-type (B2) structure and it is well established for MgO, CaO and SrO. Amongst all these compounds, BaO has interesting structural properties and it exhibits a rich polymorphism in the pressure range of 0-1.5 Mbar over the remaining alkaline earth oxides, CaO, [16][17][18][19][20][21][22][23][24] SrO. [16][17][18][19][25][26][27][28][29] Therefore, understanding the high pressure structural and lattice dynamical behavior of BaO is crucial as this can be a possible candidate of the Earth's mantle.…”
Section: Introductionmentioning
confidence: 99%
See 1 more Smart Citation
“…Upon compression, these metal oxides usually undergo a body centred cubic CsCl-type (B2) structure and it is well established for MgO, CaO and SrO. Amongst all these compounds, BaO has interesting structural properties and it exhibits a rich polymorphism in the pressure range of 0-1.5 Mbar over the remaining alkaline earth oxides, CaO, [16][17][18][19][20][21][22][23][24] SrO. [16][17][18][19][25][26][27][28][29] Therefore, understanding the high pressure structural and lattice dynamical behavior of BaO is crucial as this can be a possible candidate of the Earth's mantle.…”
Section: Introductionmentioning
confidence: 99%
“…Amongst all these compounds, BaO has interesting structural properties and it exhibits a rich polymorphism in the pressure range of 0-1.5 Mbar over the remaining alkaline earth oxides, CaO, [16][17][18][19][20][21][22][23][24] SrO. [16][17][18][19][25][26][27][28][29] Therefore, understanding the high pressure structural and lattice dynamical behavior of BaO is crucial as this can be a possible candidate of the Earth's mantle. 12 Several high pressure X-ray diffraction (HP-XRD) measurements 23,[29][30][31][32][33][34][35] and theoretical studies using first principles calculations were focused on exploring the structural phase transitions, 18,21,25,27,[36][37][38][39] metallization, 20,[40][41][42][43][44][45][46] elastic properties, [47][48][49]…”
Section: Introductionmentioning
confidence: 99%