Quasi‐hydrostatic compression of magnesium oxide to 52 GPa: Implications for the pressure‐volume‐temperature equation of state

Speziale, S.; Zha, Chang‐Sheng; Duffy, Thomas S.; Hemley, Russell J.; Mao, Ho‐kwang

doi:10.1029/2000jb900318

Cited by 413 publications

(365 citation statements)

References 76 publications

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“…The calculated lattice parameters and bulk modulus are tabulated in Table 1, and they are in good agreement with previously reported results (Y. Fei, 1999) [13], (S. Speziale, 2001) [14], (T. Tsuchiya, 2001) [15], (J.E. Jaffe, 2000) [16].…”

Section: Structural Properties and Stabilitysupporting

confidence: 89%

First Principles Investigation of Half-Metallic Ferromagnetism in Alkaline-Earth Oxides Doped with Group VII Elements

Yogeswari¹,

Kalpana

2016

ScieXplore: International Journal of Research in Science

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Alkaline-earth oxides (AeO; Ae = Mg, Ca and Sr) doped with group VII (F, Cl, Br and I) elements as promising spin-injector materials have been investigated by using first principles full-potential linearized augmented plane-wave method. The substitution of group VII elements turns the insulator host AeO into ferromagnetic and some of them exhibit half-metallic ferromagnetic property with an integer magnetic moment of 3.00 µ B /cell. The spin-resolved electronic band structure and density of states show that the Ae 0.875 M 0.125 O compounds exhibit spin-dependent transport properties, in which the conduction proceeds entirely via the minority spin state in F-doped AeO and through majority spin state in Cl, Br and I-doped CaO and SrO. The comparison of local spin density approximation and generalized gradient approximation is also carried out. The results show that the origin of ferromagnetism in Ae 0.875 M 0.125 O is attributed to the p-p hybridization interaction between group VII elements and oxygen.

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Section: Structural Properties and Stabilitysupporting

confidence: 89%

First Principles Investigation of Half-Metallic Ferromagnetism in Alkaline-Earth Oxides Doped with Group VII Elements

Yogeswari¹,

Kalpana

2016

ScieXplore: International Journal of Research in Science

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“…Based on these observations, the decom- (Anderson et al, 1989). 2) Pressure calculated by the equation of state of MgO (Speziale et al, 2001).…”

Section: Resultsmentioning

confidence: 99%

“…The mantle geotherm was based on Akaogi and Ito (1993). Pressure of the postspinel phase boundary is estimated by the equation of state of MgO (Speziale et al, 2001;Fei et al, 2004). scopes installed at The University of Tokyo or Tohoku University using Ar ion lasers of 514.5 nm with 6 mW or 488 nm with 24 mW, respectively.…”

Section: Sample and Methodsmentioning

confidence: 99%

“…1): Sano et al (2004) reported that phase Egg is stable only in the transition zone, whereas Pamato et al (2015) reported that it could be stable down to the top of the lower mantle. The difference partly results from the use of different pressure scales: Au (Anderson et al, 1989) in Sano et al (2004) and MgO (Speziale et al, 2001) in Pamato et al (2015). Here we modified the stability filed of phase Egg determined by Sano et al (2004) based on the post-spinel boundaries determined by Fei et al (2004) (Fig.…”

Section: Introductionmentioning

confidence: 99%

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Stability field of phase Egg, AlSiO<sub>3</sub>OH at high pressure and high temperature: possible water reservoir in mantle transition zone

Fukuyama

Ohtani

Shibazaki

et al. 2017

Journal of Mineralogical and Petrological Sciences

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High-pressure and high-temperature experiments were conducted to determine the stability field of phase Egg, AlSiO 3 OH, in the pressure range of 16.5-23.5 GPa and in the temperature range of 800-1500°C. We found that phase Egg decomposes to δ-AlOOH + stishovite below~1200°C (16.5 GPa and 800°C; 20.6 GPa and 1000°C) and to Al-phase D + corundum + stishovite above~1200°C (21.8 GPa and 1500°C) at P-T conditions corresponding to the mantle transition zone.This indicates that phase Egg is unstable at the top of the lower mantle and can be a water reservoir only in the mantle transition zone. In addition, the present results imply that the superdeep diamonds that include phase Egg do not originate from the lower mantle but from the wet mantle transition zone.

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“…The largest discrepancy was for NaCl where our result although too large by 20% was somewhat better than LDA. [41][42][43] (h) Ref 44,45 Next we consider the fundamental band-gaps. The values of ( ) Table 1 were used to compute the fundamental band-gaps of different materials.…”

Section: The Effect Of the Range-parameter On The Band Structurementioning

confidence: 99%

A new generalized Kohn–Sham method for fundamental band-gaps in solids

Eisenberg

Baer

2009

Phys. Chem. Chem. Phys.

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Quasi‐hydrostatic compression of magnesium oxide to 52 GPa: Implications for the pressure‐volume‐temperature equation of state

Cited by 413 publications

References 76 publications

First Principles Investigation of Half-Metallic Ferromagnetism in Alkaline-Earth Oxides Doped with Group VII Elements

First Principles Investigation of Half-Metallic Ferromagnetism in Alkaline-Earth Oxides Doped with Group VII Elements

Stability field of phase Egg, AlSiO<sub>3</sub>OH at high pressure and high temperature: possible water reservoir in mantle transition zone

A new generalized Kohn–Sham method for fundamental band-gaps in solids

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