The electronic structure of MgY2H6+δ high-pressure hydride

Materials Transactions

Volumn 44, Issue 4, 2003, Pages 583-588

  Takamura, Hitoshi ^a   Goto, Yasuyuki ^a   Kamegawa, Atsunori ^a   Okada, Masuo ^a  

^a TOHOKU UNIVERSITY   (Japan)

Author keywords

Charge density; Density of states; Electronic structure; Full potential linearized augmented plane wave method; High pressure hydride; Magnesium yttrium based hydride

Indexed keywords

ATOMS; BAND STRUCTURE; CHEMICAL BONDS; CRYSTAL STRUCTURE; DESORPTION; ELECTRONIC DENSITY OF STATES; FERMI LEVEL; HIGH PRESSURE EFFECTS; HYDRIDES; HYDROGEN; MATHEMATICAL MODELS; OPTIMIZATION;

CONDUCTION BAND; FULL POTENTIAL LINEARIZED AUGMENTED PLANE WAVE METHOD; HIGH-PRESSURE HYDRIDE; MAGNESIUM-YTTRIUM BASED HYDRIDE; VALENCE BAND;

MAGNESIUM ALLOYS;

EID: 0038819480     PISSN: 13459678     EISSN: None     Source Type: Journal    
DOI: 10.2320/matertrans.44.583     Document Type: Article

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