Crystal and electronic structures and high-pressure behavior of AgSO 4, a unique narrow band gap antiferromagnetic semiconductor: LDA(+U) picture

Journal of Molecular Modeling

Volumn 17, Issue 9, 2011, Pages 2259-2264

  Derzsi, Mariana ^a   Stasiewicz, Juliusz ^a   Grochala, Wojciech ^a  

^a UNIVERSITY OF WARSAW   (Poland)

Author keywords

Density functional theory; Mixed valence; Silver; Solid state; Sulfate

Indexed keywords

SILVER DERIVATIVE; SILVER SULFATE; SULFATE; UNCLASSIFIED DRUG;

CELL DENSITY; CELL VOLUME; COMPRESSION; CONFERENCE PAPER; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRIC ACTIVITY; ELECTRICITY; LOW DENSITY APPROXIMATION; MAGNETISM; PRESSURE; PRIORITY JOURNAL; SEMICONDUCTOR;

CRYSTALLOGRAPHY; ELECTRONS; MAGNETIC PHENOMENA; MOLECULAR STRUCTURE; PRESSURE; SEMICONDUCTORS; SILVER COMPOUNDS; SULFATES; THERMODYNAMICS;

EID: 80255126244     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-010-0950-y     Document Type: Conference Paper

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