Theoretical study of properties of goethite (α-FeOOH) at ambient and high-pressure conditions

Journal of Physical Chemistry C

Volumn 116, Issue 11, 2012, Pages 6703-6713

  Tunega, Daniel ^a  

^a UNIVERSITY OF NATURAL RESOURCES AND LIFE SCIENCES   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

AMBIENT CONDITIONS; ANTIFERROMAGNETICS; ELECTRONIC BAND GAPS; EXPERIMENTAL DATA; EXPERIMENTAL VALUES; HIGH SPIN STATE; HIGH SPINS; HIGH-PRESSURE CONDITION; HIGH-SPIN GROUND STATE; HYBRID DFT; LOW-PRESSURE CONDITIONS; PRESSURE RANGES; SPIN STATE; SPIN-POLARIZED DENSITY FUNCTIONAL THEORY; STRETCHING MODES; STRUCTURAL CHANNELS; STRUCTURAL PARAMETER; THEORETICAL STUDY; VOLUME COMPRESSION;

ANTIFERROMAGNETIC MATERIALS; ANTIFERROMAGNETISM; ENERGY GAP; EXPERIMENTS; HYDROGEN BONDS; MAGNETIC MOMENTS; MECHANICAL PROPERTIES; SPIN DYNAMICS;

LANTHANUM COMPOUNDS;

EID: 84858777766     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp2091297     Document Type: Article

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