Diamond under pressure: AB-initio calculations of the equation of state and optical phonon frequency revisited

High Pressure Research

Volumn 24, Issue 1, 2004, Pages 101-110

  Kunc, K ^a,b   Loa, I ^a   Syassen, K ^a  

^a MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

^b CNRS   (France)

Author keywords

Diamond; High pressure effects in solids (62.50. +p); Phonons in crystal lattices (63.20. e); Ruby pressure calibration; Total energy calculations (71.15.nc)

Indexed keywords

APPROXIMATION THEORY; CALIBRATION; COMPACTION; COMPUTATIONAL METHODS; DIAMONDS; HIGH PRESSURE EFFECTS IN SOLIDS; HYDROSTATIC PRESSURE; LUMINESCENCE; PHONONS; PROBABILITY DENSITY FUNCTION;

OPTICAL PHONON FREQUENCY; PHONONS IN CRYSTAL LATTICES; RUBY PRESSURE CALIBRATIONS; TOTAL ENERGY CALCULATIONS;

EQUATIONS OF STATE;

EID: 4644331892     PISSN: 08957959     EISSN: None     Source Type: Journal    
DOI: 10.1080/08957950310001635765     Document Type: Conference Paper

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