Phase transition of LaX (X = P, As, Sb and Bi) at high pressure: Theoretical investigation of the structural and electronic properties

Solid State Communications

Volumn 148, Issue 3-4, 2008, Pages 139-144

  Charifi, Z ^a   Reshak, Ali Hussain ^b,c   Baaziz, H ^a  

^a UNIVERSITY OF M'SILA   (Algeria)

^b UNIVERSITY OF SOUTH BOHEMIA   (Czech Republic)

^c INSTITUTE OF MATHEMATICS   (Czech Republic)

Author keywords

A. Metals; A. Semiconductors; D. Density functional theory (DFT); D. Electronic band structure

Indexed keywords

ARSENIC COMPOUNDS; BAND STRUCTURE; BISMUTH PLATING; ELECTRONIC PROPERTIES; GALLIUM ALLOYS; LANTHANUM; LINEAR EQUATIONS; NANOSTRUCTURED MATERIALS; PHOTOTRANSISTORS; POLYNOMIAL APPROXIMATION; STRONTIUM COMPOUNDS;

A. METALS; A. SEMICONDUCTORS; B1 PHASE; BAND STRUCTURE-CALCULATIONS; BULK MODULUS; CRYSTALLOGRAPHIC PHASE; D. DENSITY FUNCTIONAL THEORY (DFT); D. ELECTRONIC BAND STRUCTURE; ELECTRONIC AND STRUCTURAL PROPERTIES; EQUILIBRIUM LATTICE CONSTANT; EXCHANGE-CORRELATION ENERGIES; FERMI ENERGY; FP-LAPW; FULL-POTENTIAL LINEARIZED AUGMENTED PLANE WAVE; GENERALIZED-GRADIENT APPROXIMATION; GROUND-STATE PROPERTIES; HIGH PRESSURE; HIGH-PRESSURE PHASES; INDIRECT BAND-GAP; LOCAL-DENSITY APPROXIMATION; PHASE TRANSITIONS; PNICTIDES; ROCK SALT STRUCTURES; ROCK SALTS; TETRAGONAL STRUCTURES; TOTAL ENERGIES; TWO PHASES;

CHLORINE COMPOUNDS;

EID: 50849094201     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2008.07.038     Document Type: Article

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