Murat Durandurdu 2009 J. Phys.: Condens. Matter 21 452204 doi:10.1088/0953-8984/21/45/452204
New transformation mechanism for a zinc-blende to rocksalt phase transformation in MgS
FREE ARTICLEMurat Durandurdu
Show affiliationsFAST TRACK COMMUNICATION
The stability of the zinc-blende structured MgS is studied using a constant pressure ab initio molecular dynamics technique. A phase transition into a rocksalt structure is observed through the simulation. The zinc-blende to rocksalt phase transformation proceeds via two rhombohedral intermediate phases within R3m (No:160) and 
(No:166) symmetries and does not involve any bond breaking. This mechanism is different from the previously observed mechanism in molecular dynamics simulations.
- PACS
-
64.70.K- Solid–solid transitions
62.50.-p High-pressure effects in solids and liquids
61.50.Ah Theory of crystal structure, crystal symmetry; calculations and modeling
- Subjects
- Dates
-
Issue 45 (11 November 2009)
Received 7 September 2009, in final form 2 October 2009
Published 21 October 2009
-
New transformation mechanism for a zinc-blende to rocksalt phase transformation in MgS
Murat Durandurdu 2009 J. Phys.: Condens. Matter 21 452204
-
Production of antihydrogen at reduced magnetic field for anti-atom trapping
G B Andresen et al 2008 J. Phys. B: At. Mol. Opt. Phys. 41 011001
-
Bounded radial geodesics around a Kerr-Sen black hole
Paul A Blaga and Cristina Blaga 2001 Class. Quantum Grav. 18 3893
-
Frictional quantum decoherence
Bruno Bellomo et al 2007 J. Phys. A: Math. Theor. 40 9437
-
Resolution improvement in emission optical projection tomography
Johnathon R Walls et al 2007 Phys. Med. Biol. 52 2775
-
Background independent quantum gravity: a status report
Abhay Ashtekar and Jerzy Lewandowski 2004 Class. Quantum Grav. 21 R53
-
Lectures on supersymmetry breaking
Kenneth Intriligator and Nathan Seiberg 2007 Class. Quantum Grav. 24 S741
-
Knot theory and a physical state of quantum gravity
Tomáš Liko and Louis H Kauffman 2006 Class. Quantum Grav. 23 R63
-
Physical replicas and the Bose glass in cold atomic gases
S Morrison et al 2008 New J. Phys. 10 073032
-
A critical approach to the concept of a polar, low-altitude LARES satellite
Lorenzo Iorio 2002 Class. Quantum Grav. 19 L175
Users also read
What's this?- Electron spin resonance observation of an interfacial Ge Pb 1-type defect in SiO2/(100)Si1−xGex/SiO2/Si heterostructures
- Superconductivity up to 29 K in SrFe2As2 and BaFe2As2 at high pressures
- Bloch oscillations in carbon nanotubes
Related review articles
What's this?- Photoinduced phase transitions
- Integrable structure of box–ball systems: crystal, Bethe ansatz, ultradiscretization and tropical geometry
- Processes involving clusters and small particles in a buffer gas