PMID- 23315204
OWN - NLM
STAT- MEDLINE
DCOM- 20130627
LR  - 20130121
IS  - 1361-648X (Electronic)
IS  - 0953-8984 (Linking)
VI  - 25
IP  - 6
DP  - 2013 Feb 13
TI  - Effect of spin-orbit coupling on magnetic and orbital order in MgV2O4.
PG  - 065503
LID - 10.1088/0953-8984/25/6/065503 [doi]
AB  - Recent measurements on MgV(2)O(4) single crystals have reignited the debate on 
      the role of spin-orbit (SO) coupling in dictating the orbital order in vanadium 
      spinel systems. Density functional theory calculations were performed using the 
      full-potential linearized augmented-plane-wave method within the local spin 
      density approximation (LSDA), Coulomb correlated LSDA (i.e. LSDA + U), and with 
      SO interaction (LSDA + U + SO) to study the magnetic and orbital ordering in the 
      low temperature phase of MgV(2)O(4). It is observed that, in the experimental 
      antiferromagnetic phase, the spin-orbit coupling affects the orbital order 
      differently in alternate V-atom chains along the c-axis. This observation is 
      consistent with the experimental prediction that the effect of spin-orbit 
      coupling is intermediate between those in the cases of ZnV(2)O(4) and MnV(2)O(4).
FAU - Kaur, Ramandeep
AU  - Kaur R
AD  - Department of Physics, Indian Institute of Technology Roorkee, Roorkee-247667, 
      Uttarakhand, India.
FAU - Maitra, Tulika
AU  - Maitra T
FAU - Nautiyal, Tashi
AU  - Nautiyal T
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20130111
PL  - England
TA  - J Phys Condens Matter
JT  - Journal of physics. Condensed matter : an Institute of Physics journal
JID - 101165248
RN  - 0 (Magnesium Compounds)
RN  - 0 (Oxides)
RN  - 0 (Vanadium Compounds)
SB  - IM
MH  - Computer Simulation
MH  - *Electron Spin Resonance Spectroscopy
MH  - Magnesium Compounds/*chemistry
MH  - *Magnetic Fields
MH  - Models, Chemical
MH  - Oxides/*chemistry
MH  - *Quantum Theory
MH  - Vanadium Compounds/*chemistry
EDAT- 2013/01/15 06:00
MHDA- 2013/06/29 06:00
CRDT- 2013/01/15 06:00
PHST- 2013/01/15 06:00 [entrez]
PHST- 2013/01/15 06:00 [pubmed]
PHST- 2013/06/29 06:00 [medline]
AID - 10.1088/0953-8984/25/6/065503 [doi]
PST - ppublish
SO  - J Phys Condens Matter. 2013 Feb 13;25(6):065503. doi: 
      10.1088/0953-8984/25/6/065503. Epub 2013 Jan 11.