I. Opahle

activity

20042023

most citedRevision of model parameters for kappa-type charge transfer salts: an ab initio study

195 citations · 1.1k across the 25 of their papers we have counts for

collaborators

Showing 2008Show all

3 papers · 1 filter

cond-mat.mtrl-sci2008★ 51 cited

Jahn-Teller like origin of the tetragonal distortion in disordered Fe-Pd magnetic shape memory alloys

Ingo Opahle, Klaus Koepernik, Ulrike Nitzsche +1

The electronic structure and magnetic properties of disordered Fe $_{x}$ Pd $_{100 - x}$ alloys $(50 < x < 85)$ are investigated in the framework of density functional theory using the…

cond-mat.supr-con2008★ 60 cited

Microscopic origin of pressure-induced phase transitions in iron-pnictide $A F e_{2} A s_{2}$ superconductors: an {ab initio} molecular-dynamics study

Yu-Zhong Zhang, Hem C. Kandpal, Ingo Opahle +2

Using {\it ab initio} molecular dynamics we investigate the electronic and lattice structure of $A$ Fe $_{2}$ As $_{2}$ ( $A$ =Ca, Sr, Ba) under pressure. We find that the structural phase t…

cond-mat.supr-con2008★ 40 cited

Proximity of LaOFeAs to a magnetic instability

I. Opahle, H. C. Kandpal, Y. Zhang +2

We investigate the effect of external pressure on the Fe magnetic moment in undoped LaOFeAs within the framework of density functional theory and show that this system is close to…

Jahn-Teller like origin of the tetragonal distortion in disordered Fe-Pd magnetic shape memory alloys

Microscopic origin of pressure-induced phase transitions in iron-pnictide AFe2​As2​ superconductors: an {ab initio} molecular-dynamics study

Proximity of LaOFeAs to a magnetic instability

Microscopic origin of pressure-induced phase transitions in iron-pnictide $A F e_{2} A s_{2}$ superconductors: an {ab initio} molecular-dynamics study