R. Pentcheva

most citedPartial dissociation of water on Fe

_{3}

_{4}

(001): adsorbate induced charge and orbital order

109 citations · 111 across the 2 of their papers we have counts for

collaborators

2 papers

cond-mat.mtrl-sci2009★ 109 cited

Partial dissociation of water on Fe $_{3}$ O $_{4}$ (001): adsorbate induced charge and orbital order

Narasimham Mulakaluri, Rossitza Pentcheva, Maria Wieland +2

The interaction of water with Fe $_{3}$ O $_{4}$ (001) is studied by density functional theory (DFT) calculations including an on-site Coulomb term. For isolated molecules dissociative ads…

cond-mat.mtrl-sci2009★ 2 cited

Effect of strain on the stability and electronic properties of ferrimagnetic Fe $_{2 - x}$ Ti $_{x}$ O $_{3}$ heterostructures from correlated band theory

Hasan Sadat Nabi, Rossitza Pentcheva

Based on density functional theory (DFT) calculations including an on-site Hubbard $U$ term we investigate the effect of substrate-induced strain on the properties of ferrimagnetic…

Partial dissociation of water on Fe3​O4​(001): adsorbate induced charge and orbital order

Effect of strain on the stability and electronic properties of ferrimagnetic Fe2−x​Tix​O3​ heterostructures from correlated band theory

Partial dissociation of water on Fe $_{3}$ O $_{4}$ (001): adsorbate induced charge and orbital order

Effect of strain on the stability and electronic properties of ferrimagnetic Fe $_{2 - x}$ Ti $_{x}$ O $_{3}$ heterostructures from correlated band theory