W. Temmerman

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cond-mat.str-el2004

Electronic structure of transition metal impurities in p-type ZnO

L. Petit, T. C. Schulthess, A. Svane +3

The self-interaction corrected local spin-density approximation is used to investigate the ground-state valency configuration of transition metal (TM=Mn, Co) impurities in p-type Z…

cond-mat.str-el2004

Pressure Induced Charge Disproportionation in LaMnO $_{3}$

G. Banach, W. M. Temmerman

We present a total energy study as a function of volume in the cubic phase of LaMnO $_{3}$ . A charge disproportionated state into planes of Mn $^{3 +}$ O $_{2}$ /Mn $^{4 +}$ O $_{2}$ was fou…

cond-mat.str-el2003

Half-Metallicity of LSMO

G. Banach, W. M. Temmerman

Self-interaction corrected local spin density approximation calculations were performed for La $_{(1 - x)}$ Sr $_{x}$ MnO $_{3}$ (LSMO) ( $0.0 < x < 0.5$ ). The influence and inter-relationship of…

cond-mat.str-el2003

Ab initio charge, spin and orbital energy scales in LaMnO3

R. Tyer, W. M. Temmerman, Z. Szotek +4

The first-principles SIC-LSD theory is utilized to study electronic, magnetic and orbital phenomena in LaMnO $_{3}$ . The correct ground state is found, which is antiferro orbitally…

Electronic structure of transition metal impurities in p-type ZnO

Pressure Induced Charge Disproportionation in LaMnO3​

Half-Metallicity of LSMO

Ab initio charge, spin and orbital energy scales in LaMnO3

Pressure Induced Charge Disproportionation in LaMnO $_{3}$