Abstract
Motivated by recent spin- and angular-resolved photoemission (SARPES) measurements of the two-dimensional electronic states confined near the (001) surface of oxygen-deficient SrTiO3, we explore their spin structure by means of ab initio density functional theory (DFT) calculations of slabs. Relativistic nonmagnetic DFT calculations display Rashba-like spin winding with a splitting of a few meV and when surface magnetism on the Ti ions is included, bands become spin-split with an energy difference ∼100 meV at the Γ point, consistent with SARPES findings. While magnetism tends to suppress the effects of the relativistic Rashba interaction, signatures of it are still clearly visible in terms of complex spin textures. Furthermore, we observe an atomic specialization phenomenon, namely, two types of electronic contributions: one is from Ti atoms neighboring the oxygen vacancies that acquire rather large magnetic moments and mostly create in-gap states; another comes from the partly polarized t2g itinerant electrons of Ti atoms lying further away from the oxygen vacancy, which form the two-dimensional electron system and are responsible for the Rashba spin winding and the spin splitting at the Fermi surface.
| Original language | English |
|---|---|
| Article number | 157203 |
| Journal | Physical Review Letters |
| Volume | 116 |
| Issue number | 15 |
| DOIs | |
| Publication status | Published - Apr 14 2016 |
| Externally published | Yes |
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ASJC Scopus subject areas
- Physics and Astronomy(all)
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Magnetism, spin texture, and in-gap states : Atomic specialization at the surface of oxygen-deficient SrTiO3. / Altmeyer, Michaela; Jeschke, Harald Olaf; Hijano-Cubelos, Oliver; Martins, Cyril; Lechermann, Frank; Koepernik, Klaus; Santander-Syro, Andrés F.; Rozenberg, Marcelo J.; Valentí, Roser; Gabay, Marc.
In: Physical Review Letters, Vol. 116, No. 15, 157203, 14.04.2016.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Magnetism, spin texture, and in-gap states
T2 - Atomic specialization at the surface of oxygen-deficient SrTiO3
AU - Altmeyer, Michaela
AU - Jeschke, Harald Olaf
AU - Hijano-Cubelos, Oliver
AU - Martins, Cyril
AU - Lechermann, Frank
AU - Koepernik, Klaus
AU - Santander-Syro, Andrés F.
AU - Rozenberg, Marcelo J.
AU - Valentí, Roser
AU - Gabay, Marc
PY - 2016/4/14
Y1 - 2016/4/14
N2 - Motivated by recent spin- and angular-resolved photoemission (SARPES) measurements of the two-dimensional electronic states confined near the (001) surface of oxygen-deficient SrTiO3, we explore their spin structure by means of ab initio density functional theory (DFT) calculations of slabs. Relativistic nonmagnetic DFT calculations display Rashba-like spin winding with a splitting of a few meV and when surface magnetism on the Ti ions is included, bands become spin-split with an energy difference ∼100 meV at the Γ point, consistent with SARPES findings. While magnetism tends to suppress the effects of the relativistic Rashba interaction, signatures of it are still clearly visible in terms of complex spin textures. Furthermore, we observe an atomic specialization phenomenon, namely, two types of electronic contributions: one is from Ti atoms neighboring the oxygen vacancies that acquire rather large magnetic moments and mostly create in-gap states; another comes from the partly polarized t2g itinerant electrons of Ti atoms lying further away from the oxygen vacancy, which form the two-dimensional electron system and are responsible for the Rashba spin winding and the spin splitting at the Fermi surface.
AB - Motivated by recent spin- and angular-resolved photoemission (SARPES) measurements of the two-dimensional electronic states confined near the (001) surface of oxygen-deficient SrTiO3, we explore their spin structure by means of ab initio density functional theory (DFT) calculations of slabs. Relativistic nonmagnetic DFT calculations display Rashba-like spin winding with a splitting of a few meV and when surface magnetism on the Ti ions is included, bands become spin-split with an energy difference ∼100 meV at the Γ point, consistent with SARPES findings. While magnetism tends to suppress the effects of the relativistic Rashba interaction, signatures of it are still clearly visible in terms of complex spin textures. Furthermore, we observe an atomic specialization phenomenon, namely, two types of electronic contributions: one is from Ti atoms neighboring the oxygen vacancies that acquire rather large magnetic moments and mostly create in-gap states; another comes from the partly polarized t2g itinerant electrons of Ti atoms lying further away from the oxygen vacancy, which form the two-dimensional electron system and are responsible for the Rashba spin winding and the spin splitting at the Fermi surface.
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U2 - 10.1103/PhysRevLett.116.157203
DO - 10.1103/PhysRevLett.116.157203
M3 - Article
AN - SCOPUS:84963877227
VL - 116
JO - Physical Review Letters
JF - Physical Review Letters
SN - 0031-9007
IS - 15
M1 - 157203
ER -