Hydrogen and interstitial Mn complexes in MnxGa1-xAs dilute magnetic semiconductors (Articolo in rivista)

Type

• Articolo in rivista (Classe)
• Prodotto della ricerca (Classe)

Label

• Hydrogen and interstitial Mn complexes in MnxGa1-xAs dilute magnetic semiconductors (Articolo in rivista) (literal)

Anno

• 2008-01-01T00:00:00+01:00 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

• 10.1088/0953-8984/20/12/125215 (literal)

Alternative label

• Filippone F., Mattioli G., Amore Bonapasta A. (2008)
  Hydrogen and interstitial Mn complexes in MnxGa1-xAs dilute magnetic semiconductors
  in Journal of physics. Condensed matter (Online)
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• Filippone F., Mattioli G., Amore Bonapasta A. (literal)

Pagina inizio

• 125215 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 20 (literal)

Rivista

• Journal of physics. Condensed matter (Rivista)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#note

• http://dx.doi.org/10.1088/0953-8984/20/12/125215 (literal)

Note

• ISI Web of Science (WOS) (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• CNR, Ist Struttura Mat, I-00016 Monterotondo, Italy Univ Roma La Sapienza, Dipartimento Chim, I-00185 Rome, Italy (literal)

Titolo

• Hydrogen and interstitial Mn complexes in MnxGa1-xAs dilute magnetic semiconductors (literal)

Abstract

• Complexes formed by H and Mn interstitials (Mn-int) in MnxGa1-xAs dilute magnetic semiconductors (DMSs) have been investigated by using first-principles density functional theory (DFT) methods both in gradient corrected spin density and Hubbard U approximations. In agreement with previous results for complexes of H with substitutional Mn (Mn-Ga), present results confirm the importance of electron correlation effects, as the Hubbard U treatment weakens the H-Mn bonds even in the H-Mn-int complexes. They also indicate that H compensates (without passivating) the Mnint by forming Mn-int-H donor-acceptor (D-A) pairs and, then, Mn-int-H complexes. In the H-Mn-int and H-Mn-Ga complexes, the H-Mn D-A interaction is always mediated by a host atom, thus leading to the formation of H-Ga bonds for interstitial Mn and of H-As bonds for substitutional Mn. This implies quite different H vibrational frequencies for the H-Mn-int and H-Mn-Ga complexes, thus suggesting that H can be used as a probe to discriminate between the two Mn forms through vibrational spectroscopy measurements. Finally, a higher stability of the H-Mn-int with respect to the H-Mn-Ga complexes has been found, which suggests the use of hydrogenation procedures to control the effects of Mnint on the MnxGa1-xAs properties. (literal)

Prodotto di

• Institute of structure of matter (ISM) (Istituto)
• Studi teorici a livello atomico e subnanometrico di difetti e complessi in semiconduttori (MD.P06.004.002) (Modulo)

Autore CNR

• FRANCESCO FILIPPONE (Unità di personale interno)
• ALDO AMORE BONAPASTA (Persona)
• GIUSEPPE MATTIOLI (Persona)

Incoming links:

Autore CNR di

• ALDO AMORE BONAPASTA (Persona)
• FRANCESCO FILIPPONE (Unità di personale interno)
• GIUSEPPE MATTIOLI (Persona)

Prodotto

• Institute of structure of matter (ISM) (Istituto)
• Studi teorici a livello atomico e subnanometrico di difetti e complessi in semiconduttori (MD.P06.004.002) (Modulo)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• Journal of physics. Condensed matter (Rivista)