We consider a real periodic Schrödinger operator and a physically relevant family of m ≥ 1 Bloch bands, separated by a gap from the rest of the spectrum, and we investigate the localization properties of the corresponding composite Wannier functions. To this aim, we show that in dimension d ≤ 3, there exists a global frame consisting of smooth quasi-Bloch functions which are both periodic and time-reversal symmetric. Aiming to applications in computational physics, we provide a constructive algorithm to obtain such a Bloch frame. The construction yields the existence of a basis of composite Wannier functions which are real-valued and almost-exponentially localized. The proof of the main result exploits only the fundamental symmetries of the projector on the relevant bands, allowing applications, beyond the model specified above, to a broad range of gapped periodic quantum systems with a time-reversal symmetry of bosonic type.

Construction of Real-Valued Localized Composite Wannier Functions for Insulators / Fiorenza, Domenico; Monaco, Domenico; Panati, Gianluca. - In: ANNALES HENRI POINCARE'. - ISSN 1424-0637. - STAMPA. - 17:1(2016), pp. 63-97. [10.1007/s00023-015-0400-6]

Construction of Real-Valued Localized Composite Wannier Functions for Insulators

FIORENZA, DOMENICO;Domenico Monaco;PANATI, GIANLUCA
2016

Abstract

We consider a real periodic Schrödinger operator and a physically relevant family of m ≥ 1 Bloch bands, separated by a gap from the rest of the spectrum, and we investigate the localization properties of the corresponding composite Wannier functions. To this aim, we show that in dimension d ≤ 3, there exists a global frame consisting of smooth quasi-Bloch functions which are both periodic and time-reversal symmetric. Aiming to applications in computational physics, we provide a constructive algorithm to obtain such a Bloch frame. The construction yields the existence of a basis of composite Wannier functions which are real-valued and almost-exponentially localized. The proof of the main result exploits only the fundamental symmetries of the projector on the relevant bands, allowing applications, beyond the model specified above, to a broad range of gapped periodic quantum systems with a time-reversal symmetry of bosonic type.
2016
electronic-structure; Bloch electrons; dynamics
01 Pubblicazione su rivista::01a Articolo in rivista
Construction of Real-Valued Localized Composite Wannier Functions for Insulators / Fiorenza, Domenico; Monaco, Domenico; Panati, Gianluca. - In: ANNALES HENRI POINCARE'. - ISSN 1424-0637. - STAMPA. - 17:1(2016), pp. 63-97. [10.1007/s00023-015-0400-6]
File allegati a questo prodotto
File Dimensione Formato  
Fiorenza_Construction-of-real_2016.pdf

solo gestori archivio

Note: Post-print
Tipologia: Documento in Post-print (versione successiva alla peer review e accettata per la pubblicazione)
Licenza: Tutti i diritti riservati (All rights reserved)
Dimensione 613.58 kB
Formato Adobe PDF
613.58 kB Adobe PDF   Contatta l'autore
Fiorenza_preprint_Construction-of-real_2016.pdf

accesso aperto

Tipologia: Documento in Pre-print (manoscritto inviato all'editore, precedente alla peer review)
Licenza: Creative commons
Dimensione 578.34 kB
Formato Unknown
578.34 kB Unknown

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/778319
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 28
  • ???jsp.display-item.citation.isi??? 25
social impact