Literature DB >> 24572313

Brillouin-zone database on the Bilbao Crystallographic Server.

Mois I Aroyo1, Danel Orobengoa1, Gemma de la Flor1, Emre S Tasci2, J Manuel Perez-Mato1, Hans Wondratschek3.   

Abstract

The Brillouin-zone database of the Bilbao Crystallographic Server (http://www.cryst.ehu.es) offers k-vector tables and figures which form the background of a classification of the irreducible representations of all 230 space groups. The symmetry properties of the wavevectors are described by the so-called reciprocal-space groups and this classification scheme is compared with the classification of Cracknell et al. [Kronecker Product Tables, Vol. 1, General Introduction and Tables of Irreducible Representations of Space Groups (1979). New York: IFI/Plenum]. The compilation provides a solution to the problems of uniqueness and completeness of space-group representations by specifying the independent parameter ranges of general and special k vectors. Guides to the k-vector tables and figures explain the content and arrangement of the data. Recent improvements and modifications of the Brillouin-zone database, including new tables and figures for the trigonal, hexagonal and monoclinic space groups, are discussed in detail and illustrated by several examples.

Keywords:  Bilbao Crystallographic Server; Brillouin-zone database; reciprocal-space groups

Year:  2014        PMID: 24572313     DOI: 10.1107/S205327331303091X

Source DB:  PubMed          Journal:  Acta Crystallogr A Found Adv        ISSN: 2053-2733            Impact factor:   2.290


  6 in total

1.  First-Principles Calculation of Optoelectronic Properties in 2D Materials: The Polytypic WS2 Case.

Authors:  Louis Maduro; Sabrya E van Heijst; Sonia Conesa-Boj
Journal:  ACS Phys Chem Au       Date:  2022-01-10

2.  Phonon dispersions and Fermi surfaces nesting explaining the variety of charge ordering in titanium-oxypnictides superconductors.

Authors:  Kousuke Nakano; Kenta Hongo; Ryo Maezono
Journal:  Sci Rep       Date:  2016-07-19       Impact factor: 4.379

3.  Refined symmetry indicators for topological superconductors in all space groups.

Authors:  Seishiro Ono; Hoi Chun Po; Haruki Watanabe
Journal:  Sci Adv       Date:  2020-05-01       Impact factor: 14.136

4.  van der Waals driven anharmonic melting of the 3D charge density wave in VSe2.

Authors:  Josu Diego; A H Said; S K Mahatha; Raffaello Bianco; Lorenzo Monacelli; Matteo Calandra; Francesco Mauri; K Rossnagel; Ion Errea; S Blanco-Canosa
Journal:  Nat Commun       Date:  2021-01-26       Impact factor: 14.919

5.  Revealing Weak Dimensional Confinement Effects in Excitonic Silver/Bismuth Double Perovskites.

Authors:  Martina Pantaler; Valentin Diez-Cabanes; Valentin I E Queloz; Albertus Sutanto; Pascal Alexander Schouwink; Mariachiara Pastore; Inés García-Benito; Mohammad Khaja Nazeeruddin; David Beljonne; Doru C Lupascu; Claudio Quarti; Giulia Grancini
Journal:  JACS Au       Date:  2021-12-17

6.  Understanding the Anisotropy in the Electrical Conductivity of CuPtB-type Ordered GaInP Thin Films by Combining In Situ TEM Biasing and First Principles Calculations.

Authors:  Gemma Martín; Catalina Coll; Lluís López-Conesa; José Manuel Rebled; Enrique Barrigón; Iván García; Ignacio Rey-Stolle; Carlos Algora; Albert Cornet; Sònia Estradé; Francesca Peiró
Journal:  ACS Appl Electron Mater       Date:  2022-07-14
  6 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.