Theoretical Exploration of Structural and Excitonic Properties in Black Phosphorus: From First-Principles to a Semi-Empirical Approach

Author:

Guedes-Sobrinho Diego1ORCID,Caldeira Rêgo Celso R.2ORCID,Da Silva Gabriel Reynald1,Da Silva Henrique R.1,Wenzel W.2ORCID,Piotrowski Maurício J.3ORCID,Cavalheiro Dias Alexandre4ORCID

Affiliation:

1. Chemistry Department, Federal University of Paraná, Curitiba 81531-980, Brazil

2. Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz, Eggenstein-Leopoldshafen 76344, Germany

3. Department of Physics, Federal University of Pelotas, P.O. Box 354, Pelotas, Rio Grande do Sul 96010-900, Brazil

4. Institute of Physics and International Center of Physics, University of Brasília, Brasília 70910900, Brazil

Funder

Bundesministerium f?r Bildung und Forschung

Funda??o de Apoio ? Pesquisa do Distrito Federal

Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico

Funda??o de Amparo ? Pesquisa do Estado do Rio Grande do Sul

Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior

Publisher

American Chemical Society (ACS)

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