caa a22 4500 605487227 CHVBK 20210128100449.0 cr unu---uuuuu 210128e20150601xx s 000 0 eng 10.1007/s00214-015-1675-x doi (NATIONALLICENCE)springer-10.1007/s00214-015-1675-x Tablero C. Instituto de Energía Solar, E.T.S.I. de Telecomunicación, Universidad Politécnica de Madrid, Ciudad Universitaria s/n, 28040, Madrid, Spain aut Optoelectronic property analysis of MCrO4 (M=Ba, Sr) with a response to visible light irradiation [Elektronische Daten] [C. Tablero] Ternary MCrO4 (M=Ba, Sr) semiconductors are materials with a variety of photocatalyst and optoelectronic applications. We present detailed microscopic analyses based on first principles of the structure, the electronic properties and the optical absorption in which the difference between symmetrically non-equivalent atoms has been considered. The high absorption coefficients of these materials are split into chemical species contributions in accordance with the symmetry. The high optical absorption in these materials is mainly because of the Cr-O inter-species transitions. Springer-Verlag Berlin Heidelberg, 2015 Optoelectronic properties nationallicence Semiconductors nationallicence Photovoltaics nationallicence Theoretical Chemistry Accounts Springer Berlin Heidelberg 134/6(2015-06-01), 1-6 1432-881X 134:6<1 2015 134 214 https://doi.org/10.1007/s00214-015-1675-x text/html Onlinezugriff via DOI BK010053 XK010053 XK010000 Metadata rights reserved Springer special CC-BY-NC licence nationallicence 1 research-article jats NATIONALLICENCE NATIONALLICENCE NL-springer NATIONALLICENCE 856 40 https://doi.org/10.1007/s00214-015-1675-x text/html Onlinezugriff via DOI NATIONALLICENCE 100 1- Tablero C. Instituto de Energía Solar, E.T.S.I. de Telecomunicación, Universidad Politécnica de Madrid, Ciudad Universitaria s/n, 28040, Madrid, Spain aut NATIONALLICENCE 773 0- Theoretical Chemistry Accounts Springer Berlin Heidelberg 134/6(2015-06-01), 1-6 1432-881X 134:6<1 2015 134 214