Results 71 to 80 of about 23,096 (291)

Machine learning-enhanced band gaps prediction for low-symmetry double and layered perovskites

Scientific Reports
Density functional theory (DFT) calculations are widely used for material property prediction, but their computational cost can hinder the discovery of novel perovskites.
Alireza Sabagh Moeini, Fatemeh Shariatmadar Tehrani, Alireza Naeimi-Sadigh   +2 more
doaj   +1 more source

Crystal structure, mechanical, electronic, optical and thermoelectric characteristics of Cs2MCl6 (M = Se, Sn, Te and Ti) cubic double perovskites

Results in Physics
The crystal structure, mechanical, electronic, optical and thermoelectric characteristics of Cs2MCl6 (M = Se, Sn, Te and Ti) cubic double perovskites are studied within GGA, GGA-mBJ and EV-GGA functionals.
K. Bouferrache, M.A. Ghebouli, B. Ghebouli, Mohamed A. Habila, T. Chihi, M. Fatmi, A. Djemli, Mika Sillanpaa   +7 more
doaj   +1 more source

Structural and doping effects in the half-metallic double perovskite $A_2$CrWO$_6$

, 2003
he structural, transport, magnetic and optical properties of the double perovskite $A_2$CrWO$_6$ with $A=\text{Sr, Ba, Ca}$ have been studied. By varying the alkaline earth ion on the $A$ site, the influence of steric effects on the Curie temperature ...
A. Arulraj, A. Erb, A. Ogale, A.K. Azad, A.K. Azad, A.K. Azad, A.K. Azad, A.W. Sleight, Bog-Gi Kim, C. Ritter, D. D. Sarma, D. Serrate, D. Topwal, D.D. Sarma, D.D. Sarma, D.D. Sarma, F. Galasso, F.K. Patterson, F.K. Patterson, G. Popov, H. Kato, H. Kato, H.Y. Hwang, Horng-Tay Jeng, J. B. Philipp, J. Gopalakrishnan, J. Kanamori, J. Longo, J. Navarro, J. Simon, J.B. Philipp, J.B. Philipp, J.M. Dai, J.P. Zhou, J.S. Park, K. Phillips, K.-I. Kobayashi, K.-I. Kobayashi, K.-I. Kobayashi, L. Alff, Ll. Balcells, M. García-Hernández, M. Imada, M. Itoh, M. S. Brandt, M. Shikano, M. Tovar, M.T. Anderson, M.W. Lufaso, O.K. Andersen, P. Majewski, R. Gross, R. Gross, R.D. Shannon, R.P. Borges, S.A. Wolf, T. Graf, T. Saha-Dasgupta, T. Walther, W. Mader, W. Prellier, W. Westerburg, W.H. Song, Y. Moritomo, Y. Moritomo, Y. Moritomo, Y. Moritomo, Y. Tokura, Y. Tomioka, Z. Fang   +69 more
core   +1 more source

Ultrahigh‐Yield, Multifunctional, and High‐Performance Organic Memory for Seamless In‐Sensor Computing Operation

Advanced Functional Materials, EarlyView.
Molecular engineering of a nonconjugated radical polymer enables a significant enhancement of the glass transition temperature. The amorphous nature and tunability of the polymer, arising from its nonconjugated backbone, facilitates the fabrication of organic memristive devices with an exceptionally high yield (>95%), as well as substantial ...
Daeun Kim, Jaehyoung Ko, Namju Kim, Quynh H. Nguyen, Hoyeon Lee, Joohwan Eo, Seongeon Jin, Ji Eon Kwon, Seung‐Yeol Jeon, Youngdo Jeong, Dongseok Kwon, Sung Gap Im, Sanghan Lee, Byung Chul Jang, Yongho Joo   +14 more
wiley   +1 more source

Structural, Electronic, Elastic, Mechanical, Optical and Thermoelectric Properties of the Chalcogenide Double Perovskites A2GaNbS6 (A = Ca, Sr and Ba): Insights From Density Functional Theory Calculations

Annals of West University of Timisoara: Physics, 2022
Recently, the lead-free double perovskite compounds have been evinced to be promising candidate for thermoelectric and optoelectronic technologies.
Bendjilali H., Chahed A., Rozale H., Bousahla M.N., Khachai Y.A.   +4 more
doaj   +1 more source

MAGNETIC AND TRANSPORT PROPERTIES OF DOUBLE PEROVSKITES

Studia Universitatis Babes-Bolyai Chemia, 2021
The magnetic and transport properties of polycrystalline Sr2FeMoO6 perovskites are strongly dependent on their microstructure. A cluster glass type behavior was shown at the grain boundaries.
Emil BURZO
doaj   +1 more source

A radical approach to promote multiferroic coupling in double perovskites

, 2009
Double perovskites provide a unique opportunity to induce and control multiferroic behaviors in oxide systems. The appealing possibility to design materials with a strong coupling between the magnetization and the polarization fields may be achieved in ...
Azuma, Bull, Cheong, D. Ménard, Dass, Dass, E. Rauwel, Fiebig, Goodenough, Guo, Guo, Hill, Hill, Iliev, K.D. Truong, Kimura, L.P. Carignan, Lawes, M.P. Singh, Nechache, P. Fournier, P. Rauwel, Prellier, Ramesh, Rogado, Singh, Singh, Singh, Singh, Singh, Singh, Takata, Truong   +32 more
core   +1 more source

Reducing Open‐Circuit Voltage Losses in Wide‐Bandgap FAPbBr3 Perovskite Solar Cells for Continuous Unassisted Light‐Driven Water Splitting

Advanced Functional Materials, EarlyView.
The combination of formamidinium thiocyanate and 1,3‐propane diammonium iodide for bulk and top‐surface passivation, and a ternary fullerene blend to improve energy band alignment, suppresses energy losses in wide‐bandgap FAPbBr3 perovskite solar cells.
Laura Bellini, Daniël Grosfeld, Bruno Branco, Guus J. W. Aalbers, Lana M. Kessels, Willemijn H. M. Remmerswaal, Nicolas Daub, Kunal Datta, Martijn M. Wienk, René A. J. Janssen   +9 more
wiley   +1 more source

Tin‐Based Chiral Perovskites with Second‐Order Nonlinear Optical Properties

Advanced Photonics Research, 2021
Metal halide perovskites have attracted extensive attention as the most favorable candidate for nonlinear optical (NLO) effects, due to their superior infrared transparency, flexible structures, and high laser‐induced damage thresholds.
Liangliang Zhao, Xiao Han, Yongshen Zheng, Mei-Hui Yu, Jialiang Xu   +4 more
doaj   +1 more source

Phase formation, phonon behavior, and magnetic properties of novel ferromagnetic La3BAlMnO9 (B = Co or Ni) triple perovskites

, 2010
In the quest for novel magnetoelectric materials, we have grown, stabilized and explored the properties of La3BAlMnO9 (B = Co or Mn) thin films. In this paper, we report the influence of the growth parameters that promote B/Al/Mn ordering in the pseudo ...
Goodenough J. B., K. D. Truong, M. P. Singh, Mitchell R. G., P. Fournier, S. Jandl   +5 more
core   +1 more source