Two-dimensional electron gas at LaInO$_3$/BaSnO$_3$ interfaces controlled by a ferroelectric layer

Autor: Fang, Le, Aggoune, Wahib, Ren, Wei, Draxl, Claudia

With the example of LaInO$_{3}$/BaSnO$_3$, we demonstrate how both density and distribution of a two-dimensional electron gas (2DEG) formed at the interface between these perovskite oxides, can be efficiently controlled by a ferroelectric functional

Externí odkaz: http://arxiv.org/abs/2201.05449

Fingerprints of optical absorption in the perovskite LaInO$_{3}$: Insight from many-body theory and experiment

Autor: Aggoune, Wahib, Irmscher, Klaus, Nabok, Dmitrii, Vona, Cecilia, Anooz, Saud Bin, Galazka, Zbigniew, Albrecht, Martin, Draxl, Claudia

Publikováno v: Phys. Rev. B 103, 115105 (2021)

We provide a combined theoretical and experimental study of the electronic structure and the optical absorption edge of the orthorhombic perovskite LaInO$_{3}$. Employing density-functional theory and many-body perturbation theory, we predict a direc

Externí odkaz: http://arxiv.org/abs/2101.04376

Unraveling Molecular Structure: A Multimodal Spectroscopic Dataset for Chemistry

Autor: Alberts, Marvin, Schilter, Oliver, Zipoli, Federico, Hartrampf, Nina, Laino, Teodoro

Spectroscopic techniques are essential tools for determining the structure of molecules. Different spectroscopic techniques, such as Nuclear magnetic resonance (NMR), Infrared spectroscopy, and Mass Spectrometry, provide insight into the molecular st

Externí odkaz: http://arxiv.org/abs/2407.17492

Quantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions

Autor: Alexeev, Yuri, Amsler, Maximilian, Baity, Paul, Barroca, Marco Antonio, Bassini, Sanzio, Battelle, Torey, Camps, Daan, Casanova, David, Choi, Young Jai, Chong, Frederic T., Chung, Charles, Codella, Chris, Corcoles, Antonio D., Cruise, James, Di Meglio, Alberto, Dubois, Jonathan, Duran, Ivan, Eckl, Thomas, Economou, Sophia, Eidenbenz, Stephan, Elmegreen, Bruce, Fare, Clyde, Faro, Ismael, Fernández, Cristina Sanz, Ferreira, Rodrigo Neumann Barros, Fuji, Keisuke, Fuller, Bryce, Gagliardi, Laura, Galli, Giulia, Glick, Jennifer R., Gobbi, Isacco, Gokhale, Pranav, Gonzalez, Salvador de la Puente, Greiner, Johannes, Gropp, Bill, Grossi, Michele, Gull, Emanuel, Healy, Burns, Huang, Benchen, Humble, Travis S., Ito, Nobuyasu, Izmaylov, Artur F., Javadi-Abhari, Ali, Jennewein, Douglas, Jha, Shantenu, Jiang, Liang, Jones, Barbara, de Jong, Wibe Albert, Jurcevic, Petar, Kirby, William, Kister, Stefan, Kitagawa, Masahiro, Klassen, Joel, Klymko, Katherine, Koh, Kwangwon, Kondo, Masaaki, Kurkcuoglu, Doga Murat, Kurowski, Krzysztof, Laino, Teodoro, Landfield, Ryan, Leininger, Matt, Leyton-Ortega, Vicente, Li, Ang, Lin, Meifeng, Liu, Junyu, Lorente, Nicolas, Luckow, Andre, Martiel, Simon, Martin-Fernandez, Francisco, Martonosi, Margaret, Marvinney, Claire, Medina, Arcesio Castaneda, Merten, Dirk, Mezzacapo, Antonio, Michielsen, Kristel, Mitra, Abhishek, Mittal, Tushar, Moon, Kyungsun, Moore, Joel, Motta, Mario, Na, Young-Hye, Nam, Yunseong, Narang, Prineha, Ohnishi, Yu-ya, Ottaviani, Daniele, Otten, Matthew, Pakin, Scott, Pascuzzi, Vincent R., Penault, Ed, Piontek, Tomasz, Pitera, Jed, Rall, Patrick, Ravi, Gokul Subramanian, Robertson, Niall, Rossi, Matteo, Rydlichowski, Piotr, Ryu, Hoon, Samsonidze, Georgy, Sato, Mitsuhisa, Saurabh, Nishant, Sharma, Vidushi, Sharma, Kunal, Shin, Soyoung, Slessman, George, Steiner, Mathias, Sitdikov, Iskandar, Suh, In-Saeng, Switzer, Eric, Tang, Wei, Thompson, Joel, Todo, Synge, Tran, Minh, Trenev, Dimitar, Trott, Christian, Tseng, Huan-Hsin, Tureci, Esin, Valinas, David García, Vallecorsa, Sofia, Wever, Christopher, Wojciechowski, Konrad, Wu, Xiaodi, Yoo, Shinjae, Yoshioka, Nobuyuki, Yu, Victor Wen-zhe, Yunoki, Seiji, Zhuk, Sergiy, Zubarev, Dmitry

Publikováno v: Future Generation Computer Systems, Volume 160, November 2024, Pages 666-710

Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of existing high-performance supercomputing centers, consuming much of the

Externí odkaz: http://arxiv.org/abs/2312.09733

Магнитные свойства фотолюминофоров на основе LaInO[3], легированного ионами Dy{3+}, Ho{3+}, Sb{3+}

Autor: Юхно Е. К., Башкиров Л. А., Кандидатова И. Н., Бушинский М. В.

Publikováno v: Труды БГТУ: Серия 2. Химические технологии, биотехнологии, геоэкология, Iss 2, Pp 49-54 (2017)

Твердофазным методом проведен синтез керамических образцов фотолюминофоров La0,95Ho0,05InO3, La0,90Dy0,05Ho0,05InO3, La0,95Ho0,05In0,98Sb0,02O3, La0,90Dy0,05Ho0,05In0,98Sb0,02O3, и�

Externí odkaz: https://doaj.org/article/dff7efe372b245cc9b74ce385a82b0d1