Zobrazeno 1 - 10
of 376
pro vyhledávání: '"Peter Blaha"'
Autor:
Matthäus Siebenhofer, Andreas Nenning, Christoph Rameshan, Peter Blaha, Jürgen Fleig, Markus Kubicek
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-10 (2024)
Abstract Improving materials for energy conversion and storage devices is deeply connected with an optimization of their surfaces and surface modification is a promising strategy on the way to enhance modern energy technologies. This study shows that
Externí odkaz:
https://doaj.org/article/35142eb092814efd815c38615093a96c
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-29 (2024)
Abstract Ferroelectricity in metals has advanced since the initial discovery of nonmagnetic ferroelectric-like metal LiOsO $$_3$$ 3 , anchored in the Anderson and Blount prediction. However, evaluating the spontaneous electric polarization (SEP) of t
Externí odkaz:
https://doaj.org/article/abd90d5baf3940baa4daed3833cc01da
Autor:
Xiaohan Yao, Jonathan Gaudet, Rahul Verma, David E. Graf, Hung-Yu Yang, Faranak Bahrami, Ruiqi Zhang, Adam A. Aczel, Sujan Subedi, Darius H. Torchinsky, Jianwei Sun, Arun Bansil, Shin-Ming Huang, Bahadur Singh, Peter Blaha, Predrag Nikolić, Fazel Tafti
Publikováno v:
Physical Review X, Vol 13, Iss 1, p 011035 (2023)
Weyl electrons are intensely studied due to novel charge transport phenomena such as chiral anomaly, Fermi arcs, and photogalvanic effect. Recent theoretical works suggest that Weyl electrons can also participate in magnetic interactions, and the Wey
Externí odkaz:
https://doaj.org/article/30b5aa1788494b649c277623a2ee22bd
Autor:
Peter Blaha, Henry Chermette
Publikováno v:
Computation, Vol 10, Iss 5, p 78 (2022)
Karlheinz Schwarz was born in January 1941 in Vienna (Austria), and he married Christine Schwarz in 1969 [...]
Externí odkaz:
https://doaj.org/article/f6873b4433ed4a57ab5222e5c909cf27
Autor:
Oleg Rubel, Peter Blaha
Publikováno v:
Computation, Vol 10, Iss 2, p 22 (2022)
Hybrid exchange-correlation functionals provide superior electronic structure and optical properties of semiconductors or insulators as compared to semilocal exchange-correlation potentials due to admixing a portion of the non-local exact exchange po
Externí odkaz:
https://doaj.org/article/732d4851cc79432eb87bbdd1e9187319
Publikováno v:
Computation, Vol 9, Iss 11, p 125 (2021)
Experimental studies have shown the possible production of hydrogen through photocatalytic water splitting using metal oxide (MOy) nanoparticles attached to an anatase TiO2 surface. In this work, we performed density functional theory (DFT) calculati
Externí odkaz:
https://doaj.org/article/7f2eac5a04a34fc49d5f9c65fdd9ecd9
Autor:
Lorenz Lindenthal, Raffael Rameshan, Harald Summerer, Thomas Ruh, Janko Popovic, Andreas Nenning, Stefan Löffler, Alexander Karl Opitz, Peter Blaha, Christoph Rameshan
Publikováno v:
Catalysts, Vol 10, Iss 3, p 268 (2020)
In heterogeneous catalysis, surfaces decorated with uniformly dispersed, catalytically-active (nano)particles are a key requirement for excellent performance. Beside standard catalyst preparation routines—with limitations in controlling catalyst su
Externí odkaz:
https://doaj.org/article/6e36bbb8db19470fb8c8e956ba828378
Publikováno v:
Crystals, Vol 10, Iss 2, p 124 (2020)
In recent years, finite strain Landau theory has been gradually developed as both a conceptual as well as a quantitative framework to study high pressure phase transitions of the group-subgroup type. In the current paper, we introduce a new version o
Externí odkaz:
https://doaj.org/article/f28801cbec4e420e86226154c59c96df
Publikováno v:
Applied Sciences, Vol 2, Iss 3, Pp 654-668 (2012)
The site occupation of binary Fe-Cr, Co-Cr, Re-W and Fe-V sigma phases is studied in the present work with a first-principles-based single-site mean field theory. We show that the alloy components in these systems exhibit similar site preferences exc
Externí odkaz:
https://doaj.org/article/2a2bdb8937de4b49a87a634c877deabc
Autor:
Michael Gnant, Peter Blaha, Peter Dubsky, Ruth Exner, Florian Fitzal, Emanuel Sporn, Peter Panhofer, Andrea Dal Borgo, Sinda Bigenzahn, Guenther Steger, Raimund Jakesz
Publikováno v:
Therapeutic Advances in Medical Oncology, Vol 1 (2009)
Recent advances in the treatment of early breast cancer have improved clinical outcomes and prolonged survival, especially in women with endocrine-responsive disease. However, cancer therapies including cytotoxic chemotherapy, ovarian suppression, an
Externí odkaz:
https://doaj.org/article/b7180a7594b9467988b6dab4282d8b84