Zobrazeno 1 - 10
of 393
pro vyhledávání: '"Lany, Stephan"'
Autor:
Dugu, Sita, Smaha, Rebecca W, Quadir, Shaham, Treglia, Andrew, ODonnell, Shaun, Martin, Julia, Mahatara, Sharad, Teeter, Glenn, Lany, Stephan, Neilson, James R, Bauers, Sage R
Recent high-throughput computational searches have predicted many novel ternary nitride compounds providing new opportunities for materials discovery in under explored phase spaces. Nevertheless, there are hardly any predictions and/or syntheses that
Externí odkaz:
http://arxiv.org/abs/2406.14443
LK-99, with chemical formula Pb$_{10-x}$Cu$_x$(PO4)$_6$O, was recently reported to be a room-temperature superconductor. While this claim has met with little support in a flurry of ensuing work, a variety of calculations (mostly based on density-func
Externí odkaz:
http://arxiv.org/abs/2308.09900
Autor:
Kurleto, Rafal, Lany, Stephan, Pashov, Dimitar, Acharya, Swagata, van Schilfgaarde, Mark, Dessau, Daniel S.
Based on DFT calculations, we present the basic electronic structure of CuPb9(PO4)6O (Cu-doped lead apatite, LK-99), in two scenarios: (1) where the structure is constrained to the P3 symmetry and (2) where no symmetry is imposed. At the DFT level, t
Externí odkaz:
http://arxiv.org/abs/2308.00698
Publikováno v:
Journal of Applied Physics; 9/7/2024, Vol. 136 Issue 9, p1-12, 12p
Autor:
Roychoudhury, Subhayan, Shulda, Sarah, Goyal, Anuj, Bell, Robert, Sainio, Sami, Strange, Nicholas, Park, James Eujin, Coker, Eric N., Lany, Stephan, Ginley, David, Prendergast, David
BaCe$_{0.25}$Mn$_{0.75}$O$_{3-\delta}$ (BCM), a non-stoichiometric oxide closely resembling a perovskite crystal structure, has recently emerged as a prospective contender for application in renewable energy harvesting by solar thermochemical hydroge
Externí odkaz:
http://arxiv.org/abs/2209.13267
Autor:
Zhang, Dawei, De Santiago, Hector A., Xu, Boyuan, Liu, Cijie, Trindell, Jamie, Li, Wei, Park, Jiyun, Rodriguez, Mark A., Coker, Eric N., Sugar, Josh, McDaniel, Anthony, Lany, Stephan, Ma, Liang, Wang, Yi, Collins, Gregory, Tian, Hanchen, Li, Wenyuan, Qi, Yue, Liu, Xingbo, Luo, Jian
Solar thermochemical hydrogen generation (STCH) is a promising approach for eco-friendly H2 production, but conventional STCH redox compounds often suffer from thermodynamic and kinetic limitations with limited tunability. Expanding from the nascent
Externí odkaz:
http://arxiv.org/abs/2209.10704
Two-dimensional Ferrovalley materials with intrinsic valley polarization are rare but highly promising for valley-based nonvolatile random access memory and valley filter. Using Kinetically Limited Minimization (KLM), an unconstrained crystal structu
Externí odkaz:
http://arxiv.org/abs/2206.14626
Autor:
Nelson, Jocienne N., Rice, Anthony D., Brooks, Chase, Leahy, Ian A., Teeter, Glenn, Van Schilfgaarde, Mark, Lany, Stephan, Fluegel, Brian, Lee, Minhyea, Alberi, Kirstin
Publikováno v:
Phys. Rev. B 107, L220206 2023
The extent to which disorder influences the properties of topological semimetals remains an open question and is relevant to both the understanding of topological states and the use of topological materials in practical applications. Here, we achieve
Externí odkaz:
http://arxiv.org/abs/2206.10023
Autor:
Rom, Christopher L., Smaha, Rebecca W., Melamed, Celeste L., Schnepf, Rekha R., Heinselman, Karen N., Mangum, John S., Lee, Sang-Jun, Lany, Stephan, Schelhas, Laura T., Greenaway, Ann L., Neilson, James R., Bauers, Sage R., Andrew, Jennifer S., Tamboli, Adele C.
Publikováno v:
Chemistry of Materials 2023, 35, 7, 2936-2946
Magnetic semiconductors may soon improve the energy efficiency of computers, but materials exhibiting these dual properties remain underexplored. Here, we report the computational prediction and realization of a new magnetic and semiconducting materi
Externí odkaz:
http://arxiv.org/abs/2206.03594
Publikováno v:
APL Materials 10, 011112 (2022)
Cation site disorder provides a degree of freedom in the growth of ternary nitrides for tuning the technologically relevant properties of a material system. For example, the band gap of ZnGeN$_2$ changes when the ordering of the structure deviates fr
Externí odkaz:
http://arxiv.org/abs/2109.05062