Zobrazeno 1 - 10
of 135
pro vyhledávání: '"Vorwerk, Christian"'
Autor:
Meng, Fanchen, Maurer, Benedikt, Peschel, Fabian, Selcuk, Sencer, Hybertsen, Mark, Qu, Xiaohui, Vorwerk, Christian, Draxl, Claudia, Vinson, John, Lu, Deyu
Publikováno v:
Phys. Rev. Materials 8, 013801 (2024)
X-ray absorption spectroscopy (XAS) is an element-specific materials characterization technique that is sensitive to structural and electronic properties. First-principles simulated XAS has been widely used as a powerful tool to interpret experimenta
Externí odkaz:
http://arxiv.org/abs/2303.17089
Publikováno v:
Nat Commun 15, 4812 (2024)
Virtually noiseless due to the scarcity of spinful nuclei in the lattice, simple oxides hold promise as hosts of solid-state spin qubits. However, no suitable spin defect has yet been found in these systems. Using high-throughput first-principles cal
Externí odkaz:
http://arxiv.org/abs/2302.07523
Autor:
Carbone, Matthew R., Meng, Fanchen, Vorwerk, Christian, Maurer, Benedikt, Peschel, Fabian, Qu, Xiaohui, Stavitski, Eli, Draxl, Claudia, Vinson, John, Lu, Deyu
First-principles computational spectroscopy is a critical tool for interpreting experiment, performing structure refinement, and developing new physical understanding. Systematically setting up input files for different simulation codes and a diverse
Externí odkaz:
http://arxiv.org/abs/2211.04452
We present a formalism for the resonant inelastic x-ray scattering (RIXS) cross section. The resulting compact expression in terms of polarizability matrix elements, particularly lends itself to the implementation in an all-electron many-body perturb
Externí odkaz:
http://arxiv.org/abs/2205.05201
Publikováno v:
Journal of Chemical Theory and Computation 2022
We present a Green's function formulation of the quantum defect embedding theory (QDET) where a double counting scheme is rigorously derived within the $G_0 W_0$ approximation. We then show the robustness of our methodology by applying the theory wit
Externí odkaz:
http://arxiv.org/abs/2203.05493
Autor:
Vorwerk, Christian Wolfgang
Um neue Halbleiter-Bauelemente zu entwickeln und die Effizienz bereits existierender zu verbessern, müssen neue Materialien erkundet und untersucht werden. Für Anwendungen in Hochleistungselektronik und UV-Optoelektronik ist Ga2O3 mit seiner ultra-
Externí odkaz:
http://edoc.hu-berlin.de/18452/22938
Bulk hybride halide perovskites are governed by significant Rashba and Dresselhaus splitting. This indicates that such effects will not only affect their optoelectronic properties but also those of their two dimensional layered relatives. This work a
Externí odkaz:
http://arxiv.org/abs/2111.04590
Autor:
Anderson, Christopher P., Glen, Elena O., Zeledon, Cyrus, Bourassa, Alexandre, Jin, Yu, Zhu, Yizhi, Vorwerk, Christian, Crook, Alexander L., Abe, Hiroshi, Ul-Hassan, Jawad, Ohshima, Takeshi, Son, Nguyen T., Galli, Giulia, Awschalom, David D.
An outstanding hurdle for defect spin qubits in silicon carbide (SiC) is single-shot readout - a deterministic measurement of the quantum state. Here, we demonstrate single-shot readout of single defects in SiC via spin-to-charge conversion, whereby
Externí odkaz:
http://arxiv.org/abs/2110.01590
Quantum computers hold promise to improve the efficiency of quantum simulations of materials and to enable the investigation of systems and properties more complex than tractable at present on classical architectures. Here, we discuss computational f
Externí odkaz:
http://arxiv.org/abs/2105.04736
Publikováno v:
Phys. Rev. B 103, 195128 (2021)
Here we report the optical and x-ray absorption (XAS) spectra of the wide-band-gap oxide MgO using density functional theory (DFT) and many-body perturbation theory (MBPT). Our comprehensive study of the electronic structure shows that while the band
Externí odkaz:
http://arxiv.org/abs/2012.08960