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19952020

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2020

Ab initio theory of the negatively charged boron vacancy qubit in hexagonal boron nitride

Ivády, V., Barcza, G., Thiering, G., Li, S., Hamdi, H., Chou, J. P., Legeza, Ö. & Gali, A., Dec 1 2020, In : npj Computational Materials. 6, 1, 41.

Research output: Contribution to journalArticle

Open Access
1 Citation (Scopus)

Immunomodulatory potential of differently-terminated ultra-small silicon carbide nanoparticles

Bĕlinová, T., Machová, I., Beke, D., Fučíková, A., Gali, A., Humlová, Z., Valenta, J. & Kalbáčová, M. H., Mar 2020, In : Nanomaterials. 10, 3, 573.

Research output: Contribution to journalArticle

Open Access

Interlayer Bonding in Two-Dimensional Materials: The Special Case of SnP3and GeP3

Slassi, A., Gali, S. M., Pershin, A., Pershin, A., Gali, A., Gali, A., Cornil, J. & Beljonne, D., Jun 4 2020, In : Journal of Physical Chemistry Letters. 11, 11, p. 4503-4510 8 p.

Research output: Contribution to journalArticle

Novel method for electroless etching of 6H–SiC

Károlyházy, G., Beke, D., Zalka, D., Lenk, S., Krafcsik, O., Kamarás, K. & Gali, Á., Mar 2020, In : Nanomaterials. 10, 3, 538.

Research output: Contribution to journalArticle

Open Access
1 Citation (Scopus)

Room-temperature coherent control of implanted defect spins in silicon carbide

Yan, F. F., Yi, A. L., Wang, J. F., Li, Q., Yu, P., Zhang, J. X., Gali, A., Wang, Y., Xu, J. S., Ou, X., Li, C. F. & Guo, G. C., Dec 1 2020, In : npj Quantum Information. 6, 1, 38.

Research output: Contribution to journalArticle

Open Access

Room-Temperature Defect Qubits in Ultrasmall Nanocrystals

Beke, D., Valenta, J., Károlyházy, G., Lenk, S., Czigány, Z., Márkus, B. G., Kamarás, K., Simon, F. & Gali, A., Mar 5 2020, In : Journal of Physical Chemistry Letters. 11, 5, p. 1675-1681 7 p.

Research output: Contribution to journalArticle

Open Access

Spin-controlled generation of indistinguishable and distinguishable photons from silicon vacancy centres in silicon carbide

Morioka, N., Babin, C., Nagy, R., Gediz, I., Hesselmeier, E., Liu, D., Joliffe, M., Niethammer, M., Dasari, D., Vorobyov, V., Kolesov, R., Stöhr, R., Ul-Hassan, J., Son, N. T., Ohshima, T., Udvarhelyi, P., Thiering, G., Gali, A., Wrachtrup, J. & Kaiser, F., Dec 1 2020, In : Nature communications. 11, 1, 2516.

Research output: Contribution to journalArticle

Open Access
3 Citations (Scopus)

Vibronic States and Their Effect on the Temperature and Strain Dependence of Silicon-Vacancy Qubits in 4H-Si C

Udvarhelyi, P., Thiering, G., Morioka, N., Babin, C., Kaiser, F., Lukin, D., Ohshima, T., Ul-Hassan, J., Son, N. T., Vučković, J., Wrachtrup, J. & Gali, A., May 2020, In : Physical Review Applied. 13, 5, 054017.

Research output: Contribution to journalArticle

1 Citation (Scopus)
2019

Electrical Charge State Manipulation of Single Silicon Vacancies in a Silicon Carbide Quantum Optoelectronic Device

Widmann, M., Niethammer, M., Fedyanin, D. Y., Khramtsov, I. A., Rendler, T., Booker, I. D., Ul Hassan, J., Morioka, N., Chen, Y. C., Ivanov, I. G., Son, N. T., Ohshima, T., Bockstedte, M., Gali, A., Bonato, C., Lee, S. Y. & Wrachtrup, J., Oct 9 2019, In : Nano letters. 19, 10, p. 7173-7180 8 p.

Research output: Contribution to journalArticle

10 Citations (Scopus)

Electrically driven optical interferometry with spins in silicon carbide

Miao, K. C., Bourassa, A., Anderson, C. P., Whiteley, S. J., Crook, A. L., Bayliss, S. L., Wolfowicz, G., Thiering, G., Udvarhelyi, P., Ivády, V., Abe, H., Ohshima, T., Gali, Á. & Awschalom, D. D., Nov 22 2019, In : Science Advances. 5, 11, eaay0527.

Research output: Contribution to journalArticle

Open Access
4 Citations (Scopus)

Evidence for Primal sp 2 Defects at the Diamond Surface: Candidates for Electron Trapping and Noise Sources

Stacey, A., Dontschuk, N., Chou, J. P., Broadway, D. A., Schenk, A. K., Sear, M. J., Tetienne, J. P., Hoffman, A., Prawer, S., Pakes, C. I., Tadich, A., de Leon, N. P., Gali, A. & Hollenberg, L. C. L., Feb 8 2019, In : Advanced Materials Interfaces. 6, 3, 1801449.

Research output: Contribution to journalArticle

17 Citations (Scopus)

High-fidelity spin and optical control of single silicon-vacancy centres in silicon carbide

Nagy, R., Niethammer, M., Widmann, M., Chen, Y. C., Udvarhelyi, P., Bonato, C., Hassan, J. U., Karhu, R., Ivanov, I. G., Son, N. T., Maze, J. R., Ohshima, T., Soykal, Ö. O., Gali, Á., Lee, S. Y., Kaiser, F. & Wrachtrup, J., Dec 1 2019, In : Nature communications. 10, 1, 1954.

Research output: Contribution to journalArticle

Open Access
28 Citations (Scopus)

Identification of divacancy and silicon vacancy qubits in 6H-SiC

Davidsson, J., Ivády, V., Armiento, R., Ohshima, T., Son, N. T., Gali, A. & Abrikosov, I. A., Mar 18 2019, In : Applied Physics Letters. 114, 11, 112107.

Research output: Contribution to journalArticle

3 Citations (Scopus)

Optically Active Defects at the Si C/Si O2 Interface

Johnson, B. C., Woerle, J., Haasmann, D., Lew, C. T. K., Parker, R. A., Knowles, H., Pingault, B., Atature, M., Gali, A., Dimitrijev, S., Camarda, M. & McCallum, J. C., Oct 11 2019, In : Physical Review Applied. 12, 4, 044024.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Optical Properties of Vanadium in 4 H Silicon Carbide for Quantum Technology

Spindlberger, L., Csóré, A., Thiering, G., Putz, S., Karhu, R., Hassan, J. U., Son, N. T., Fromherz, T., Gali, A. & Trupke, M., Jul 9 2019, In : Physical Review Applied. 12, 1, 014015.

Research output: Contribution to journalArticle

6 Citations (Scopus)

Oxygenated (113) diamond surface for nitrogen-vacancy quantum sensors with preferential alignment and long coherence time from first principles

Li, S., Chou, J. P., Wei, J., Sun, M., Hu, A. & Gali, A., Apr 2019, In : Carbon. 145, p. 273-280 8 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)

Size-dependent photocatalytic activity of cubic boron phosphide nanocrystals in the quantum confinement regime

Sugimoto, H., Somogyi, B., Nakamura, T., Zhou, H., Ichihashi, Y., Nishiyama, S., Gali, A. & Fujii, M., Sep 19 2019, In : Journal of Physical Chemistry C. 123, 37, p. 23226-23235 10 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

Spectrally Stable Defect Qubits with no Inversion Symmetry for Robust Spin-To-Photon Interface

Udvarhelyi, P., Nagy, R., Kaiser, F., Lee, S. Y., Wrachtrup, J. & Gali, A., Apr 8 2019, In : Physical Review Applied. 11, 4, 044022.

Research output: Contribution to journalArticle

11 Citations (Scopus)

Stabilization of point-defect spin qubits by quantum wells

Ivády, V., Davidsson, J., Delegan, N., Falk, A. L., Klimov, P. V., Whiteley, S. J., Hruszkewycz, S. O., Holt, M. V., Heremans, F. J., Son, N. T., Awschalom, D. D., Abrikosov, I. A. & Gali, A., Dec 1 2019, In : Nature communications. 10, 1, 5607.

Research output: Contribution to journalArticle

Open Access

The (eg ⊗ eu) ⊗ Eg product Jahn–Teller effect in the neutral group-IV vacancy quantum bits in diamond

Thiering, G. & Gali, A., Dec 1 2019, In : npj Computational Materials. 5, 1, 18.

Research output: Contribution to journalArticle

Open Access
8 Citations (Scopus)
2018

Ab initio description of highly correlated states in defects for realizing quantum bits

Bockstedte, M., Schütz, F., Garratt, T., Ivády, V. & Gali, A., Dec 1 2018, In : npj Quantum Materials. 3, 1, 31.

Research output: Contribution to journalArticle

18 Citations (Scopus)
38 Citations (Scopus)

Ab Initio Spin-Strain Coupling Parameters of Divacancy Qubits in Silicon Carbide

Udvarhelyi, P. & Gali, A., Nov 5 2018, In : Physical Review Applied. 10, 5, 054010.

Research output: Contribution to journalArticle

4 Citations (Scopus)

Direct Observation of Transition from Solid-State to Molecular-Like Optical Properties in Ultrasmall Silicon Carbide Nanoparticles

Beke, D., Fučíková, A., Jánosi, T. Z., Károlyházy, G., Somogyi, B., Lenk, S., Krafcsik, O., Czigány, Z., Erostyák, J., Kamarás, K., Valenta, J. & Gali, A., Nov 21 2018, In : Journal of Physical Chemistry C. 122, 46, p. 26713-26721 9 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

Excitation properties of the divacancy in 4H -SiC

Magnusson, B., Son, N. T., Csóré, A., Gällström, A., Ohshima, T., Gali, A. & Ivanov, I. G., Nov 5 2018, In : Physical Review B. 98, 19, 195202.

Research output: Contribution to journalArticle

16 Citations (Scopus)

First principles predictions of magneto-optical data for semiconductor point defect identification: The case of divacancy defects in 4H-SiC

Davidsson, J., Ivády, V., Armiento, R., Son, N. T., Gali, A. & Abrikosov, I. A., Feb 2018, In : New Journal of Physics. 20, 2, 023035.

Research output: Contribution to journalArticle

11 Citations (Scopus)

First-Principles Study of Charge Diffusion between Proximate Solid-State Qubits and Its Implications on Sensor Applications

Chou, J. P., Bodrog, Z. & Gali, A., Mar 27 2018, In : Physical Review Letters. 120, 13, 136401.

Research output: Contribution to journalArticle

7 Citations (Scopus)

Identification of nickel-vacancy defects by combining experimental and ab initio simulated photocurrent spectra

Londero, E., Bourgeois, E., Nesladek, M. & Gali, A., Jun 12 2018, In : Physical Review B. 97, 24, 241202.

Research output: Contribution to journalArticle

9 Citations (Scopus)

Identification of the binding site between bovine serum albumin and ultrasmall SiC fluorescent biomarkers

Dravecz, G., Jánosi, T. Z., Beke, D., Major, D., Károlyházy, G., Erostyák, J., Kamarás, K. & Gali, Á., Jan 1 2018, In : Physical Chemistry Chemical Physics. 20, 19, p. 13419-13429 11 p.

Research output: Contribution to journalArticle

5 Citations (Scopus)

Photoluminescence, infrared, and Raman spectra of co-doped Si nanoparticles from first principles

Somogyi, B., Bruyer, E. & Gali, A., Oct 21 2018, In : Journal of Chemical Physics. 149, 15, 154702.

Research output: Contribution to journalArticle

3 Citations (Scopus)

Room temperature solid-state quantum emitters in the telecom range

Zhou, Y., Wang, Z., Rasmita, A., Kim, S., Berhane, A., Bodrog, Z., Adamo, G., Gali, A., Aharonovich, I. & Gao, W. B., Mar 30 2018, In : Science Advances. 4, 3, eaar3580.

Research output: Contribution to journalArticle

30 Citations (Scopus)

Spin-strain interaction in nitrogen-vacancy centers in diamond

Udvarhelyi, P., Shkolnikov, V. O., Gali, A., Burkard, G. & Pályi, A., Aug 2 2018, In : Physical Review B. 98, 7, 075201.

Research output: Contribution to journalArticle

23 Citations (Scopus)

Strongly anisotropic spin relaxation in the neutral silicon vacancy center in diamond

Rose, B. C., Thiering, G., Tyryshkin, A. M., Edmonds, A. M., Markham, M. L., Gali, A., Lyon, S. A. & De Leon, N. P., Dec 20 2018, In : Physical Review B. 98, 23, 235140.

Research output: Contribution to journalArticle

2 Citations (Scopus)

Strongly inhomogeneous distribution of spectral properties of silicon-vacancy color centers in nanodiamonds

Lindner, S., Bommer, A., Muzha, A., Krueger, A., Gines, L., Mandal, S., Williams, O., Londero, E., Gali, A. & Becher, C., Nov 7 2018, In : New Journal of Physics. 20, 11, 115002.

Research output: Contribution to journalArticle

13 Citations (Scopus)

Theory of the optical spin-polarization loop of the nitrogen-vacancy center in diamond

Thiering, G. & Gali, A., Aug 29 2018, In : Physical Review B. 98, 8, 085207.

Research output: Contribution to journalArticle

18 Citations (Scopus)

Vibrational modes of negatively charged silicon-vacancy centers in diamond from ab initio calculations

Londero, E., Thiering, G., Razinkovas, L., Gali, A. & Alkauskas, A., Jul 27 2018, In : Physical Review B. 98, 3, 035306.

Research output: Contribution to journalArticle

10 Citations (Scopus)

Vibrational relaxation dynamics of the nitrogen-vacancy center in diamond

Ulbricht, R., Dong, S., Gali, A., Meng, S. & Loh, Z. H., Jun 8 2018, In : Physical Review B. 97, 22, 220302.

Research output: Contribution to journalArticle

6 Citations (Scopus)
2017

Ab initio calculation of spin-orbit coupling for an NV center in diamond exhibiting dynamic Jahn-Teller effect

Thiering, G. & Gali, A., Aug 24 2017, In : Physical Review B. 96, 8, 081115.

Research output: Contribution to journalArticle

24 Citations (Scopus)

Ab initio theory of the N2 v defect in diamond for quantum memory implementation

Udvarhelyi, P., Thiering, G., Londero, E. & Gali, A., Oct 30 2017, In : Physical Review B. 96, 15, 155211.

Research output: Contribution to journalArticle

3 Citations (Scopus)

All-optical hyperpolarization of electron and nuclear spins in diamond

Green, B. L., Breeze, B. G., Rees, G. J., Hanna, J. V., Chou, J. P., Ivády, V., Gali, A. & Newton, M. E., Aug 1 2017, In : Physical Review B. 96, 5, 054101.

Research output: Contribution to journalArticle

10 Citations (Scopus)

Bright Room-Temperature Single-Photon Emission from Defects in Gallium Nitride

Berhane, A. M., Jeong, K. Y., Bodrog, Z., Fiedler, S., Schröder, T., Triviño, N. V., Palacios, T., Gali, A., Toth, M., Englund, D. & Aharonovich, I., Mar 28 2017, In : Advanced Materials. 29, 12, 1605092.

Research output: Contribution to journalArticle

39 Citations (Scopus)

Characterization and formation of NV centers in 3C, 4H, and 6H SiC: An ab initio study CHARACTERIZATION and FORMATION of NV CENTERS ... CSÓRÉ, von BARDELEBEN, CANTIN, and GALI

Csóré, A., Von Bardeleben, H. J., Cantin, J. L. & Gali, A., Aug 16 2017, In : Physical Review B. 96, 8, 085204.

Research output: Contribution to journalArticle

19 Citations (Scopus)

Harnessing no-photon exciton generation chemistry to engineer semiconductor nanostructures

Beke, D., Károlyházy, G., Czigány, Z., Bortel, G., Kamarás, K. & Gali, A., Dec 1 2017, In : Scientific reports. 7, 1, 10599.

Research output: Contribution to journalArticle

6 Citations (Scopus)

High-Throughput Study of Compositions and Optical Properties in Heavily Co-Doped Silicon Nanoparticles

Somogyi, B., Derian, R., Štich, I. & Gali, A., Dec 14 2017, In : Journal of Physical Chemistry C. 121, 49, p. 27741-27750 10 p.

Research output: Contribution to journalArticle

8 Citations (Scopus)

Hybrid-DFT + Vw method for band structure calculation of semiconducting transition metal compounds: The case of cerium dioxide

Ivády, V., Gali, A. & Abrikosov, I. A., Oct 10 2017, In : Journal of Physics Condensed Matter. 29, 45, 454002.

Research output: Contribution to journalArticle

3 Citations (Scopus)

Identification of Si-vacancy related room-temperature qubits in 4H silicon carbide

Ivády, V., Davidsson, J., Son, N. T., Ohshima, T., Abrikosov, I. A. & Gali, A., Oct 27 2017, In : Physical Review B. 96, 16, 161114.

Research output: Contribution to journalArticle

25 Citations (Scopus)

Nitrogen-Terminated Diamond (111) Surface for Room-Temperature Quantum Sensing and Simulation

Chou, J. P., Retzker, A. & Gali, A., Apr 12 2017, In : Nano Letters. 17, 4, p. 2294-2298 5 p.

Research output: Contribution to journalArticle

30 Citations (Scopus)

Nitrogen-vacancy diamond sensor: Novel diamond surfaces from ab initio simulations

Chou, J. P. & Gali, A., Sep 1 2017, In : MRS Communications. 7, 3, p. 551-562 12 p.

Research output: Contribution to journalArticle

7 Citations (Scopus)

Optical Gaps in Pristine and Heavily Doped Silicon Nanocrystals: DFT versus Quantum Monte Carlo Benchmarks

Derian, R., Tokár, K., Somogyi, B., Gali, A. & Štich, I., Dec 12 2017, In : Journal of Chemical Theory and Computation. 13, 12, p. 6061-6067 7 p.

Research output: Contribution to journalArticle

5 Citations (Scopus)

Photoluminescence excitation spectroscopy of SiV- and GeV- color center in diamond

Häußler, S., Thiering, G., Dietrich, A., Waasem, N., Teraji, T., Isoya, J., Iwasaki, T., Hatano, M., Jelezko, F., Gali, A. & Kubanek, A., Jun 2017, In : New Journal of Physics. 19, 6, 063036.

Research output: Contribution to journalArticle

34 Citations (Scopus)