TY - JOUR AU - Zhang, X. AU - Turiansky, M.E. AU - Razinkovas, L. AU - Maciaszek, M. AU - Broqvist, P. AU - Yan, Q. AU - Lyons, J.L. AU - Dreyer, C.E. AU - Wickramaratne, D. AU - Gali, Ádám AU - Pasquarello, A. AU - Van de Walle, C.G. TI - First-principles calculations of defects and electron-phonon interactions: Seminal contributions of Audrius Alkauskas to the understanding of recombination processes JF - JOURNAL OF APPLIED PHYSICS J2 - J APPL PHYS VL - 135 PY - 2024 IS - 15 PG - 9 SN - 0021-8979 DO - 10.1063/5.0205525 UR - https://m2.mtmt.hu/api/publication/34832941 ID - 34832941 N1 - Export Date: 6 May 2024 CODEN: JAPIA AB - First-principles calculations of defects and electron-phonon interactions play a critical role in the design and optimization of materials for electronic and optoelectronic devices. The late Audrius Alkauskas made seminal contributions to developing rigorous first-principles methodologies for the computation of defects and electron-phonon interactions, especially in the context of understanding the fundamental mechanisms of carrier recombination in semiconductors. Alkauskas was also a pioneer in the field of quantum defects, helping to build a first-principles understanding of the prototype nitrogen-vacancy center in diamond, as well as identifying novel defects. Here, we describe the important contributions made by Alkauskas and his collaborators and outline fruitful research directions that Alkauskas would have been keen to pursue. Audrius Alkauskas’ scientific achievements and insights highlighted in this article will inspire and guide future developments and advances in the field. © 2024 Author(s). LA - English DB - MTMT ER - TY - JOUR AU - Rodgers, L.V.H. AU - Nguyen, S.T. AU - Cox, J.H. AU - Zervas, K. AU - Yuan, Z. AU - Sangtawesin, S. AU - Stacey, A. AU - Jaye, C. AU - Weiland, C. AU - Pershin, Anton AU - Gali, Ádám AU - Thomsen, L. AU - Meynell, S.A. AU - Hughes, L.B. AU - Jayich, A.C.B. AU - Gui, X. AU - Cava, R.J. AU - Knowles, R.R. AU - de, Leon N.P. TI - Diamond surface functionalization via visible light-driven C-H activation for nanoscale quantum sensing JF - PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA J2 - P NATL ACAD SCI USA VL - 121 PY - 2024 IS - 11 PG - 62 SN - 0027-8424 DO - 10.1073/pnas.2316032121 UR - https://m2.mtmt.hu/api/publication/34749980 ID - 34749980 LA - English DB - MTMT ER - TY - JOUR AU - Li, Song AU - Pershin, Anton AU - Li, Pei AU - Gali, Ádám TI - Exceptionally strong coupling of defect emission in hexagonal boron nitride to stacking sequences JF - NPJ 2D MATERIALS AND APPLICATIONS J2 - NPJ 2D MATER APPL VL - 8 PY - 2024 IS - 1 PG - 8 SN - 2397-7132 DO - 10.1038/s41699-024-00455-y UR - https://m2.mtmt.hu/api/publication/34726459 ID - 34726459 LA - English DB - MTMT ER - TY - JOUR AU - Tissot, B. AU - Udvarhelyi, Péter AU - Gali, Ádám AU - Burkard, G. TI - Strain engineering for transition-metal defects in SiC JF - PHYSICAL REVIEW B J2 - PHYS REV B VL - 109 PY - 2024 IS - 5 PG - 13 SN - 2469-9950 DO - 10.1103/PhysRevB.109.054111 UR - https://m2.mtmt.hu/api/publication/34692609 ID - 34692609 N1 - Export Date: 6 May 2024 LA - English DB - MTMT ER - TY - JOUR AU - Gali, Ádám AU - Schleife, A. AU - Heinrich, A.J. AU - Laucht, A. AU - Schuler, B. AU - Chakraborty, C. AU - Anderson, C.P. AU - Déprez, C. AU - McCallum, J. AU - Bassett, L.C. AU - Friesen, M. AU - Flatté, M.E. AU - Maurer, P. AU - Coppersmith, S.N. AU - Zhong, T. AU - Begum-Hudde, V. AU - Ping, Y. TI - Challenges in advancing our understanding of atomic-like quantum systems: Theory and experiment JF - MRS BULLETIN J2 - MRS BULL VL - 49 PY - 2024 IS - 3 SP - 256 EP - 276 PG - 21 SN - 0883-7694 DO - 10.1557/s43577-023-00659-5 UR - https://m2.mtmt.hu/api/publication/34689746 ID - 34689746 N1 - Export Date: 6 May 2024 CODEN: MRSBE LA - English DB - MTMT ER - TY - JOUR AU - Thiering, Gergő AU - Gali, Ádám TI - Spin-orbit coupling and Jahn-Teller effect in Td symmetry: an ab initio study on the substitutional nickel defect in diamond JF - PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A - MATHEMATICAL PHYSICAL & ENGINEERING SCIENCES J2 - PHILOS TRANS - R SOC A VL - 382 PY - 2024 IS - 2265 PG - 21 SN - 1364-503X DO - 10.1098/rsta.2022.0310 UR - https://m2.mtmt.hu/api/publication/34434582 ID - 34434582 N1 - Export Date: 6 May 2024 LA - English DB - MTMT ER - TY - JOUR AU - Monge, R. AU - Delord, T. AU - Thiering, Gergő AU - Gali, Ádám AU - Meriles, C.A. TI - Resonant Versus Nonresonant Spin Readout of a Nitrogen-Vacancy Center in Diamond under Cryogenic Conditions JF - PHYSICAL REVIEW LETTERS J2 - PHYS REV LETT VL - 131 PY - 2023 IS - 23 PG - 6 SN - 0031-9007 DO - 10.1103/PhysRevLett.131.236901 UR - https://m2.mtmt.hu/api/publication/34433825 ID - 34433825 N1 - Funding Agency and Grant Number: National Science Foundation [NSF-2216838, NSF-2203904, NSF-1914945, NSF-2316693]; National Research, Development and Innovation Office of Hungary (NKFIH) in Hungary for the National Excellence Program [KKP129866]; Quantum Information National Laboratory [2022-2.1.1-NL-2022-0000]; EU QuantERA II MAESTRO project; European Commission [101046911]; Governmental Agency for IT Development Institute of Hungary (KIFU); NSF CREST IDEALS [NSF-2112550] Funding text: All authors acknowledge support from the National Science Foundation through Grants No. NSF-2216838, No. NSF-2203904, and No. NSF-1914945; R. M. acknowledges support from NSF-2316693. A. G. acknowledges the support from the National Research, Development and Innovation Office of Hungary (NKFIH) in Hungary for the National Excellence Program (Grant No. KKP129866), the Quantum Information National Laboratory (Grant No. 2022-2.1.1-NL-2022-0000), and the EU QuantERA II MAESTRO project; he also acknowledges support from the European Commission through the QuMicro project (Grant No. 101046911). A. G. and G. T. acknowledge the high-performance computational resources provided by the Governmental Agency for IT Development Institute of Hungary (KIFU). All authors also acknowledge access to the facilities and research infrastructure of the NSF CREST IDEALS, Grant No. NSF-2112550. LA - English DB - MTMT ER - TY - JOUR AU - Cambria, M.C. AU - Thiering, Gergő AU - Norambuena, A. AU - Dinani, H.T. AU - Gardill, A. AU - Kemeny, I. AU - Lordi, V. AU - Gali, Ádám AU - Maze, J.R. AU - Kolkowitz, S. TI - Physically motivated analytical expression for the temperature dependence of the zero-field splitting of the nitrogen-vacancy center in diamond JF - PHYSICAL REVIEW B J2 - PHYS REV B VL - 108 PY - 2023 IS - 18 PG - 7 SN - 2469-9950 DO - 10.1103/PhysRevB.108.L180102 UR - https://m2.mtmt.hu/api/publication/34406975 ID - 34406975 N1 - Funding Agency and Grant Number: U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-SC0020313]; U.S. Department of Energy at Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Fondecyt Iniciacion [11220266]; Department of Defense through the National Defense Science and Engineering Graduate Fellowship (NDSEG) program; NKFIH in Hungary for the National Excellence Program [KKP129866]; Quantum Information National Laboratory [2022-2.1.1-NL-2022-00004]; EU QuantERA II MAESTRO project; European Commission [101046911]; Janos Bolyai Research Scholarship of the Hungarian Academy of Sciences; KIFU (Governmental Agency for IT Development) Institute of Hungary [1221512, ACT192023] Funding text: We gratefully acknowledge Hao Tang, Ariel Rebekah Barr, and Guoqing Wang for enlightening conversations, and Peter Maurer for helpful feedback on our manuscript. Experimental work, data analysis, and theoretical efforts conducted at UW-Madison were supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, under Award No. DE-SC0020313. Part of this work by V.L. was performed under the auspices of the U.S. Department of Energy at Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. A.N. acknowledges financial support from Fondecyt Iniciacion No. 11220266. A.G. acknowledges support from the Department of Defense through the National Defense Science and Engineering Graduate Fellowship (NDSEG) program. A.G. acknowledges support from the NKFIH in Hungary for the National Excellence Program (Grant No. KKP129866), the Quantum Information National Laboratory (Grant No. 2022-2.1.1-NL-2022-00004), and the EU QuantERA II MAESTRO project, and from the European Commission for the QuMicro project (Grant No. 101046911). G.T. was supported by the Janos Bolyai Research Scholarship of the Hungarian Academy of Sciences. A.G. and G.T. acknowledge the high-performance computational resources provided by KIFU (Governmental Agency for IT Development) Institute of Hungary. J.R.M. acknowledges support from ANID-Fondecyt Grant No. 1221512 and ANID-Anillo Grant No. ACT192023. LA - English DB - MTMT ER - TY - JOUR AU - Dontschuk, N. AU - Rodgers, L.V.H. AU - Chou, J.P. AU - Evans, D.A. AU - O’Donnell, K.M. AU - Johnson, H.J. AU - Tadich, A. AU - Schenk, A.K. AU - Gali, Ádám AU - de, Leon N.P. AU - Stacey, A. TI - X-ray quantification of oxygen groups on diamond surfaces for quantum applications JF - MATERIALS FOR QUANTUM TECHNOLOGY J2 - MAT QUANTUM TECHN VL - 3 PY - 2023 IS - 4 PG - 12 SN - 2633-4356 DO - 10.1088/2633-4356/ad001b UR - https://m2.mtmt.hu/api/publication/34400148 ID - 34400148 N1 - Export Date: 08 March 2024 LA - English DB - MTMT ER - TY - JOUR AU - Mohseni, Meysam AU - Udvarhelyi, Péter AU - Thiering, Gergő AU - Gali, Ádám TI - Positively charged carbon vacancy defect as a near-infrared emitter in 4H-SiC JF - PHYSICAL REVIEW MATERIALS J2 - PHYS REV MAT VL - 7 PY - 2023 IS - 9 PG - 7 SN - 2475-9953 DO - 10.1103/PhysRevMaterials.7.096202 UR - https://m2.mtmt.hu/api/publication/34188158 ID - 34188158 LA - English DB - MTMT ER -