CW
Chris Van de Walle
cond-mat.mtrl-scicond-mat.str-elquant-phcond-mat.mes-hallphysics.app-phphysics.comp-phphysics.opticscond-mat.otherdensity functional theoryLight
On Valency
published · living versionsW_6hs6zc7g·v1 · currentpublished
A direct view at excess electrons in TiO rutile and anatase
with Martin Setvin, Cesare Franchini, Xianfeng Hao, Michael Schmid +4
1 version
Preprints & journals
158 papers in the corpus · 1986–2026Charge State Equilibration of Nitrogen-Vacancy Center Ensembles in Diamond: The Role of Electron Tunneling.42854135 · Alkauskas, Audrius, Van de Walle, Chris G, Razinkovas, Lukas et al.2026 · 1 citationPhysical review letters. 2026;137(13):136401
Polaron Self-Trapping Rates from First Principles2609.03336v1 · Mark E. Turiansky, Joel B. Varley, Audrius Alkauskas et al.2026 · 0 citationsarXiv
Halide donors in monoclinic- and corundum-phase GaO and AlO2608.30680v1 · Sai Mu, Haochen Wang, Yongjoong Shin et al.2026 · 0 citationsarXiv
2D Small Hole Polarons in Ga2O3.42456007 · Peelaers, Hartwin, Varley, Joel B, Van de Walle, Chris G2026 · 0 citationsNano letters. 2026;26(29):9546-9552
High-Performance Near-Infrared Quantum Emission from Color Centers in hBN.42389838 · Doan, Sean, Patel, Sahil D, Chen, Yilin et al.2026 · 1 citationACS nano. 2026;20(27):19209-19224
Native defects and erbium impurities in CaWO42605.24809v1 · Minseok Choi, Mark E. Turiansky, BaiQing Zhao et al.2026 · 0 citationsarXiv
Charge dynamics at nitrogen impurities and nitrogen-vacancy centers in diamond2605.24768v2 · Chandan Kumar Vishwakarma, J. K. Nangoi, Mark E. Turiansky et al.2026 · 0 citationsPhys. Rev. B 114, 194104 (2026)
A defect in diamond with millisecond-scale spin relaxation time at room temperature2603.07265v1 · Sounak Mukherjee, Anran Li, Johannes Eberle et al.2026 · 0 citationsarXiv
Identification of the I Donor in ZnO as a Sn--Li Complex with Large Hyperfine Interaction2603.05615v1 · Xingyi Wang, Sai Mu, Jeong Rae Kim et al.2026 · 0 citationsarXiv
Strain effects on -type doping in AlN2603.03528v1 · Haochen Wang, Chris G. Van de Walle2026 · 0 citationsarXiv
Resonant states and nuclear dynamics in solid-state systems: the case of silicon-hydrogen bond dissociation2512.00634v1 · Woncheol Lee, Mark E. Turiansky, Dominic Waldhor et al.2025 · 2 citationsarXiv
Cr2O3/\b{eta}-Ga2O3 Heterojunction Diodes with Orientation-Dependent Breakdown Electric Field up to 12.9 MV/cm2511.20885v1 · Yizheng Liu, Haochen Wang, Carl Peterson et al.2025 · 1 citationarXiv
A CN complex as an alternative to the T center in Si2511.00754v1 · J. K. Nangoi, M. E. Turiansky, C. G. Van de Walle2025 · 5 citationsarXiv
Design of high-mobility p-type GaN via the piezomobility tensor2508.06723v1 · Jie-Cheng Chen, Joshua Leveillee, Chris G. Van de Walle et al.2025 · 1 citationarXiv
Distinguishing Thermal Fluctuations from Polaron Formation in Halide Perovskites.40548798 · Zhao, Bai-Qing, Qi, Jue-Yi, Xu, Xun et al.2025 · 5 citationsPhysical review letters. 2025;134(22):226402
Heterostructure engineering for wurtzite LaN.40392547 · Rowberg, A J E, Mu, S, Van de Walle, C G2025 · 3 citationsThe Journal of chemical physics. 2025;162(19)
Clarification of the Spontaneous Polarization Direction in Crystals with Wurtzite Structure2505.03515v1 · Simon Fichtner, Mohamed Yassine, Chris van de Walle et al.2025 · 25 citationsAppl. Phys. Lett. 125, 040501 (2024)
Impact of Absorption due to Zero-Field Splitting on Loss in Dielectrics: A Case Study in Sapphire2504.04610v2 · Mark E. Turiansky, Chris G. Van de Walle2025 · 0 citationsarXiv
Trade-Off Between Toxicity and Efficiency in Tin- versus Lead-Based Halide Perovskites.39967324 · Zhang, Xie, Shen, Jimmy-Xuan, Turiansky, Mark E et al.2025 · 17 citationsAngewandte Chemie (International ed. in English). 2025;64(18):e202500557
Carbon in GaN as a nonradiative recombination center2502.13350v1 · Fangzhou Zhao, Hongyi Guan, Mark E. Turiansky et al.2025 · 8 citationsarXiv
Characterization of Chromium Impurities in -GaO2501.00561v1 · Mark E. Turiansky, Sai Mu, Lukas Razinkovas et al.2024 · 9 citationsarXiv
First-principles theory of direct-gap optical emission in hexagonal Ge and its enhancement via strain engineering2412.08865v2 · Christopher A. Broderick, Xie Zhang, Mark E. Turiansky et al.2024 · 2 citationsarXiv
Unveiling the Pockels coefficient of ferroelectric nitride ScAlN.39496634 · Yang, Guangcanlan, Wang, Haochen, Mu, Sai et al.2026 · 42 citationsNature communications. 2024;15(1):9538
Transition-Metal-Related Quantum Emitters in Wurtzite AlN and GaN.39395009 · Czelej, Kamil, Lambert, M Rey, Turiansky, Mark E et al.2024 · 15 citationsACS nano. 2024;18(42):28724-28734
Towards higher electro-optic response in AlScN2410.07444v2 · Haochen Wang, Sai Mu, Chris G. Van de Walle2024 · 18 citationsarXiv
Optical lineshapes for orbital singlet to doublet transitions in a dynamical Jahn-Teller system: the NiV center in diamond2406.10647v2 · Rokas Silkinis, Vytautas Zalandauskas, Gergo Thiering et al.2024 · 8 citationsPhys.Rev.B 110 (2024) 075303
First-principles studies of Schottky barriers and tunneling properties at Al(111)/Si(111) and CoSi(111)/Si(111) interfaces2403.13986v1 · J. K. Nangoi, C. J. Palmstr\om, C. G. Van de Walle2024 · 10 citationsPhys. Rev. B 110, 035302 (2024)
Carrier confinement and alloy disorder exacerbate Auger-Meitner recombination in AlGaN ultraviolet light-emitting diodes2403.11019v1 · Nick Pant, Kyle Bushick, Andrew McAllister et al.2024 · 11 citationsAppl. Phys. Lett. 125, 021109 (2024)
Dielectric Loss due to Charged-Defect Acoustic Phonon Emission2402.17291v1 · Mark E. Turiansky, Chris G. Van de Walle2024 · 5 citationsarXiv
Dimensionality effects on trap-assisted recombination: the Sommerfeld parameter.38306700 · Turiansky, Mark E, Alkauskas, Audrius, Van de Walle, Chris G2025 · 10 citationsJournal of physics. Condensed matter : an Institute of Physics journal. 2024;36(19)
Rational Design of Efficient Defect-Based Quantum Emitters2402.08257v1 · Mark E. Turiansky, Kamyar Parto, Galan Moody et al.2024 · 24 citationsarXiv
A first-principles approach to closing the "10-100 eV gap" for charge-carrier thermalization in semiconductors2308.03893v1 · Dallin O. Nielsen, Chris G. Van de Walle, Sokrates T. Pantelides et al.2023 · 0 citationsarXiv
Trap-Assisted Auger-Meitner Recombination from First Principles.37595230 · Zhao, Fangzhou, Turiansky, Mark E, Alkauskas, Audrius et al.2023 · 28 citationsPhysical review letters. 2023;131(5):056402
Coherent control of a nuclear spin via interactions with a rare-earth ion in the solid-state2209.05631v1 · Mehmet T. Uysal, Mouktik Raha, Songtao Chen et al.2022 · 33 citationsPRX Quantum 4, 010323 (2023)
Anisotropic-strain-enhanced hole mobility in GaN by lattice matching to ZnGeN and MgSiN2205.06193v1 · Joshua Leveillee, Samuel Ponce, Nicholas L. Adamski et al.2022 · 7 citationsarXiv
Probing the Optical Dynamics of Quantum Emitters in Hexagonal Boron Nitride2201.08881v1 · Raj N. Patel, David A. Hopper, Jordan A. Gusdorff et al.2022 · 40 citationsPRX Quantum 3, 030331 (2022)
Role of carbon and hydrogen in limiting -type doping of monoclinic (AlGa)O2111.07194v2 · Sai Mu, Mengen Wang, Joel B. Varley et al.2021 · 56 citationsPhysical Review B 105, 155201(2022)
First-principles study of electron transport in ScN2105.07323v1 · Sai Mu, Andrew J. E. Rowberg, Joshua Leveillee et al.2021 · 36 citationsPhys. Rev. B 104, 075118 (2021)
Understanding Carbon Contamination in Proton Conducting Oxides2105.04640v1 · Andrew J. E. Rowberg, Michael W. Swift, Chris G. Van de Walle2021 · 5 citationsarXiv
Hydride Conductivity in Nitride Hydrides2105.04657v1 · Andrew J. E. Rowberg, Chris G. Van de Walle2021 · 14 citationsarXiv
Minimizing hydrogen vacancies to enable highly efficient hybrid perovskites.33927392 · Zhang, Xie, Shen, Jimmy-Xuan, Turiansky, Mark E et al.2026 · 185 citationsNature materials. 2021;20(7):971-976
Adsorption and Diffusion of Aluminum on β-Ga2O3(010) Surfaces.33615786 · Wang, Mengen, Mu, Sai, Van de Walle, Chris G2021 · 18 citationsACS applied materials & interfaces. 2021;13(8):10650-10655
Vibrational and vibronic structure of isolated point defects: the nitrogen-vacancy center in diamond2012.04320v4 · Lukas Razinkovas, Marcus W. Doherty, Neil B. Manson et al.2020 · 72 citationsPhys. Rev. B 104, 045303 (2021)
Nonrad: Computing Nonradiative Capture Coefficients from First Principles2011.07433v2 · Mark E. Turiansky, Audrius Alkauskas, Manuel Engel et al.2020 · 138 citationsarXiv
Radiative capture rates at deep defects from electronic structure calculations2008.02732v1 · Cyrus E. Dreyer, Audrius Alkauskas, John L. Lyons et al.2020 · 34 citationsarXiv
Anomalous Auger Recombination in PbSe.32745394 · Zhang, Xie, Shen, Jimmy-Xuan, Van de Walle, Chris G2020 · 34 citationsPhysical review letters. 2020;125(3):037401
Electronic structure and magneto-optical properties of silicon-nitrogen-vacancy complexes in diamond2006.11878v1 · Marcin Roland Zem\la, Kamil Czelej, Paulina Kami'nska et al.2020 · 26 citationsPhys. Rev. B 102, 115102 (2020)
Spinning up quantum defects in 2D materials.32332987 · Turiansky, M E, Alkauskas, A, Van de Walle, C G2020 · 22 citationsNature materials. 2020;19(5):487-489
Dangling Bonds in Hexagonal Boron Nitride as Single-Photon Emitters.31633955 · Turiansky, Mark E, Alkauskas, Audrius, Bassett, Lee C et al.2019 · 101 citationsPhysical review letters. 2019;123(12):127401
Carbon dimer defect as a source of the 4.1 eV luminescence in hexagonal boron nitride1907.02303v2 · Mazena Mackoit-Sinkeviciene, Marek Maciaszek, Chris G. Van de Walle et al.2019 · 168 citationsAppl. Phys. Lett. 115, 212101 (2019)
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