Research output per year
Research output per year
Research output
- 35 Article
- 35 results
Search results
-
2024
One-Particle and Excitonic Band Structure in Cubic Boron Arsenide
Acharya, S., Pashov, D., Katsnelson, M. I. & van Schilfgaarde, M., Jan 2024, In: Physica Status Solidi - Rapid Research Letters. 18, 1, 2300156.Research output: Contribution to journal › Article › peer-review
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2023
A theory for colors of strongly correlated electronic systems
Acharya, S., Pashov, D., Weber, C., van Schilfgaarde, M., Lichtenstein, A. I. & Katsnelson, M. I., Dec 2023, In: Nature Communications. 14, 1, 5565.Research output: Contribution to journal › Article › peer-review
Open Access5 Citations (Scopus) -
Band energy dependence of defect formation in the topological semimetal Cd3As2
Brooks, C., Van Schilfgaarde, M., Pashov, D., Nelson, J. N., Alberi, K., Dessau, D. S. & Lany, S., 1 Jun 2023, In: Physical Review B. 107, 22, 224110.Research output: Contribution to journal › Article › peer-review
3 Citations (Scopus) -
Improved quasiparticle self-consistent electronic band structure and excitons in β-LiGaO2
Dadkhah, N., Lambrecht, W. R. L., Pashov, D. & Van Schilfgaarde, M., 15 Apr 2023, In: Physical Review B. 107, 16, 165201.Research output: Contribution to journal › Article › peer-review
5 Citations (Scopus) -
Paramagnetic electronic structure of CrSBr: Comparison between ab initio GW theory and angle-resolved photoemission spectroscopy
Bianchi, M., Acharya, S., Dirnberger, F., Klein, J., Pashov, D., Mosina, K., Sofer, Z., Rudenko, A. N., Katsnelson, M. I., Van Schilfgaarde, M., Rösner, M. & Hofmann, P., 15 Jun 2023, In: Physical Review B. 107, 23, 235107.Research output: Contribution to journal › Article › peer-review
8 Citations (Scopus) -
QSGŴ: Quasiparticle self-consistent GW with ladder diagrams in W
Cunningham, B., Grüning, M., Pashov, D. & Van Schilfgaarde, M., 15 Oct 2023, In: Physical Review B. 108, 16, 165104.Research output: Contribution to journal › Article › peer-review
Open Access13 Citations (Scopus) -
Strongly Correlated Exciton-Magnetization System for Optical Spin Pumping in CrBr3 and CrI3.
Grzeszczyk, M., Acharya, S., Pashov, D., Chen, Z., Vaklinova, K., van Schilfgaarde, M., Watanabe, K., Taniguchi, T., Novoselov, K. S., Katsnelson, M. I. & Koperski, M., 26 Apr 2023, In: Advanced Materials. 35, 17, 2209513.Research output: Contribution to journal › Article › peer-review
Open Access16 Citations (Scopus) -
2022
Disentangling the role of bond lengths and orbital symmetries in controlling Tc of optimally doped YBa2Cu3 O7
Jamet, F., Weber, C., Acharya, S., Pashov, D. & Van Schilfgaarde, M., Jul 2022, In: Physical Review Research. 4, 3, 033189.Research output: Contribution to journal › Article › peer-review
Open Access1 Citation (Scopus) -
Dynamic strain aging and the role of the Cottrell atmosphere
Katzarov, I. H., Drenchev, L. B., Pashov, D. L., Zarrouk, T. N. A. T., Al-Lahham, O. & Paxton, A. T., Jun 2022, In: Physical Review Materials. 6, 6, 063603.Research output: Contribution to journal › Article › peer-review
2 Citations (Scopus) -
Electron-Beam Induced Emergence of Mesoscopic Ordering in Layered MnPS<sub>3</sub>
Roccapriore, K. M., Huang, N., Oxley, M. P., Sharma, V., Taylor, T., Acharya, S., Pashov, D., Katsnelson, M. I., Mandrus, D., Musfeldt, J. L. & Kalinin, S. V., 29 Sept 2022, (E-pub ahead of print) In: ACS Nano.Research output: Contribution to journal › Article › peer-review
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Electron-Beam Induced Emergence of Mesoscopic Ordering in Layered MnPS3
Roccapriore, K. M., Huang, N., Oxley, M. P., Sharma, V., Taylor, T., Acharya, S., Pashov, D., Katsnelson, M. I., Mandrus, D., Musfeldt, J. L. & Kalinin, S. V., 25 Oct 2022, In: ACS Nano. 16, 10, p. 16713-16723 11 p.Research output: Contribution to journal › Article › peer-review
3 Citations (Scopus) -
Electronic and optical properties of crystalline nitrogen versus black phosphorus: A comparative first-principles study
Rudenko, A. N., Acharya, S., Tasnádi, F., Pashov, D., Ponomareva, A. V., Van Schilfgaarde, M., Abrikosov, I. A. & Katsnelson, M. I., 15 May 2022, In: Physical Review B. 105, 20, 205135.Research output: Contribution to journal › Article › peer-review
4 Citations (Scopus) -
Real- and momentum-space description of the excitons in bulk and monolayer chromium tri-halides
Acharya, S., Pashov, D., Rudenko, A. N., Rösner, M., Schilfgaarde, M. V. & Katsnelson, M. I., Dec 2022, In: npj 2D Materials and Applications. 6, 1, 33.Research output: Contribution to journal › Article › peer-review
Open Access20 Citations (Scopus) -
Role of nematicity in controlling spin fluctuations and superconducting Tc in bulk FeSe
Acharya, S., Pashov, D. & Van Schilfgaarde, M., 1 Apr 2022, In: Physical Review B. 105, 14, 144507.Research output: Contribution to journal › Article › peer-review
5 Citations (Scopus) -
2021
Electronic origin of Tc in bulk and monolayer fese
Acharya, S., Pashov, D., Jamet, F. & van Schilfgaarde, M., Feb 2021, In: Symmetry. 13, 2, p. 1-16 16 p., 169.Research output: Contribution to journal › Article › peer-review
Open Access10 Citations (Scopus) -
Electronic structure correspondence of singlet-triplet scale separation in strained sr2ruo4
Acharya, S., Pashov, D., Chachkarova, E., van Schilfgaarde, M. & Weber, C., 2 Jan 2021, In: Applied Sciences (Switzerland). 11, 2, p. 1-14 14 p., 508.Research output: Contribution to journal › Article › peer-review
Open Access6 Citations (Scopus) -
Electronic structure of chromium trihalides beyond density functional theory
Acharya, S., Pashov, D., Cunningham, B., Rudenko, A. N., Rösner, M., Grüning, M., van Schilfgaarde, M. & Katsnelson, M. I., 15 Oct 2021, In: Physical Review B. 104, 15, 155109.Research output: Contribution to journal › Article › peer-review
22 Citations (Scopus) -
Importance of charge self-consistency in first-principles description of strongly correlated systems
Acharya, S., Pashov, D., Rudenko, A. N., Rösner, M., van Schilfgaarde, M. & Katsnelson, M. I., Dec 2021, In: npj Computational Materials. 7, 1, 208.Research output: Contribution to journal › Article › peer-review
Open Access12 Citations (Scopus) -
Optical response and band structure of LiCoO2 including electron-hole interaction effects
Radha, S. K., Lambrecht, W. R. L., Cunningham, B., Grüning, M., Pashov, D. & Van Schilfgaarde, M., 15 Sept 2021, In: Physical Review B. 104, 11, 115120.Research output: Contribution to journal › Article › peer-review
22 Citations (Scopus) -
Theoretical evidence for the Peierls transition in
Kulmus, K., Gemming, S., Schreiber, M., Pashov, D. & Acharya, S., 15 Jul 2021, In: Physical Review B. 104, 3, 035128.Research output: Contribution to journal › Article › peer-review
7 Citations (Scopus) -
2020
Controlling T c through Band Structure and Correlation Engineering in Collapsed and Uncollapsed Phases of Iron Arsenides
Acharya, S., Pashov, D., Jamet, F. & Van Schilfgaarde, M., 12 Jun 2020, In: Physical Review Letters. 124, 23, p. 237001-1-237001-5 237001.Research output: Contribution to journal › Article › peer-review
Open AccessFile12 Citations (Scopus)196 Downloads (Pure) -
Electronic structure and finite temperature magnetism of yttrium iron garnet
Barker, J., Pashov, D. & Jackson, J., 17 Dec 2020, In: Electronic Structure. 2, 4, p. 044002Research output: Contribution to journal › Article › peer-review
Open Access11 Citations (Scopus) -
Questaal: A package of electronic structure methods based on the linear muffin-tin orbital technique
Pashov, D., Acharya, S., Lambrecht, W. R. L., Jackson, J., Belashchenko, K. D., Chantis, A. N., Jamet, F. & van Schilfgaarde, M., Apr 2020, In: COMPUTER PHYSICS COMMUNICATIONS. 249, 107065.Research output: Contribution to journal › Article › peer-review
Open AccessFile87 Citations (Scopus)225 Downloads (Pure) -
2019
Evening out the spin and charge parity to increase T c in Sr 2RuO 4
Acharya, S., Pashov, D. L., Weber, C. R., Park, H., Sponza, L. & Van Schilfgaarde, M., 17 Dec 2019, In: Communications Physics. 2, 1, 163.Research output: Contribution to journal › Article › peer-review
Open AccessFile31 Citations (Scopus)137 Downloads (Pure) -
2018
Dynamic symmetry breaking and spin splitting in metal halide perovskites
McKechnie, S., Frost, J. M., Pashov, D., Azarhoosh, P., Walsh, A. & Van Schilfgaarde, M., 6 Aug 2018, In: Physical Review B. 98, 8, 085108.Research output: Contribution to journal › Article › peer-review
55 Citations (Scopus) -
Effect of ladder diagrams on optical absorption spectra in a quasiparticle self-consistent GW framework
Cunningham, B., Grüning, M., Azarhoosh, P., Pashov, D. & Van Schilfgaarde, M., 16 Mar 2018, In: Physical Review Materials. 2, 3, 034603.Research output: Contribution to journal › Article › peer-review
51 Citations (Scopus) -
Metal-Insulator Transition in Copper Oxides Induced by Apex Displacements
Acharya, S., Weber, C., Plekhanov, E., Pashov, D., Taraphder, A. & Van Schilfgaarde, M., Jun 2018, In: Physical Review X. 8, 2, p. 1-6 021038.Research output: Contribution to journal › Article › peer-review
Open AccessFile19 Citations (Scopus)177 Downloads (Pure) -
Origin of Pronounced Nonlinear Band Gap Behavior in Lead-Tin Hybrid Perovskite Alloys
Goyal, A., McKechnie, S., Pashov, D., Tumas, W., Schilfgaarde, M. V. & Stevanović, V., 12 Jun 2018, In: CHEMISTRY OF MATERIALS. 30, 11, p. 3920-3928 9 p.Research output: Contribution to journal › Article › peer-review
179 Citations (Scopus) -
2017
Hydrogen embrittlement I. Analysis of hydrogen-enhanced localized plasticity: Effect of hydrogen on the velocity of screw dislocations in α-Fe
Katsarov, I. H., Pashov, D. L. & Paxton, A. T., Aug 2017, In: Physical Review Materials. 1, 3, p. 1-11 033602.Research output: Contribution to journal › Article › peer-review
Open AccessFile67 Citations (Scopus)434 Downloads (Pure) -
Self-energies in itinerant magnets: A focus on Fe and Ni
Sponza, L., Pisanti, P., Vishina, A., Pashov, D., Weber, C., Van Schilfgaarde, M., Acharya, S., Vidal, J. & Kotliar, G., 26 Jan 2017, In: Physical Review B (Condensed Matter and Materials Physics). 95, 4, 041112.Research output: Contribution to journal › Article › peer-review
Open AccessFile35 Citations (Scopus)191 Downloads (Pure) -
Theoretical evaluation of the role of crystal defects on local equilibrium and effective diffusivity of hydrogen in iron
Bombac, D., Katsarov, I. H., Pashov, D. L. & Paxton, A. T., 31 Jul 2017, In: MATERIALS SCIENCE AND TECHNOLOGY. 33, 13, p. 1505-1514Research output: Contribution to journal › Article › peer-review
Open AccessFile22 Citations (Scopus)174 Downloads (Pure) -
2014
Universal tight binding model for chemical reactions in solution and at surfaces. I. Organic molecules
Sheppard, T., Lozovoi, A. Y., Pashov, D., Kohanoff, J. J. & Paxton, A., 28 Jul 2014, In: Journal of Chemical Physics. 141, 4, 044503.Research output: Contribution to journal › Article › peer-review
Open AccessFile9 Citations (Scopus)277 Downloads (Pure) -
Universal tight binding model for chemical reactions in solution and at surfaces. II. Water
Lozovoi, A. Y., Sheppard, T., Pashov, D., Kohanoff, J. J. & Paxton, A., 2014, In: Journal of Chemical Physics. 141, 4, 044504.Research output: Contribution to journal › Article › peer-review
Open AccessFile5 Citations (Scopus)132 Downloads (Pure) -
Universal tight binding model for chemical reactions in solution and at surfaces. III. Stoichiometric and reduced surfaces of titania and the adsorption of water
Lozovoi, A. Y., Pashov, D. L., Sheppard, T. J., Kohanoff, J. J. & Paxton, A. T., 28 Jul 2014, In: Journal of Chemical Physics. 141, 4, 044505.Research output: Contribution to journal › Article › peer-review
Open AccessFile4 Citations (Scopus)188 Downloads (Pure) -
2013
Fully quantum mechanical calculation of the diffusivity of hydrogen in iron using the tight-binding approximation and path integral theory
Katsarov, I. H., Pashov, D. L. & Paxton, A. T., 16 Aug 2013, In: Physical Review B (Condensed Matter and Materials Physics). 88, 5, 10 p., 054107.Research output: Contribution to journal › Article › peer-review
20 Citations (Scopus)