Other Work#

This page highlights scientific publications that have used PAOFLOW in their work. The list is maintained from available citation metadata and community contributions. If your publication used PAOFLOW and is missing from this page, please notify the PAOFLOW developers through the project GitHub repository so that it can be added.

2026#

  1. Defect complexes and charge compensation in Ta-doped anatase TiO2 transparent conductor. Luca Bursi, Alessandra Catellani, Piero Mazzolini, Cristina Mancarella, Andrea Li Bassi et al. Acta Materialia (2026). 10.1016/j.actamat.2026.122293

  2. First-principles evidences of optical damage resistance enhancement in Bi-doped lithium niobate via Mg/Zn co-doping. Sepide Hoseinifar, S. Javad Hashemifar, S. Davatolhagh. SSRN Electronic Journal (2026). 10.2139/ssrn.6277661

  3. First-principles evidences of optical damage resistance enhancement in Bi-doped lithium niobate via Mg/Zn co-doping. S. B. Hosseini, S. Javad Hashemifar, S. Davatolhagh. Research Square (2026). 10.21203/rs.3.rs-9761189/v1

  4. High-throughput discovery of two-dimensional materials exhibiting strong Rashba-Edelstein effect. Binchang Zhou, Baoru Pan, Pan Zhou, Yuzhong Hu, Songmin Liu, L. Sun. Physical Review Materials (2026). 10.1103/xly2-mhk9

  5. Multipole analysis of spin currents in altermagnetic MnTe. Ryosuke Hirakida, Karma Tenzin, Chao Chen Ye, Berkay Kilic, Carmine Autieri, Jagoda Sławińska. Physical Review B (2026). 10.1103/ssr6-5w3v

  6. Persistent spin texture protected by the approximate symmetry in a weakly interacting graphene/WTe2 heterostructure. Przemysław Przybysz, Karma Tenzin, Berkay Kilic, Witold Kozłowski, Paweł J. Kowalczyk et al. Applied Physics Letters (2026). 10.1063/5.0301803

  7. Polar nano-regions enable large spin Hall conductivity in metallic PtCoO2. Guiping Ji, Yi Zheng, Yuejie Zhang, Yuhan Liang, Renhuai Wei et al. Nature Materials (2026). 10.1038/s41563-026-02640-4

  8. Spin-filter tunneling and spin hall conductivity in the ferrimagnetic NiFe2O4. Quan Cheng, L I Tao, Bo Song, Xianjie Wang. Journal of Magnetism and Magnetic Materials (2026). 10.1016/j.jmmm.2026.174274

2025#

  1. A new quaternary sphalerite-derivative compound for thermoelectric applications: Cu7VSnS8. Shuya Kozai, Koichiro Suekuni, Seiya Takahashi, Eiji Nishibori, Hidetaka Kasai et al. Journal of Materials Chemistry A (2025). 10.1039/d4ta08137d

  2. Composition dependence of the anomalous Nernst effect in Fe4-Mn N and Fe4-Co N films. Weida Yin, Keita Ito, Yusuke Tsubowa, Masahito Tsujikawa, Masafumi Shirai et al. Journal of Magnetism and Magnetic Materials (2025). 10.1016/j.jmmm.2025.173157

  3. Dominant orbital magnetization in the prototypical altermagnet MnTe. Chao Chen Ye, Karma Tenzin, Jagoda Sławińska, Carmine Autieri. Physical Review B (2025). 10.1103/g32j-hnvz

  4. Efficient spin accumulation carried by slow relaxons in chiral tellurium. Evgenii Barts, Karma Tenzin, Jagoda Sławińska. Nature Communications (2025). 10.1038/s41467-025-59143-0

  5. Electrode-Assisted Switching in Memristors Based on Single-Crystal Transition Metal Dichalcogenides. Dakotah M. Kirk, Lu Wang, Marcelo A. Kuroda. ACS Applied Materials & Interfaces (2025). 10.1021/acsami.5c03361

  6. First-principles studies of fermiology in topological phases of bulk ZrTe5. Chao Chen Ye, Yuliia Kreminska, Jianting Ye, Jagoda Sławińska. Physical Review Materials (2025). 10.1103/physrevmaterials.9.054204

  7. Influence of Bi doping on electronic structure and optical behavior of congruent LiNbO3: Insights from density functional theory. Seyed Hosseini, S. Javad Hashemifar, S. Davatolhagh. Computational Materials Science (2025). 10.1016/j.commatsci.2025.114224

  8. Large spin Hall angle in MnPt-based antiferromagnetic alloys. Nabil Menai, Martin Gradhand, Derek A. Stewart. Physical Review Materials (2025). 10.1103/txxc-nstt

  9. Magnetic transparent conductors for spintronic applications. Pino D’Amico, Alessandra Catellani, Alice Ruini, Stefano Curtarolo, Marco Fornari et al. Acta Materialia (2025). 10.1016/j.actamat.2025.120850

  10. Magnetization switching and detection by PtxSn1-x alloys. Mahendra DC, Keita Sakuma, Santosh KC, Punyashloka Debashis, C. Gay et al. Applied Physics Reviews (2025). 10.1063/5.0251598

  11. Mechanically and electrically tunable Rashba-Edelstein effect in ferroelectric semiconductors, CsGeX3 (X=I, Br, Cl). AbdulJelili Popoola, Ravi Kashikar, Ali Azmy, Ioannis Spanopoulos, Homayoun Jafari et al. Physical Review Materials (2025). 10.1103/gkt2-x7mm

  12. Noncollinear Edge Magnetism in Nanoribbons of Fe3GeTe2 and Fe3GaTe2. Ramon Cardias, Anders Bergman, Hugo U. R. Strand, R. B. Muniz, Marcio Costa. Nano Letters (2025). 10.1021/acs.nanolett.5c01890

  13. Observation of Magnetic Structure-Dependent Spin Hall Effect. Yuxiang Zhu, Yingying Zhang, Lei Han, Xiaoyu Feng, Hua Bai et al. Advanced Functional Materials (2025). 10.1002/adfm.202505406

  14. Persistent spin textures, altermagnetism and charge-to-spin conversion in metallic chiral crystals TM3X6. Karma Tenzin, Berkay Kilic, Raghottam M. Sattigeri, Zhiren He, Chao Chen Ye et al. npj Spintronics (2025). 10.1038/s44306-025-00109-9

  15. Spin-orbit torque emerging from orbital textures in centrosymmetric materials. Luis M. Canonico, José H. García, Stephan Roche. 2D Materials (2025). 10.1088/2053-1583/adf976

  16. TBHubbard: tight-binding and extended Hubbard model dataset for metal-organic frameworks. Pamela Costa Carvalho, Federico Zipoli, Alan C. Duriez, Marco Antonio Barroca, Rodrigo Neumann Barros Ferreira et al. Scientific Data (2025). 10.1038/s41597-025-06054-w

  17. The coexistence of Dirac cones and Fermi arcs in a graphene/WTe2 heterostructure. Wojciech Ryś, Iaroslav Lutsyk, Maxime Le Ster, Przemysław Przybysz, Jagoda Sławińska et al. Nanoscale (2025). 10.1039/d5nr03824c

  18. Tunable unconventional spin orbit torque magnetization dynamics in van der Waals heterostructures. Lalit Pandey, Bing Zhao, Karma Tenzin, Roselle Ngaloy, Veronika Lamparska et al. Nature Communications (2025). 10.1038/s41467-025-64109-3

  19. Tunneling valley Hall effect in 8-Pmmn borophene: Gate and strain control. Y. Q. Zhang, Feng Zhai. Physica B Condensed Matter (2025). 10.1016/j.physb.2025.417720

  20. Tunneling Valley Hall Effect in Strained 8-Pmmn Borophene. Yuhua Zhang, Feng Zhai. SSRN Electronic Journal (2025). 10.2139/ssrn.5343093

  21. Universal symmetry-protected persistent spin textures in noncentrosymmetric crystals. Berkay Kilic, Sergio Alvarruiz, Evgenii Barts, Bertjan van Dijk, Paolo Barone et al. Nature Communications (2025). 10.1038/s41467-025-63136-4

2024#

  1. Ab initio transport theory for the intrinsic spin Hall effect applied to 5d metals. Akash Bajaj, R. Gupta, I. V. Tokatly, Stefano Sanvito, Andrea Droghetti. Physical Review B (2024). 10.1103/physrevb.109.195132

  2. DFT2kp: Effective kp models from ab-initio data. João Victor V. Cassiano, A. L. Araújo, Paulo E. Faria, Gerson J. Ferreira. SciPost Physics Codebases (2024). 10.21468/scipostphyscodeb.25

  3. Large spontaneous Hall effect with flexible domain control in the antiferromagnetic material TaMnP. Hisashi Kotegawa, Akira Nakamura, H. Vu, Yuki Arai, Hideki Tou et al. Physical Review B (2024). 10.1103/physrevb.110.214417

  4. Layer Hall Detection of the Néel Vector in Centrosymmetric Magnetoelectric Antiferromagnets. Lingling Tao, Qin Zhang, Huinan Li, Hong Jian Zhao, Xianjie Wang et al. Physical Review Letters (2024). 10.1103/physrevlett.133.096803

  5. Nano-ARPES investigation of structural relaxation in small angle twisted bilayer tungsten disulfide. Giovanna Feraco, Oreste De Luca, Przemysław Przybysz, Homayoun Jafari, Oleksandr Zheliuk et al. Physical Review Materials (2024). 10.1103/physrevmaterials.8.124004

  6. Nonlinear magnetotransport in MoTe2. A. C. Marx, Homayoun Jafari, Eelco K. Tekelenburg, Maria Antonietta Loi, Jagoda Sławińska, Marcos H. D. Guimarães. Physical Review B (2024). 10.1103/physrevb.109.125408

  7. Robust Zeeman-type band splitting in sliding ferroelectrics. Homayoun Jafari, Evgenii Barts, Przemysław Przybysz, Karma Tenzin, Paweł J. Kowalczyk et al. Physical Review Materials (2024). 10.1103/physrevmaterials.8.024005

  8. Spin accumulation tuned by vertical strain in ferroelectric type-II Weyl semimetals. Huijiadai Luo, Lu Cao, Yixin Wang, Guangtong Liu, Hua Ke et al. Materials Today Communications (2024). 10.1016/j.mtcomm.2024.111050

  9. Theoretical advances in predicting the thermoelectric performance of materials. Mukesh Jakhar, Poonam Chauhan, Ashok Kumar, Ravindra Pandey. 2D Materials (2024). 10.1088/2053-1583/ad8011

  10. Wannier-function software ecosystem for materials simulations. Antimo Marrazzo, Sophie Beck, Elena R. Margine, Nicola Marzari, Arash A. Mostofi et al. Reviews of Modern Physics (2024). 10.1103/revmodphys.96.045008

2023#

  1. Advances in data-assisted high-throughput computations for material design. Dingguo Xu, Qiao Zhang, Xiangyu Huo, Yitong Wang, Mingli Yang. Materials Genome Engineering Advances (2023). 10.1002/mgea.11

  2. Analogs of Rashba-Edelstein effect from density functional theory. Karma Tenzin, Arunesh Roy, Homayoun Jafari, Bruno Banas, Frank Cerasoli et al. Physical Review B (2023). 10.1103/physrevb.107.165140

  3. Collinear Rashba-Edelstein effect in non-magnetic chiral materials. Karma Tenzin, Arunesh Roy, Frank Cerasoli, Anooja Jayaraj, Marco Buongiorno Nardelli, Jagoda Sławińska. arXiv (2023). 10.48550/arxiv.2304.05287

  4. Collinear Rashba-Edelstein effect in nonmagnetic chiral materials. Karma Tenzin, Arunesh Roy, Frank Cerasoli, Anooja Jayaraj, Marco Buongiorno Nardelli, Jagoda Sławińska. Physical Review B (2023). 10.1103/physrevb.108.245203

  5. Connecting Higher-Order Topology with the Orbital Hall Effect in Monolayers of Transition Metal Dichalcogenides. Marcio Costa, Bruno Focassio, Luis M. Canonico, Tarik P. Cysne, Gabriel R. Schleder et al. Physical Review Letters (2023). 10.1103/physrevlett.130.116204

  6. Crystallographically dependent bilinear magnetoelectric resistance in a thin WTe2 layer. Tian Liu, Arunesh Roy, Jan Hidding, Homayoun Jafari, Dennis K. de Wal et al. Physical Review B (2023). 10.1103/physrevb.108.165407

  7. Dataset of ‘Nonlinear magnetotransport in MoTe2’. A. C. Marx, Homayoun Jafari, Eelco K. Tekelenburg, Maria Antonietta Loi, Jagoda Sławińska, Marcos H. D. Guimarães. arXiv (2023). 10.48550/arxiv.2312.03405

  8. DFT2kp: effective kp models from ab-initio data. João Victor V. Cassiano, A. L. Araújo, Paulo E. Faria, Gerson J. Ferreira. arXiv (2023). 10.48550/arxiv.2306.08554

  9. Large anomalous Hall effect and unusual domain switching in an orthorhombic antiferromagnetic material NbMnP. Hisashi Kotegawa, Yoshiki Kuwata, H. Vu, Yuki Arai, Hideki Tou et al. npj Quantum Materials (2023). 10.1038/s41535-023-00587-2

  10. Modeling Luminescence in Cultural Heritage: Theoretical Insight into the Luminescence of Dyes and Pigments. Simona Fantacci, A. Satta. Springer series on fluorescence (2023). 10.1007/4243_2023_47

  11. Orbital magnetoelectric effect in nanoribbons of transition metal dichalcogenides. Tarik P. Cysne, Filipe S. M. Guimarães, Luis M. Canonico, Marcio Costa, Tatiana G. Rappoport, R. B. Muniz. Physical Review B (2023). 10.1103/physrevb.107.115402

  12. Pseudobinary Approach to the Discovery and Design of Copper-Based Sulfides. Takashi Hagiwara, Koichiro Suekuni, Pierric Lemoine, Carmelo Prestipino, Erik Elkaïm et al. Chemistry of Materials (2023). 10.1021/acs.chemmater.3c01135

  13. Report on 2306.08554v1. João Victor V. Cassiano, A. L. Araújo, Paulo E. Faria, Gerson J. Ferreira. (2023). 10.21468/scipost.report.7549

  14. Report on 2306.08554v1. João Victor V. Cassiano, A. L. Araújo, Paulo E. Faria, Gerson J. Ferreira. (2023). 10.21468/scipost.report.7564

  15. Spontaneous spin momentum locking and anomalous Hall effect in BiFeO3. M. Umar Farooq, Zhigang Gui, Li Huang. Physical Review B (2023). 10.1103/physrevb.107.075202

  16. Topological insulating phase arising in transition metal dichalcogenide alloy. F. Crasto de Lima, Bruno Focassio, R. H. Miwa, A. Fazzio. 2D Materials (2023). 10.1088/2053-1583/acc670

  17. Ultrathin films of black phosphorus as suitable platforms for unambiguous observation of the orbital Hall effect. Tarik P. Cysne, Marcio Costa, Marco Buongiorno Nardelli, R. B. Muniz, Tatiana G. Rappoport. Physical Review B (2023). 10.1103/physrevb.108.165415

2022#

  1. Ab-initio calculations of transport, optical and dielectric properties of substituted Lizardite. Henrique Pecinatto, Angsula Ghosh, Marta Silva dos Santos Gusmão, H.O. Frota. Applied Clay Science (2022). 10.1016/j.clay.2022.106578

  2. aflow++: A C++ framework for autonomous materials design. Corey Oses, Marco Esters, David Hicks, Simon Divilov, Hagen Eckert et al. Computational Materials Science (2022). 10.1016/j.commatsci.2022.111889

  3. aflow++: a C++ framework for autonomous materials design. Corey Oses, Marco Esters, David Hicks, Simon Divilov, Hagen Eckert et al. arXiv (2022). 10.48550/arxiv.2208.03052

  4. A Tunable Structural Family with Ultralow Thermal Conductivity: Copper-Deficient Cu1-xPb1-xBi1+xS3. Krishnendu Maji, Pierric Lemoine, Adèle Renaud, Bin Zhang, Virginia Carnevali et al. Journal of the American Chemical Society (2022). 10.1021/jacs.1c11998

  5. Band Theory and Beyond: Applications of Quantum Algorithms for Quantum Chemistry. Kyle Sherbert. (2022). 10.12794/metadc1944298

  6. Ferroelectric control of charge-to-spin conversion in WTe2. Homayoun Jafari, Arunesh Roy, Jagoda Sławińska. Physical Review Materials (2022). 10.1103/physrevmaterials.6.l091404

  7. High-Spin (S = 1) Blatter-Based Diradical with Robust Stability and Electrical Conductivity. Shuyang Zhang, Maren Pink, Tobias Junghoefer, Wenchao Zhao, Sheng-Ning Hsu et al. Journal of the American Chemical Society (2022). 10.1021/jacs.2c01141

  8. Ising and XY paramagnons in two-dimensional 2H-NbSe2. A. T. Costa, Marcio Costa, J. Fernández-Rossier. Physical Review B (2022). 10.1103/physrevb.105.224412

  9. Long-range current-induced spin accumulation in chiral crystals. Arunesh Roy, Frank Cerasoli, Anooja Jayaraj, Karma Tenzin, Marco Buongiorno Nardelli, Jagoda Sławińska. npj Computational Materials (2022). 10.1038/s41524-022-00931-3

  10. Machine learning sparse tight-binding parameters for defects. Christoph Schattauer, Milica Todorović, Kunal Ghosh, Patrick Rinke, Florian Libisch. npj Computational Materials (2022). 10.1038/s41524-022-00791-x

  11. Quasi-two-dimensional Fermi surface of superconducting line-nodal metal CaSb2. Atsutoshi Ikeda, Shanta Saha, David Graf, Prathum Saraf, Danila Sergeevich Sokratov et al. Physical Review B (2022). 10.1103/physrevb.106.075151

  12. Relaxation time approximations in PAOFLOW 2.0. Anooja Jayaraj, Ilaria Siloi, Marco Fornari, Marco Buongiorno Nardelli. Scientific Reports (2022). 10.1038/s41598-022-08931-5

  13. Relaxation Time Approximations in PAOFLOW 2.0. Anooja Jayaraj. (2022). 10.12794/metadc1944209

  14. Topological bands in the PdSe2 pentagonal monolayer. Sergio Bravo, M. Pacheco, J.D. Correa, Leonor Chico. Physical Chemistry Chemical Physics (2022). 10.1039/d2cp01822e

  15. Tuning the electronic and magnetic properties of lizardite clay by chemical substitution. Marta Silva dos Santos Gusmão, Angsula Ghosh, Ilaria Siloi, Marco Fornari, Marco Buongiorno Nardelli. Molecular Systems Design & Engineering (2022). 10.1039/d2me00081d

  16. Two-Layer High-Throughput: Effective Mass Calculations Including Warping. Andrew Supka, Nicholas A. Mecholsky, Marco Buongiorno Nardelli, Stefano Curtarolo, Marco Fornari. Engineering (2022). 10.1016/j.eng.2021.03.031

  17. Unconventional spin Hall effects in nonmagnetic solids. Arunesh Roy, Marcos H. D. Guimarães, Jagoda Sławińska. Physical Review Materials (2022). 10.1103/physrevmaterials.6.045004

2021#

  1. Advanced modeling of materials with PAOFLOW 2.0: New features and software design. Frank Cerasoli, Andrew Supka, Anooja Jayaraj, Marcio Costa, Ilaria Siloi et al. Computational Materials Science (2021). 10.1016/j.commatsci.2021.110828

  2. Amorphous Bi2Se3 structural, electronic, and topological nature from first principles. Bruno Focassio, Gabriel R. Schleder, F. Crasto de Lima, Caio Lewenkopf, A. Fazzio. Physical Review B (2021). 10.1103/physrevb.104.214206

  3. A systematic variational approach to band theory in a quantum computer. Kyle Sherbert, Frank Cerasoli, Marco Buongiorno Nardelli. RSC Advances (2021). 10.1039/d1ra07451b

  4. Comparative Analysis of DFT+U, ACBN0, and Hybrid Functionals on the Spin Density of YTiO3 and SrRuO3. Francesca Menescardi, Davide Ceresoli. Applied Sciences (2021). 10.3390/app11020616

  5. Discovery of higher-order topological insulators using the spin Hall conductivity as a topology signature. Marcio Costa, Gabriel R. Schleder, Carlos Mera Acosta, Antonio C. M. Padilha, Frank Cerasoli et al. npj Computational Materials (2021). 10.1038/s41524-021-00518-4

  6. Disentangling Orbital and Valley Hall Effects in Bilayers of Transition Metal Dichalcogenides. Tarik P. Cysne, Marcio Costa, Luis M. Canonico, Marco Buongiorno Nardelli, R. B. Muniz, Tatiana G. Rappoport. Physical Review Letters (2021). 10.1103/physrevlett.126.056601

  7. Emergence of Nontrivial Spin Textures in Frustrated Van Der Waals Ferromagnets. Aniekan Magnus Ukpong. Nanomaterials (2021). 10.3390/nano11071770

  8. High-Throughput Investigation of the Electron Transport Properties in Si1-xGex Alloys. B.I. Adetunji, Andrew Supka, Marco Fornari, Arrigo Calzolari. IEEE Access (2021). 10.1109/access.2021.3119898

  9. Key Role of d0 and d10 Cations for the Design of Semiconducting Colusites: Large Thermoelectric ZT in Cu26Ti2Sb6S32 Compounds. Takashi Hagiwara, Koichiro Suekuni, Pierric Lemoine, Andrew Supka, Raju Chetty et al. Chemistry of Materials (2021). 10.1021/acs.chemmater.1c00872

  10. Layer dependent magnetism and topology in monolayer and bilayers ReX3 (X = Br, I). Sharad Mahatara, Boris Kiefer. Journal of Physics Condensed Matter (2021). 10.1088/1361-648x/ac1c2e

  11. Local-Disorder-Induced Low Thermal Conductivity in Degenerate Semiconductor Cu22Sn10S32. Ventrapati Pavan Kumar, Pierric Lemoine, Virginia Carnevali, Gabin Guélou, Oleg I. Lebedev et al. Inorganic Chemistry (2021). 10.1021/acs.inorgchem.1c02105

  12. Long-Range Cationic Order Collapse Triggered by S/Cl Mixed-Anion Occupancy Yields Enhanced Thermoelectric Properties in Cu5Sn2S7. Gabin Guélou, Ventrapati Pavan Kumar, Virginia Carnevali, Oleg I. Lebedev, B. Raveau et al. Chemistry of Materials (2021). 10.1021/acs.chemmater.1c03434

  13. Ordered sphalerite derivative Cu5Sn2S7: a degenerate semiconductor with high carrier mobility in the Cu-Sn-S diagram. Ventrapati Pavan Kumar, Pierric Lemoine, Virginia Carnevali, Gabin Guélou, Oleg I. Lebedev et al. Journal of Materials Chemistry A (2021). 10.1039/d1ta01615f

  14. Room-temperature ferroelectric switching of spin-to-charge conversion in GeTe. Sara Varotto, Luca Nessi, Stefano Cecchi, Jagoda Sławińska, Paul Noël et al. HAL (2021). 10.48550/arxiv.2103.07646

  15. Room-temperature ferroelectric switching of spin-to-charge conversion in germanium telluride. Sara Varotto, Luca Nessi, Stefano Cecchi, Jagoda Sławińska, Paul Noël et al. Nature Electronics (2021). 10.1038/s41928-021-00653-2

  16. Solid Solution Yb2-xCaxCdSb2: Structure, Thermoelectric Properties, and Quality Factor. Kasey P. Devlin, Shunda Chen, Davide Donadio, Susan M. Kauzlarich. Inorganic Chemistry (2021). 10.1021/acs.inorgchem.1c01906

  17. Spin and anomalous Hall effects emerging from topological degeneracy in the Dirac fermion system CuMnAs. H. Vu, Yuki Yanagi, Michi-To Suzuki. Physical Review B (2021). 10.1103/physrevb.104.035110

  18. Spin-Injection Enhancements in van der Waals Magnetic Tunnel Junctions through Barrier Engineering. Jonathan J. Heath, Marcelo A. Kuroda. Physical Review Applied (2021). 10.1103/physrevapplied.16.l041001

  19. Topologically driven linear magnetoresistance in helimagnetic FeP. D. J. Campbell, J. Collini, J. Sławińska, C. Autieri, L. Wang et al. npj Quantum Materials (2021). 10.1038/s41535-021-00337-2

2020#

  1. Controlling spin current polarization through non-collinear antiferromagnetism. T. Nan, C. X. Quintela, J. Irwin, G. Gurung, D. F. Shao et al. Nature Communications (2020). 10.1038/s41467-020-17999-4

  2. Controlling spin current polarization through non-collinear antiferromagnetism. Tianxiang Nan, C.X. Quintela, J. Irwin, G. Gurung, D.F. Shao et al. Insecta mundi (2020).

  3. Disorder information from conductance: A quantum inverse problem. S. Mukim, Felippe Amorim, Alexandre Reily Rocha, R. B. Muniz, Caio Lewenkopf, M. S. Ferreira. Physical Review B (2020). 10.1103/physrevb.102.075409

  4. Impact of impurities on the spin Hall conductivity in β-W. Oliver L. W. McHugh, Wen Fong Goh, Martin Gradhand, Derek A. Stewart. Physical Review Materials (2020). 10.1103/physrevmaterials.4.094404

  5. Nonreciprocal magnons in a two-dimensional crystal with out-of-plane magnetization. Marcio Costa, N. M. R. Peres, J. Fernández-Rossier, A. T. Costa. Physical Review B (2020). 10.1103/physrevb.102.014450

  6. Origin of Low Thermal Conductivity in In4Se3. Son D. N. Luu, Andrew Supka, Van-Huy Nguyen, Dai-Viet N. Vo, Nguyen Tuan Hung et al. ACS Applied Energy Materials (2020). 10.1021/acsaem.0c02489

  7. Role of quantum confinement and interlayer coupling in CrI3-graphene magnetic tunnel junctions. Jonathan J. Heath, Marcio Costa, Marco Buongiorno Nardelli, Marcelo A. Kuroda. Physical Review B (2020). 10.1103/physrevb.101.195439

  8. Spin Hall effect in prototype Rashba ferroelectrics GeTe and SnTe. Haihang Wang, Priya Gopal, Silvia Picozzi, Stefano Curtarolo, Marco Buongiorno Nardelli, Jagoda Sławińska. npj Computational Materials (2020). 10.1038/s41524-020-0274-0

  9. Spin-torque switching of noncollinear antiferromagnetic antiperovskites. Gautam Gurung, Ding-Fu Shao, Evgeny Y. Tsymbal. Physical Review B (2020). 10.1103/physrevb.101.140405

  10. The AFLOW Fleet for Materials Discovery. Cormac Toher, Corey Oses, David Hicks, Eric Gossett, Frisco Rose et al. (2020). 10.1007/978-3-319-44677-6_63

  11. Topological magnons in CrI3 monolayers: an itinerant fermion description. A. T. Costa, D. L. R. Santos, N. M. R. Peres, J. Fernández-Rossier. 2D Materials (2020). 10.1088/2053-1583/aba88f

  12. Ultrathin SnTe films as a route towards all-in-one spintronics devices. Jagoda Sławińska, Frank Cerasoli, Priya Gopal, Marcio Costa, Stefano Curtarolo, Marco Buongiorno Nardelli. 2D Materials (2020). 10.1088/2053-1583/ab6f7a

2019#

  1. Absorption and emission modulation in a MoS2-GaN (0001) heterostructure by interface phonon-exciton coupling. Yuba Poudel, Jagoda Sławińska, Priya Gopal, Sairaman Seetharaman, Zachariah Hennighausen et al. Photonics Research (2019). 10.1364/prj.7.001511

  2. Absorption and emission modulation in MoS2-GaN (0001) heterostructure by interface phonon-exciton coupling. Yuba Poudel, Jagoda Sławińska, Priya Gopal, Sairaman Seetharaman, Zachariah Hennighausen et al. arXiv (2019). 10.48550/arxiv.1906.03899

  3. Anomalous Hall conductivity of noncollinear magnetic antiperovskites. Gautam Gurung, Ding-Fu Shao, Tula R. Paudel, Evgeny Y. Tsymbal. Physical Review Materials (2019). 10.1103/physrevmaterials.3.044409

  4. Anomalous Hall conductivity of noncollinear magnetic antiperovskites. Gautam Gurung, Ding-Fu Shao, Tula R. Paudel, Evgeny Y. Tsymbal. Lincoln (University of Nebraska) (2019).

  5. Automated Computation of Materials Properties. Cormac Toher, Corey Oses, Stefano Curtarolo. (2019). 10.1002/9783527802265.ch7

  6. Dirac Nodal Line Metal for Topological Antiferromagnetic Spintronics. Ding-Fu Shao, Gautam Gurung, Shu-Hui Zhang, Evgeny Y. Tsymbal. Physical Review Letters (2019). 10.1103/physrevlett.122.077203

  7. From DFT to machine learning: recent approaches to materials science — a review. Gabriel R. Schleder, A. C. M. Padilha, Carlos Mera Acosta, Marcio Costa, A. Fazzio. Journal of Physics Materials (2019). 10.1088/2515-7639/ab084b

  8. Giant spin Hall effect in two-dimensional monochalcogenides. Jagoda Sławińska, Frank T Cerasoli, Haihang Wang, Sara Postorino, Andrew Supka et al. 2D Materials (2019). 10.1088/2053-1583/ab0146

  9. Manipulation of Light-Matter Interactions in Molybdenum Disulfide (MoS2) Monolayer through Dressed Phonons (DP) and Plasmons. Yuba Poudel. (2019). 10.12794/metadc1609107

  10. Mechanical Properties of Chemically Modified Clay. Marta Silva dos Santos Gusmão, Priya Gopal, Ilaria Siloi, Stefano Curtarolo, Marco Fornari, Marco Buongiorno Nardelli. Scientific Reports (2019). 10.1038/s41598-019-49972-7

  11. PAOFLOW-Aided Computational Materials Design. Haihang Wang. (2019). 10.12794/metadc1609102

  12. Practical band interpolation with a modified tight-binding method. Carlos R. Reis, José Luís Martins. Journal of Physics Condensed Matter (2019). 10.1088/1361-648x/ab0932

  13. The AFLOW Fleet for Materials Discovery. Cormac Toher, Corey Oses, David Hicks, Eric Gossett, Frisco Rose et al. (2019). 10.1007/978-3-319-42913-7_63-2

  14. Thermoelectric Properties of Minerals with the Mawsonite Structure. Ilaria Siloi, Priya Gopal, Stefano Curtarolo, Marco Buongiorno Nardelli, Paz Vaqueiro, Marco Fornari. ACS Applied Energy Materials (2019). 10.1021/acsaem.9b01564

  15. Toward Realistic Amorphous Topological Insulators. Marcio Costa, Gabriel R. Schleder, Marco Buongiorno Nardelli, Caio Lewenkopf, A. Fazzio. Nano Letters (2019). 10.1021/acs.nanolett.9b03881

2018#

  1. Controlling Topological States in Topological/Normal Insulator Heterostructures. Marcio Costa, A. T. Costa, Walter A. Freitas, T. M. Schmidt, Marco Buongiorno Nardelli, A. Fazzio. ACS Omega (2018). 10.1021/acsomega.8b01836

  2. High Power Factors of Thermoelectric Colusites Cu26T2Ge6S32 (T = Cr, Mo, W): Toward Functionalization of the Conductive “Cu-S” Network. Ventrapati Pavan Kumar, Andrew Supka, Pierric Lemoine, Oleg I. Lebedev, B. Raveau et al. Advanced Energy Materials (2018). 10.1002/aenm.201803249

  3. The AFLOW Fleet for Materials Discovery. Cormac Toher, Corey Oses, David Hicks, Eric Gossett, Frisco Rose et al. (2018). 10.1007/978-3-319-42913-7_63-1