Publications

2024

72. Factors influencing quantum evaporation of helium from polar semiconductors from first principles

Lakshay Dheer, Liang Z. Tan, S. A. Lyon, Thomas Schenkel, and Sinéad M. Griffin

Phys. Rev. D 110, 095036  (2024) [web] [pdf]

71. Characteristic terahertz emissions induced by optically excited collective orbital modes

Sangeeta Rajpurohit, Christian Jooss, Simone Techert, Tadashi Ogitsu, P. E. Blöchl, and L. Z. Tan

Phys. Rev. B 110, 104309 (2024) [web] [pdf]

70. Ultrafast temporal phase-resolved nonlinear optical spectroscopy in the molecular frame

Siddhant Pandey, Liang Z. Tan, Francis Walz, Varun Makhija, and Niranjan Shivaram  

Optica, 11, 776-781 (2024) [web] [pdf]

69. Programmable quantum emitter formation in silicon

K. Jhuria, V. Ivanov, D. Polley, Y. Zhiyenbayev, W. Liu, A. Persaud, W. Redjem, W. Qarony, P. Parajuli, Q. Ji, A. J. Gonsalves, J. Bokor, L. Z. Tan, B. Kanté and T. Schenkel

Nature Communications, 15, 4497 (2024)  [web] [pdf]

68. Excitons and Singlet Fission at the Crystalline Tetracene–Silicon Interface

Mykhailo V. Klymenko, Liang Z. Tan, Salvy. P. Russo, Jared H. Cole 

Chem. Mater.  (2024) [web] [pdf]

67. Intrinsic origin and enhancement of topological responses in ferrimagnetic antiperovskite Mn4N  

Temuujin Bayaraa, Vsevolod Ivanov, Liang Z. Tan, and Sinéad M. Griffin

Phys. Rev. B 109, 014430 (2024) [web] [pdf]

2023

66. Tuning perovskite nanocrystal superlattices for superradiance in the presence of disorder  

T. P. Tan Nguyen, Liang Z. Tan, and Dmitry Baranov

J. Chem. Phys. 159, 204703 (2023) [web] [pdf]

65. Ballistic photocurrent driven by optical phonon modes in a polaronic ferroelectric  

Sangeeta Rajpurohit, Tadashi Ogitsu, and Liang Z. Tan

Phys. Rev. B 108, 104305 (2023) [web] [pdf]

64. Correlated anharmonicity and dynamic disorder control carrier transport in halide perovskites  

Maximilian J. Schilcher, David J. Abramovitch, Matthew Z. Mayers, Liang Z. Tan, David R. Reichman, and David A. Egger

Phys. Rev. Materials 7, L081601 (2023), Editor's Suggestion  [web] [pdf]

63. Direct Observation of Enhanced Electron-Phonon Coupling in Copper Nanoparticles in the Warm-Dense Matter Regime  

Quynh L. D. Nguyen, Jacopo Simoni, Kevin M. Dorney, Xun Shi, Jennifer L. Ellis, Nathan J. Brooks, Daniel D. Hickstein, Amanda G. Grennell, Sadegh Yazdi, Eleanor E. B. Campbell, Liang Z. Tan, David Prendergast, Jerome Daligault, Henry C. Kapteyn, and Margaret M. Murnane

Phys. Rev. Lett. 131, 085101 (2023)   [web] [pdf]

62. Quantum Emitter Formation Dynamics and Probing of Radiation-Induced Atomic Disorder in Silicon  

Wei Liu, Vsevolod Ivanov, Kaushalya Jhuria, Qing Ji, Arun Persaud, Walid Redjem, Jacopo Simoni, Yertay Zhiyenbayev, Boubacar Kante, Javier Garcia Lopez, Liang Z. Tan, and Thomas Schenkel

Phys. Rev. Applied 20, 014058 (2023)   [web] [pdf]

61. All-silicon quantum light source by embedding an atomic emissive center in a nanophotonic cavity  

W. Redjem, Y. Zhiyenbayev, W. Qarony, V. Ivanov, C. Papapanos, W. Liu, K. Jhuria, Z. Y. Al Balushi, S. Dhuey, A. Schwartzberg, L. Z. Tan, T. Schenkel, and B. Kanté

Nature Communications, 14, 3321 (2023)   [web] [pdf]

60. Defect engineering of silicon with ion pulses from laser acceleration 

W. Redjem, A. J. Amsellem, F. I. Allen, G. Benndorf, J. Bin, S. Bulanov, E. Esarey, L. C. Feldman, J. F. Fernandez, J. G. Lopez, L. Geulig, C. R. Geddes, H. Hijazi, Q. Ji, V. Ivanov, B. Kanté, A. Gonsalves, J. Meijer, K. Nakamura, A. Persaud, I. Pong, L. Obst-Huebl, P. A. Seidl, J. Simoni, C. Schroeder, S. Steinke, L. Z. Tan, R. Wunderlich, B. Wynne & T. Schenkel

Commun Mater  4, 22 (2023)   [web] [pdf]

59. Scalable manufacturing of quantum light emitters in silicon under rapid thermal annealing 


Yertay Zhiyenbayev, Walid Redjem, Vsevolod Ivanov, Wayesh Qarony, Christos Papapanos, Jacopo Simoni, Wei Liu, Kaushalya Jhuria, Liang Z. Tan, Thomas Schenkel, Boubacar Kanté

Optics Express, 31, 8352  (2023)  [web] [pdf]

58. Surface effects on anisotropic photoluminescence in one-dimensional organic metal halide hybrids

Luke M. McClintock, Long Yuan, Ziyi Song, Michael T. Pettes, Dmitry Yarotski, Rijan Karkee, David A. Strubbe, Liang Z. Tan, Azza Ben-Akacha, Biwu Ma, Yunshu Shi, Valentin Taufour, and Dong Yu

Small Structures, 4, 2200378 (2023)  [web] [pdf]

2022

57. Photo-induced phase-transitions in complex solids

Sangeeta Rajpurohit, Jacopo Simoni, and Liang Z. Tan

Nanoscale Adv., 4, 4997-5008  (2022)  [web] [pdf]

56. Effect of localization on photoluminescence and zero-field splitting of silicon color centers

Vsevolod Ivanov, Jacopo Simoni, Yeonghun Lee, Wei Liu, Kaushalya Jhuria, Walid Redjem, Yertay Zhiyenbayev, Christos Papapanos, Wayesh Qarony, Boubacar Kanté, Arun Persaud, Thomas Schenkel, and Liang Z. Tan

Phys. Rev. B 106, 134107 (2022)  [web] [pdf]

55. Electric field measurement of femtosecond time-resolved four-wave mixing signals in molecules

Francis Walz, Siddhant Pandey, Liang Z. Tan, and Niranjan Shivaram  

Optics Express, 30, 36065 (2022)  [web] [pdf]

54. A Many-Body Perturbation Theory Approach to Energy Band Alignment at the Crystalline Tetracene–Silicon Interface

Mykhailo V. Klymenko, Liang Z. Tan, Salvy P. Russo, Jared H. Cole 

Advanced Theory and Simulations, 5, 2200413  (2022)  [web] [pdf]

53. Impact of anisotropy in spin-orbit coupling on the magneto-optical properties of bulk lead halide perovskites

Alyssa Kostadinov-Mutzafi, Jenya Tilchin, Arthur Shapiro, Dmitry N. Dirin, Maksym V. Kovalenko, Liang Z. Tan, and Efrat Lifshitz

Phys. Rev. B 106, 035303  (2022)  [web] [pdf]

52. Evidence of nested quasi-one-dimensional Fermi surface and decoupled charge-lattice orders in layered TaTe2

Yi Lin, Maximillian Huber, Sangeeta Rajpurohit, Yanglin Zhu, Khalid M. Siddiqui, Daniel H. Eilbott, Luca Moreschini, Ping Ai, Jonathan D. Denlinger, Zhiqiang Mao, Liang Z. Tan, and Alessandra Lanzara

Phys. Rev. Research 4, L022009  (2022)  [web] [pdf]

51. Nonperturbative study of bulk photovoltaic effect enhanced by an optically induced phase transition

Sangeeta Rajpurohit, C. Das Pemmaraju, Tadashi Ogitsu, and Liang Z. Tan

Phys. Rev. B 105, 094307  (2022)  [web] [pdf]

2021

50. Inq, a Modern GPU-Accelerated Computational Framework for (Time-Dependent) Density Functional Theory  

Xavier Andrade, Chaitanya Das Pemmaraju, Alexey Kartsev, Jun Xiao, Aaron Lindenberg, Sangeeta Rajpurohit, Liang Z. Tan, Tadashi Ogitsu, and Alfredo A. Correa

J. Chem. Theory Comput. 17, 12, 7447 (2021)  [web] [pdf]

49. First-principles Characterization of Surface Phonons of Halide Perovskite CsPbI3 and their Role in Stabilization  

Ruo Xi Yang and Liang Z. Tan

J. Phys. Chem. Lett. 12, 38, 9253 (2021) [web] [pdf]

48. Enhancing Defect Tolerance with Ligands at the Surface of Lead Halide Perovskites 

Tyler J. Smart, Hiroyuki Takenaka, Tuan Anh Pham, Liang Z. Tan, Jin Z. Zhang, Tadashi Ogitsu, and Yuan Ping

J. Phys. Chem. Lett. 12, 27, 6299 (2021) [web] [pdf]

47. Thermal fluctuations and carrier localization induced by dynamic disorder in MAPbI$_3$ described by first-principles based tight-binding model 

David J. Abramovitch, Wissam A. Saidi, and Liang Z. Tan 

Phys. Rev. Materials 5, 085404 (2021) [web] [pdf]

46. Ultrafast optical melting of trimer superstructure in layered 1T-TaTe2

Khalid M. Siddiqui, Daniel B. Durham, Frederick Cropp, Colin Ophus, Sangeeta Rajpurohit, Yanglin Zhu, Johan D. Carlström, Camille Stavrakas, Zhiqiang Mao, Archana Raja, Pietro Musumeci, Liang Z. Tan, Andrew M. Minor, Daniele Filippetto, Robert A. Kaindl 

Communications Physics 4, 152 (2021) [web] [pdf]

45. The Significance of Polarons and Dynamic Disorder in Halide Perovskites

Maximilian J. Schilcher, Paul J. Robinson, David J. Abramovitch, Liang Z. Tan, Andrew M. Rappe, David R. Reichman, and David A. Egger

ACS Energy Lett. 6, 2162-2173 (2021) [web] [pdf]

44. Phonon-assisted ballistic current from first-principles calculations

Zhenbang Dai, Aaron M. Schankler, Lingyuan Gao, Liang Z. Tan, and Andrew M. Rappe

Phys. Rev. Lett. 126, 177403 (2021) [web] [pdf]

2020

43. Aging of Self-Assembled Lead Halide Perovskite Nanocrystal Superlattices: Effects on Photoluminescence and Energy Transfer

Dmitry Baranov, Antonio Fieramosca, Ruo Xi Yang, Laura Polimeno, Giovanni Lerario, Stefano Toso, Carlo Giansante, Milena De Giorgi, Liang Z. Tan, Daniele Sanvitto, and Liberato Manna

ACS Nano, 15, 1, 650–664  (2021) [web] [pdf]

42. Ultrafast spin-nematic and ferroelectric phase transitions induced by femtosecond light pulses

Sangeeta Rajpurohit, Liang Z. Tan, Christian Jooss, and P. E. Blöchl

Phys. Rev. B 102, 174430 (2020) [web] [pdf]

41. Layer Edge States Stabilized by Internal Electric Fields in Two-Dimensional Hybrid Perovskites

Jisook Hong, David Prendergast, and Liang Z. Tan

Nano Lett. 21, 1, 182–188 (2021) [web] [pdf]

40. Phase Control and In-situ Passivation of Quasi-2D Metal Halide Perovskites for Spectrally Stable Blue Light-Emitting Diodes

Michael Worku, Qingquan He, Liang-Jin Xu, Jisook Hong, Ruoxi Yang, Liang Z. Tan, and Biwu Ma

ACS Appl. Mater. Interfaces 12, 40, 45056–45063  (2020) [web] [pdf]

39. Ultrafast Dynamics of Excited Electronic States in Nitrobenzene Measured by Ultrafast Transient Polarization Spectroscopy

R Thurston, MM Brister, LZ Tan, EG Champenois, S Bakhti, P Muddukrishna, T Weber, A Belkacem, DS Slaughter, N Shivaram

J. Phys. Chem. A 124, 2573-2579 (2020) [web] [pdf]

38. Shift-current bulk photovoltaic effect influenced by quasiparticle and exciton

R Fei, LZ. Tan, and AM Rappe

Phys. Rev. B 101, 045104 (2020) [web] [pdf]

37. Temperature and Gate Dependence of Carrier Diffusion in Single Crystal Methylammonium Lead Iodide Perovskite Microstructures

L McClintock, R Xiao, Y Hou, C Gibson, HC Travaglini, D Abramovitch, LZ Tan, RT Senger, Y Fu, S Jin, D Yu

J. Phys. Chem. Lett. 11, 1000-1006 (2020) [web] [pdf]

36.  Understanding size dependence of phase stability and band gap in CsPbI3 perovskite nanocrystals

RX Yang and LZ Tan

J. Chem. Phys. 152, 034702 (2020); Lead Halide Perovskites Special Topic 2019 [web] [pdf]

2019

35.  Light-Induced Currents at Domain Walls in Multiferroic BiFeO3

B Guzelturk, AB Mei, L Zhang, LZ Tan, P Donahue, AG Singh, DG Schlom, LW Martin, AM Lindenberg

Nano Lett. 20, 1, 145 (2020) [web] [pdf]

34.  Upper limit on shift current generation in extended systems 

LZ Tan and AM Rappe

Phys. Rev. B 100, 085102 (2019) [web] [pdf]

33.  Effect of wavefunction delocalization on shift current generation 

LZ Tan and AM Rappe

J. Phys.: Condens. Matter 31, 084002 (2019), Emerging Leaders 2018 [web] [pdf]

2010-2018

32.  Ubiquitous Short-Range Distortion of Hybrid Perovskites and Hydrogen-Bonding Role: the MAPbCl3 Case 

A Bernasconi, K Page, Z Dai, LZ Tan, AM Rappe, and L Malavasi

J. Phys. Chem. C 122, 28265–28272 (2018) [web] [pdf]

31.  How Lattice and Charge Fluctuations Control Carrier Dynamics in Halide Perovskites 

MZ Mayers, LZ Tan, DA Egger , AM Rappe , and DR Reichman

Nano Lett. 18, 8041-8046 (2018) [web] [pdf]

30.  Long-lived polarization memory in the electronic states of lead-halide perovskites from local structural dynamics 

JPH Rivett, LZ Tan, MB Price, SA Bourelle, NJLK Davis, J Xiao, Y Zou, R Middleton, B Sun, AM Rappe, D Credgington and F Deschler 

Nat. Comm. 9, 3531 (2018) [web] [pdf]

29. Enhancing ferroelectric photovoltaic effect by polar order engineering 

L You, F Zheng, L Fang, Y Zhou, LZ Tan, Z Zhang, G Ma, D Schmidt, A Rusydi, L Wang, L Chang, AM Rappe and J Wang

Sci. Adv. 4, eaat3438 (2018) [web] [pdf]

28. Anion exchange in II-VI semiconducting nanostructures via atomic templating 

R Agarwal, NM Krook, ML Ren, LZ Tan, W Liu, AM Rappe and R Agarwal

Nano Lett. 18, 1620-1627 (2018) [web] [pdf]

27. Molecule-adsorbed topological insulator and metal surfaces: a comparative first principles study 

S Sarkar, J Yang, LZ Tan, AM Rappe and L Kronik

Chem. Mater. 30, 1849-1855 (2018) [web] [pdf]

26. Spin-orbit enhanced carrier lifetimes in noncentrosymmetric semiconductors 

LZ Tan and AM Rappe

J. Phys. Chem. Sol. article ASAP (2018) [web] [pdf]

25. Hybrid functional pseudopotentials 

J Yang, LZ Tan and AM Rappe

Phys. Rev. B 97, 085130 (2018) [web] [pdf]

24. Polarized emission in II-VI and perovskite colloidal quantum dots 

M Isarov, LZ Tan, J Tilchin, FT Rabouw, MI Bodnarchuk, RJA van Dijk-Moes, R Carmi, Y Barak, A Kostadinov, I Meir, D Vanmaekelbergh, MV Kovalenko, AM Rappe and E Lifshitz

J. Phys. B: At. Mol. Opt. Phys. 50, 214001 (2017) [web] [pdf]

23. Synthesis and Physical Properties of Phase-Engineered Transition Metal Dichalcogenide Monolayer Heterostructures 

CH Naylor, WM Parkin, Z Gao, J Berry, S Zhou, Q Zhang, JB McClimon, LZ Tan, CE Kehayias, M-Q Zhao, RS Gona, RW Carpick, AM Rappe, DJ Srolovitz, M Drndic, ATC Johnson

ACS Nano 11, 8619 (2017) [web] [pdf]

22. Light-induced picosecond rotational disordering of the inorganic sublattice in hybrid perovskites 

X Wu, LZ Tan, X Shen, T Hu, K Miyata, MT Trinh, R Li, R Coffee, S Liu, DA Egger, I Makasyuk, Q Zheng, A Fry, JS Robinson, MD Smith, B Guzelturk, HI Karunadasa, X Wang, XY Zhu, L Kronik, AM Rappe, AM Lindenberg

Science Advances 3, e1602388 (2017) [web] [pdf]

21. Rashba effect in single colloidal CsPbBr3 perovskite nanocrystal detected by magneto-optical measurements 

M Isarov, LZ Tan, MI Bodnarchuk, MV Kovalenko, AM Rappe, E Lifshitz

Nano Lett. 17 (8), 5020-5026 (2017) [web] [pdf]

20. Large-area synthesis of high-quality monolayer 1T'-WTe2 flakes 

CH Naylor, WM Parkin, Z Gao, H Kang, M Noyan, RB Wexler, LZ Tan, Y Kim, CE Kehayais, F Streller, YR Zhou, R Carpick, Z Luo, YW Park, AM Rappe, M Drndic, JM Kikkawa, ATC Johnson

2D Materials 4, 021008 (2017) [web] [pdf]

19. Intermolecular Interactions in Hybrid Perovskites Understood from a Combined Density Functional Theory and Effective Hamiltonian Approach 

LZ Tan, F Zheng, AM Rappe

ACS Energy Lett. 2, 937-942 (2017) [web] [pdf]

18. Local Polar Fluctuations in Lead Halide Perovskite Crystals 

O Yaffe, Y Guo, LZ Tan, DA Egger, T Hull, C Stoumpos, F Zheng, TF Heinz, L Kronik, MG Kanatzidis, JS Owen, AM Rappe, MA Pimenta, LE Brus

Phys. Rev. Lett. 118, 136001 (2017) [web] [pdf]

17. Effective mass in bilayer graphene at low carrier densities: The role of potential disorder and electron-electron interaction 

J Li, LZ Tan, K Zou, AA Stabile, DJ Seiwell, K Watanabe, T Taniguchi, SG Louie, J Zhu

Phys. Rev. B 94, 161406 (2016) [web] [pdf]

16. Shift Current Bulk Photovoltaic Effect in Polar Materials - hybrid and oxide perovskites and beyond 

LZ Tan, F Zheng, SM Young, F Wang, S Liu, AM Rappe

npj Comput. Mat. 2, 16026 (2016) [web] [pdf]

15. High Chloride Doping Levels Stabilize the Perovskite Phase of Cesium Lead Iodide 

S Dastidar, DA Egger, LZ Tan, SB Cromer, AD Dillon, S Liu, L Kronik, AM Rappe, AT Fafarman

Nano Lett. 16 (6), 3563-3570 (2016) [web] [pdf]

14. Enhancement of Bulk Photovoltaic Effect in Topological Insulators 

LZ Tan, AM Rappe

Phys. Rev. Lett. 116, 237402 (2016) [web] [pdf]

13. Strain-Induced Ferroelectric Topological Insulator 

S Liu, Y Kim, LZ Tan, AM Rappe

Nano Lett. 16 (3), 1663-1668 (2016) [web] [pdf]

12. Rashba Spin-Orbit Coupling Enhanced Carrier Lifetime in CH3NH3PbI3 

F Zheng, LZ Tan, S Liu, AM Rappe

Nano Lett. 15 (12), 7794-7800 (2015) [web] [pdf]

11. SU(4) symmetry breaking revealed by magneto-optical spectroscopy in epitaxial graphene 

LZ Tan, M Orlita, M Potemski, J Palmer, C Berger, WA de Heer, SG Louie, G Martinez

Phys. Rev. B 91, 235122(2015) [web] [pdf]

10. Manipulation and Characterization of Aperiodical Graphene Structures Created in a Two-Dimensional Electron Gas 

S Wang, LZ Tan, W Wang, SG Louie, N Lin

Phys. Rev. Lett. 113, 196803 (2014) [web] [pdf]

9. Imaging and Tuning Molecular Levels at the Surface of a Gated Graphene Device 

A Riss, S Wickenburg, LZ Tan, HZ Tsai, Y Kim, J Lu, AJ Bradley, MM Ugeda, KL Meaker, K Watanabe, T Taniguchi, A Zettl, FR Fischer, SG Louie, MF Crommie

ACS nano 8 (6), 5395-5401 (2014) [web] [pdf]

8. Local Electronic and Chemical Structure of Oligo-acetylene Derivatives Formed Through Radical Cyclizations at a Surface 

A Riss, S Wickenburg, P Gorman, LZ Tan, HZ Tsai, DG de Oteyza, YC Chen, AJ Bradley, MM Ugeda, G Etkin, SG Louie, FR Fischer, MF Crommie

Nano Lett. 14 (5), 2251-2255 (2014) [web] [pdf]

7. Tuning two-dimensional band structure of Cu(111) surface-state electrons that interplay with artificial supramolecular architectures 

S Wang, W Wang, LZ Tan, XG Li, Z Shi, G Kuang, PN Liu, SG Louie, N Lin

Phys. Rev. B 88, 245430 (2013) [web] [pdf]

6. Theory of the Raman spectrum of rotated double-layer graphene 

S Coh, LZ Tan, SG Louie, ML Cohen

Phys. Rev. B 88, 165431 (2013) [web] [pdf]

5. Raman Spectroscopy Study of Rotated Double-Layer Graphene: Misorientation-Angle Dependence of Electronic Structure 

K Kim, S Coh, LZ Tan, W Regan, JM Yuk, E Chatterjee, MF Crommie, ML Cohen, SG Louie, A Zettl

Phys. Rev. Lett. 108, 246103 (2012) [web] [pdf]

4. Resonant Excitation of Graphene K-Phonon and Intra-Landau-Level Excitons in Magneto-Optical Spectroscopy 

M Orlita, LZ Tan, M Potemski, M Sprinkle, C Berger, WA de Heer, SG Louie, G Martinez

Phys. Rev. Lett. 108, 247401 (2012) [web] [pdf]

3. New Dirac Fermions in Periodically Modulated Bilayer Graphene 

LZ Tan, CH Park, SG Louie

Nano letters 11 (7), 2596-2600 (2011) [web] [pdf]

2. Theory of the electronic and transport properties of graphene under a periodic electric or magnetic field 

CH Park, LZ Tan, SG Louie

Physica E 43 (3), 651-656 (2011) [web] [pdf]

1. Graphene Dirac fermions in one-dimensional inhomogeneous field profiles: Transforming magnetic to electric field 

LZ Tan, CH Park, SG Louie

Phys. Rev. B 81, 195426 (2010) [web] [pdf]