{"id":11,"date":"2014-10-04T10:37:20","date_gmt":"2014-10-04T16:37:20","guid":{"rendered":"https:\/\/materials.astate.edu\/?page_id=11"},"modified":"2025-12-03T17:13:13","modified_gmt":"2025-12-03T23:13:13","slug":"publication","status":"publish","type":"page","link":"https:\/\/materials.astate.edu\/?page_id=11","title":{"rendered":"Publications"},"content":{"rendered":"
    \n
  1. K. Biswas, “The nature of defect tolerance in (some) halide perovskites”, APL Electronic Devices<\/em> 1, 030901 (2025)<\/a>.\u00a0<\/li>\n
  2. B. Kang and K. Biswas, “The halogen vacancy, Tl-activator, and Tl-bound excitons in CsI:Tl scintillator”, J. Appl. Phys.<\/em> 138, 135105 (2025)<\/a>.<\/li>\n
  3. B. Kang and K. Biswas, “Case of the Bromine Vacancy in Cs4<\/sub>PbBr6<\/sub>“, J. Phys. Chem. Lett.<\/em> 14, 10378 (2023)<\/a>.<\/li>\n
  4. K. Biswas, “Revisiting the origin of green emission in Cs4<\/sub>PbBr6<\/sub>“, Mater. Adv. <\/i>3, 6791-6798 (2022)<\/a>.<\/li>\n
  5. X. Wang et al., “Metal Halide Semiconductors beyond Lead-Based Perovskites for Promising Optoelectronic Applications<\/span>“, J. Phys. Chem. Lett.<\/em> 12, 10532 (2021)<\/a>.<\/li>\n
  6. D. Yang et al., “Phase transition pathway of hybrid halide perovskites under compression: Insights from first-principles calculations”, Phys. Rev. Mater.<\/em> 5, 054603 (2021)<\/a>.<\/li>\n
  7. Y Sun et al., “New Polymorphs of 2D Indium Selenide with Enhanced Electronic Properties”, Advanced Functional Materials<\/em>, 2001920 (2020)<\/a>.<\/li>\n
  8. Q Xu et al., “Impact of organic molecule rotation on the optoelectronic properties of hybrid halide perovskites”, Phys. Rev. Mater.<\/em> 3, 125401 (2019)<\/a>.<\/li>\n
  9. X. Wang, Z. Liu, X-G Zhao, J. Lv, K. Biswas*, and, L. Zhang*, “<\/span><\/span>Computational Design of Mixed-Valence Tin Sulfides as Solar Absorbers<\/span>“, ACS Appl. Mater. Interfaces <\/i>11, 24867 (2019)<\/a>.
    <\/span><\/li>\n
  10. B. Kang and K. Biswas, “Exploring Polaronic, Excitonic Structures and Luminescence in Cs4<\/sub>PbBr6<\/sub>\/CsPbBr3<\/sub>“, J. Phys. Chem. Lett.<\/em> 9<\/strong>, 830 (2018)<\/a>.<\/li>\n
  11. Z. Ran, X. Wang, Y. Li, D. Yang, X-G. Zhao, K. Biswas, D. J. Singh, and L. Zhang, “Bismuth and antimony-based oxyhalides and chalcohalides as potential optoelectronic materials”, npj Computational Materials<\/i>\u00a04<\/b>, Article\u00a0number:\u00a014<\/span> (2018<\/span>)<\/a>.<\/li>\n
  12. Y. Sun, S. Luo, X-G Zhao, K. Biswas, S-L Li, and L. Zhang, “InSe: a two-dimensional material with strong interlayer coupling”, Nanoscale<\/em> DOI: 10.1039\/C7NR09486H (2018)<\/span><\/a>.<\/li>\n
  13. B. Kang, Q. Feng, and K. Biswas, “Comparative study of perovskite-type scintillator materials CsCaI3<\/sub> and KCaI3<\/sub> via first-principles calculations”, J. Phys. D: Appl. Phys. <\/em>51<\/b>, 065303 (2018)<\/a>.<\/li>\n
  14. B. Kang and K. Biswas, “Shallow trapping vs.<\/em> deep polarons in a hybrid lead halide perovskite, CH3<\/sub><\/small>NH3<\/sub><\/small>PbI3<\/sub><\/small>“, Physical Chemistry Chemical Physics\u00a0<\/em>19<\/strong>, 27184<\/span> (2017)<\/a>.<\/li>\n
  15. B. Kang and K. Biswas, \u201cPreferential CH3NH3+ Alignment and Octahedral Tilting Affect Charge Localization in Cubic Phase CH3NH3PbI3\u201d, Journal of Physical Chemistry C<\/em> 121<\/strong>, 8319 (2017)<\/a>.<\/li>\n
  16. Q. Feng, R. Noumbissi, K. Biswas, and H. Koizumi, “The role of hydroxyl groups in interchain interactions in cellulose I\u03b1<\/sub> and I\u03b2<\/sub>” Int. J. Quantum Chemistry<\/em> 117<\/strong>, e25357<\/cite> (2017)<\/a>.<\/li>\n
  17. Q. Feng and K. Biswas, “Ramifications of codoping SrI2<\/sub>:Eu with isovalent and aliovalent impurities” J. Appl. Phys. <\/em><\/a>120<\/strong><\/a>, 213104 (2016)<\/a>.<\/li>\n
  18. By. Kang, C. M. Fang, and K. Biswas, “A first-principles based study of ns2<\/sup> containing ternary iodides and their possibility of scintillation” J. Phys. D: Appl. Phys.<\/em> 49<\/strong>, 395103 (2016)<\/a>.<\/li>\n
  19. By. Kang and K. Biswas, “Carrier Self-trapping and Luminescence in Intrinsically Activated Scintillator: Cesium Hafnium Chloride (Cs2<\/sub>HfCl6<\/sub>)<\/span>“ Journal of Physical Chemistry C <\/em>120<\/strong>, 12187 (2016)<\/a>.<\/li>\n
  20. C-M Fang and K. Biswas, “Quaternary Iodides A(BaSr)I5<\/sub>:Eu2+<\/sup> (A = K, Cs) as Scintillators for Radiation Detection<\/span>” Journal of Physical Chemistry C <\/em>120<\/strong>, 1225 (2016)<\/a>.<\/li>\n
  21. Kang et al., \u201cEmerging New Pseudobinary and Ternary Halides as Scintillators for Radiation Detection\u201d IEEE Transactions on Nuclear Science<\/em> (2016)<\/a>.<\/li>\n
  22. C-M Fang and K. Biswas, “Preferential Eu Site Occupation and Its Consequences in the Ternary Luminescent Halides AB<\/span><\/span>2<\/span><\/span><\/span>I<\/span><\/span>5<\/span><\/span><\/span>\u2236<\/span>Eu<\/span><\/span>2<\/span>+<\/span><\/span><\/span><\/span><\/span><\/span><\/span><\/span> (A<\/span>=<\/span>Li<\/span>\u2013<\/span>Cs<\/span><\/span><\/span><\/span><\/span><\/span>; B<\/span>=<\/span>Sr<\/span><\/span><\/span><\/span><\/span><\/span>, Ba)” Physical Review Applied<\/em> 4<\/strong>, 014012 (2015)<\/a>.<\/li>\n
  23. R. Adhikari, Q. Li, R. Williams, A. Burger, and K. Biswas, “DX-like centers in NaI:Tl upon aliovalent codoping”\u00a0 Journal of Applied Physics<\/em> 116<\/strong>, 223703 (2014)<\/a>.<\/li>\n
  24. Q. Li, R. T. Williams, A. Burger, R. Adhikari, and K. Biswas, \u201cSearch for improved-performance scintillator candidates among the electronic structures of mixed halides\u201d, Proceedings of SPIE <\/em>9213<\/strong>, 92130M\u00a0(2014).<\/a><\/li>\n
  25. M.-H. Du and K. Biswas, \u201cElectronic structure engineering of elpasolites: Case of Cs2<\/sub>AgYCl6<\/sub>\u201d Journal of Luminescence <\/em>143<\/strong>, 710 (2013)<\/a>.<\/li>\n
  26. K. Biswas, M.-H. Du, and D. J. Singh \u201cElectronic structure and defect properties of Tl6<\/sub>SeI4<\/sub>: Density functional calculations\u201d Physical Review B <\/em>86<\/strong>, 144108 (2012)<\/a>.<\/li>\n
  27. K. Biswas, M.-H. Du, J. T-Thienprasert, S. Limpijumnong, and D. J. Singh, Comment on \u201cUncovering the complex behavior of hydrogen in Cu2<\/sub>O\u201d Physical Review Letters<\/em> 108<\/strong>, 219703 (2012)<\/a>.<\/li>\n
  28. K. Biswas and M.-H. Du, \u201cEnergy transport and scintillation of Cerium doped elpasolite Cs2<\/sub>LiYCl6<\/sub>: hybrid density functional calculations\u201d Physical Review B <\/em>86<\/strong>, 014102 (2012)<\/a>.<\/li>\n
  29. K. Biswas and M.-H. Du, \u201cWhat Causes of high resistivity in CdTe\u201d New Journal of Physics<\/em> 14<\/strong>, 063020 (2012)<\/a>.<\/li>\n
  30. M.-H. Du and K. Biswas, \u201cAnionic and hidden hydrogen in ZnO\u201d, Physical Review Letters <\/em>106<\/strong>, 115502 (2011)<\/a>.<\/li>\n
  31. K. Biswas and M.-H. Du, \u201cAX centers in II-VI semiconductors: Hybrid Functional Calculations\u201d, Applied Physics Letters<\/em> 98<\/strong>, 181913 (2011)<\/a>.<\/li>\n
  32. M.-H. Du, K. Biswas, and D. J. Singh, \u201cElectronic structure, energy transport, and optical properties of halide scintillators\u201d, Proceedings of SPIE<\/em> 8507<\/strong>, 850705 (2012)<\/a>.<\/li>\n
  33. M.-H. Du, K. Biswas, and D. J. Singh, \u201cResistivity, carrier trapping, and polarization phenomenon in semiconductor radiation detection materials\u201d, Proceedings of SPIE<\/em> 8507<\/strong>, 85070M (2012)<\/a>.<\/li>\n
  34. G. Trimarchi, H. Peng, J. Im, A. J. Freeman, V. Cloet, A. Raw, K. R. Poeppelmeier, K. Biswas, S. Lany, and A. Zunger, \u201cUsing design principles to systematically plan the synthesis of hole-conducting transparent oxides: Cu3<\/sub>VO4<\/sub> and Ag3<\/sub>VO4<\/sub> as a case study\u201d, Physical Review B <\/em>84<\/strong>, 165116 (2011)<\/a>.<\/li>\n
  35. K. Biswas and M.-H. Du, \u201cFirst principles study of native defects in InI\u201d, Journal of Applied Physics<\/em> 109<\/strong>, 113518 (2011)<\/a>.<\/li>\n
  36. K. Biswas, S. Lany, and A. Zunger, \u201cThe electronic consequences of multivalent elements in inorganic solar absorbers: Multivalency of Sn in Cu2<\/sub>ZnSnS4<\/sub>\u201d, Applied Physics Letters<\/em> 96<\/strong>, 201902 (2010)<\/a>.<\/li>\n
  37. M. Beekman, E. N. Nenghabi, K. Biswas, C. W. Myles, M. Baitinger, Y. Grin, and G. S. Nolas, \u201cFramework Contraction in Na-Stuffed Si(cF 136)\u201d, Inorganic Chemistry <\/em>49<\/strong>, 5338 (2010)<\/a>.<\/li>\n
  38. K. Biswas and S. Lany, \u201cEnergetics of quaternary III-V alloys described by incorporation and clustering of impurities\u201d, Physical Review B<\/em> 80<\/strong>, 115206 (2009)<\/a>.<\/li>\n
  39. K. Biswas, A. Franceschetti, and S. Lany, \u201cGeneralized valence-force-field model of (Ga,In)(N,P) ternary alloys\u201d, Physical Review B <\/em>78<\/strong>, 085212 (2008)<\/a>.<\/li>\n
  40. K. Biswas, C. W. Myles, M. Sanati, and G. S. Nolas \u201cThermal properties of guest-free Si136<\/sub> and Ge136<\/sub> clathrates: A first-principles study\u201d, Journal of Applied Physics<\/em> 104<\/strong>, 033535 (2008)<\/a>.<\/li>\n
  41. K. Biswas and C. W. Myles, \u201cElectronic and vibrational properties of framework-substituted type-II Si clathrates\u201d, Physical Review B <\/em>75<\/strong>, 245205 (2007)<\/a>.<\/li>\n
  42. K. Biswas and C. W. Myles, \u201cDensity-functional investigation of Na16<\/sub>A8<\/sub>Ge136<\/sub>(A=Rb,Cs)clathrates\u201d, Journal of Physics: Condensed Matter <\/em>19<\/strong>, 466206 (2007)<\/a>.<\/li>\n
  43. K. Biswas and C. W. Myles, \u201cElectronic properties of the Na16<\/sub>Rb8<\/sub>Si136<\/sub>and K16<\/sub>Rb8<\/sub>Si136<\/sub>clathrates\u201d, Physical Review B <\/em>74<\/strong>, 115113 (2006)<\/a>.<\/li>\n
  44. C. W. Myles, K. Biswas, and E. Nenghabi, \u201cRattling guest impurities in Si and Ge clathrate semiconductors\u201d, Physica B <\/em>401<\/strong>, 695 (2007)<\/a>.<\/li>\n
  45. K. Biswas, S. Gangopadhyay, H. C. Kim, and R. D. Miller, \u201cNanoporous organosilicate films as antireflection coatings\u201d, Thin Solid Films <\/em>514<\/strong>, 350 (2006)<\/a>.<\/li>\n
  46. S Gangopadhyay, J. A. Lubguban, B. Lahlouh, G. Sivaraman, K. Biswas, T. Rajagopalan, N. Biswas, H.-C. Kim, W. Volksen, R. D. Miller, \u201cSupercritical CO2 Treatments for Semiconductor Applications\u201d, MRS Proceedings<\/em> 812<\/strong>, F4.6 (2004)<\/a>.<\/li>\n<\/ol>\n

    Book Chapter<\/h2>\n

    Perovskites \u2013 Revisiting the Venerable ABX3<\/sub> Family with Organic Flexibility and New Applications<\/a>, in Optical Properties of Materials and Their Applications, 2nd Ed. (Wiley)<\/p>\n

    Invited Presentations<\/strong><\/h2>\n
      \n
    1. K. Biswas (2019) “Hybrid and All-Inorganic Perovskite Halides”, Condensed Matter Seminar, Texas A&M University, September, 2019.<\/li>\n
    2. K. Biswas (2018) “Structural and Property Trends Among Complex Halides”, Seminar, University of Memphis, October, 2018.<\/span><\/li>\n
    3. K. Biswas (2018) “A Brief Perspective on Halides as Optoelectronic Materials”, Seminar, Jilin University – China, June, 2018.<\/span><\/li>\n
    4. K. Biswas (2014) \u201cSearch for improved-performance scintillator candidates among the electronic structures of mixed halides\u201d, SPIE Optics+Photonics, San Diego, CA, August, 2014.<\/li>\n
    5. K. Biswas (2014) \u201cImpurities in TlBr\u201d, TlBr Workshop & Review Meeting, University of Michigan, Ann Arbor, MI, June, 2014.<\/li>\n
    6. K. Biswas (2014) \u201cScintillation Mechanisms in Gamma Detectors \u2013 Electronic Structure Theory\u201d, Department of Energy-National Nuclear Security Administration, Washington, DC, April, 2014.<\/li>\n
    7. K. Biswas (2013) \u201cDensity functional models of semiconductors\u201d, TlBr Workshop & Review Meeting, Harvard University, Cambridge, MA, September 19, 2013.<\/li>\n
    8. K. Biswas (2013) \u201cDFT based study of materials for radiation detector application\u201d, 6th DNDO-NSF Annual Academic Research Initiative (ARI) Grantees Program Review, Leesburg, VA, July, 2013.<\/li>\n
    9. K. Biswas (2013) \u201cDFT Studies of Semiconductor and Scintillator Detection Materials\u201d, 2013 March meeting of the American Physical Society, Baltimore, MD, Mar, 2013.<\/li>\n
    10. K. Biswas (2012) \u201cMaterials for application in photovoltaics and optoelectronics\u201d, Applied Materials Science Division, Saha Institute of Nuclear Physics, Calcutta, India, May, 2012.<\/li>\n
    11. K. Biswas (2012) \u201cMaterials for application in photovoltaics and optoelectronics\u201d, Graduate Seminar Series, Materials Science and Engineering Department, University of Tennessee, Knoxville, February, 2012.<\/li>\n<\/ol>\n

      Contributed Presentations<\/strong><\/h2>\n
        \n
      1. K. Biswas (2014) \u201cPhysics Driven Scintillator Design: Co-doping Effects and Solid Solution Properties\u201d, 7th<\/sup> DNDO-NSF Annual Academic Research Initiative (ARI) Grantees Program Review, Leesburg, VA, June, 2014.<\/li>\n
      2. K. Biswas, M-H. Du, and D. J. Singh, (2013) \u201cDensity functional study of the properties of Tl6<\/sub>SeI4<\/sub> for radiation detection applications\u201d and \u201cElectronic Structure Engineering of Elpasolites for Brighter and Faster Scintillators\u201d, March Meeting of the American Physical Society, Baltimore, MD, March, 2013.<\/li>\n
      3. K. Biswas et al. (2012) (i) \u201cUsing design principles to plan the synthesis of p-type transparent conducting oxides\u201d (ii) \u201cCompensation mechanism in highly resistive CdTe for application in radiation detectors\u201d MRS Spring Meeting, San Francisco, CA, April, 2012.<\/li>\n
      4. K. Biswas (2012) College of Science Seminar, \u201cMaterials for application in photovoltaics and optoelectronics\u201d, Department of Chemistry and Physics, Arkansas State University, March, 2012.<\/li>\n
      5. K. Biswas and M-H. Du, (2012) \u201cAX centers in II-VI semiconductors: Hybrid functional calculations\u201d, 2012 March Meeting of the American Physical Society, Boston, MA, February, 2012.<\/li>\n
      6. K. Biswas, D. J. Singh, and M.-H. Du (2011) \u201cFirst principles study of defects and compensation in CdTe for room temperature radiation detection\u201d, II-VI Workshop, Chicago, IL, October, 2011.<\/li>\n
      7. K. Biswas and M.-H. Du, (2011) \u201cStudy of defects in TlBr, InI as potential semiconductor radiation detectors\u201d, March Meeting of the American Physical Society, Dallas, TX, March, 2011.<\/li>\n
      8. M.-H. Du, K. Biswas, and D. J. Singh ,(2011) \u201cEffective Dielectric Screening and Defect Properties in Halide-based Semiconductor Radiation Detectors\u201d, MRS Spring Meeting, Symposium U, April, 2011.<\/li>\n
      9. S. Lany, K. Biswas, J. Vidal, and A. Zunger, (2011) \u201cTheory of Bandstructure and Defect Properties in Compound Semiconductors for Energy Applications\u201d, MRS Spring Meeting, Symposium D, April, 2011.<\/li>\n
      10. S. Lany, K. Biswas, and A. Zunger, (2011) \u201cThe Electronic Consequences of Multivalent Elements in Inorganic Solar Absorbers: Multivalency of Sn in Cu2<\/sub>ZnSnS4<\/sub>\u201d, MRS Spring Meeting, Symposium D, April, 2011.<\/li>\n
      11. K. Biswas, S. Lany, and A. Zunger, (2010) \u201cMultivalency of Sn and its implication in Cu2<\/sub>ZnSnS4<\/sub>\u201d, Gordon Research Conference on Defects in Semiconductors, New London, NH, August, 2010.<\/li>\n
      12. K. Biswas, S. Lany, and A. Zunger, (2010) \u201cMultivalency of Sn in Cu2<\/sub>ZnSnS4<\/sub>\u201d, March Meeting of the American Physical Society, Portland, OR, March, 2010.<\/li>\n
      13. K. Biswas, A. Franceschetti, and S. Lany, (2009) \u201cQuaternary (Ga,In)(P,N) alloys described by clustering of In and N in GaP\u201d, March Meeting of the American Physical Society, Pittsburgh, PA, March, 2009.<\/li>\n
      14. K. Biswas, A. Franceschetti, and S. Lany (2008) \u201cFirst principles and valence force field study of III-V quaternary alloys\u201d, March Meeting of the American Physical Society, New Orleans, LA, March, 2008.<\/li>\n
      15. K. Biswas and C. W. Myles, (2007) \u201cElectronic and vibrational properties of the Na16Rb8Si136 and K16Rb8Si136 clathrates\u201d, March Meeting of the American Physical Society, Denver, CO, March, 2007.<\/li>\n
      16. C. W. Myles, K. Biswas, and E. Nenghabi, (2007) \u201cRattling guest impurities in Si and Ge clathrate semiconductors\u201d Poster presented at the 24th<\/sup> International Conference on Defects in Semiconductors, Albuquerque, NM, July, 2007.<\/li>\n<\/ol>\n\n\n

        <\/p>\n\n\n\n

        <\/p>\n","protected":false},"excerpt":{"rendered":"

        K. Biswas, “The nature of defect tolerance in (some) halide perovskites”, APL Electronic Devices 1, 030901 (2025).\u00a0 B. Kang and K. Biswas, “The halogen vacancy, Tl-activator, and Tl-bound excitons in CsI:Tl scintillator”, J. Appl. Phys. 138, 135105 (2025). B. Kang and K. Biswas, “Case of the Bromine Vacancy in Cs4PbBr6“, J. Phys. Chem. Lett. 14, … Continue reading Publications<\/span> →<\/span><\/a><\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"open","ping_status":"closed","template":"page-templates\/front-page.php","meta":{"footnotes":""},"class_list":["post-11","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/materials.astate.edu\/index.php?rest_route=\/wp\/v2\/pages\/11","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/materials.astate.edu\/index.php?rest_route=\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/materials.astate.edu\/index.php?rest_route=\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/materials.astate.edu\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/materials.astate.edu\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=11"}],"version-history":[{"count":69,"href":"https:\/\/materials.astate.edu\/index.php?rest_route=\/wp\/v2\/pages\/11\/revisions"}],"predecessor-version":[{"id":374,"href":"https:\/\/materials.astate.edu\/index.php?rest_route=\/wp\/v2\/pages\/11\/revisions\/374"}],"wp:attachment":[{"href":"https:\/\/materials.astate.edu\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=11"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}