Prof. Dr. Silvana Botti


Fon: +49 234 32 28773
E-Mail: silvana.botti@rub.de

Universitätsstr. 150
44801 Bochum

Silvana Botti holds the professorship for the computational design of functional interfaces in Bochum; in this role, she’s also a member of the Faculty of Physics and Astronomy. She took up the same post at her previous station, the Friedrich Schiller University in Jena. Silvana Botti, who has Italian and Portuguese citizenship, studied physics in Pavia. She’s been working in close collaboration with experimental groups on groundbreaking topics in condensed matter physics and optics for some time, in addition to having a considerable track record in developing theories, methods and scientific software.

www.icams.de/institute/departments-groups/computational-design-of-functional-interfaces/

Publications

  • 2021
2021
  • article
article2021Cesar JaraTomáš RauchSilvana BottiMiguel A. L. MarquesAriel NorambuenaRaul CotoJ.E. Castellanos-AguilaJeronimo R. MazeFrancisco Munoz

First-principles identification of single photon emitters based on carbon clusters in hexagonal boron nitride

Cesar Jara, Tomáš Rauch, Silvana Botti, Miguel A. L. Marques, Ariel Norambuena, Raul Coto, J.E. Castellanos-Aguila, Jeronimo R. Maze, Francisco Munoz:
Journal of Physical Chemistry A (2021)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85101554082&doi=10.1021%2facs.jpca.0c07339&partnerID=40&md5=929269de11e0fd175bb0528522637d5dhttps://dx.doi.org/10.1021/acs.jpca.0c07339
2021
  • article
article2021Pedro BorlidoJens Renè SuckertJürgen FurthmüllerFriedhelm BechstedtSilvana BottiClaudia Rödl

From pseudo-direct hexagonal germanium to direct silicon-germanium alloys

Pedro Borlido, Jens Renè Suckert, Jürgen Furthmüller, Friedhelm Bechstedt, Silvana Botti, Claudia Rödl:
Physical Review Materials (2021)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85120372034&doi=10.1103%2fPhysRevMaterials.5.114604&partnerID=40&md5=c89b695f67bba08ae32d7760926bf78dhttps://dx.doi.org/10.1103/PhysRevMaterials.5.114604
2021
  • article
article2021Jingming ShiEmiliano FondaSilvana BottiMiguel A. L. MarquesToru ShinmeiTetsuo IrifuneAnne-Marie FlankPierre LagardeAlain PolianJean-Paul ItiéAlfonso San-Miguel

Halogen molecular modifications at high pressure: The case of iodine

Jingming Shi, Emiliano Fonda, Silvana Botti, Miguel A. L. Marques, Toru Shinmei, Tetsuo Irifune, Anne-Marie Flank, Pierre Lagarde, Alain Polian, Jean-Paul Itié, Alfonso San-Miguel:
Physical Chemistry Chemical Physics (2021)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85100833574&doi=10.1039%2fd0cp05942k&partnerID=40&md5=cddc9b3abd793c2d77d00124a2f0d89chttps://dx.doi.org/10.1039/d0cp05942k
2021
  • article
article2021Michael SeifertMoemi KawashimaClaudia RödlSilvana Botti

Layered CuI: a path to 2D p-type transparent conducting materials

Michael Seifert, Moemi Kawashima, Claudia Rödl, Silvana Botti:
Journal of Materials Chemistry C (2021)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85114273129&doi=10.1039%2fd1tc02554f&partnerID=40&md5=e91bed315e5a44b167a01d82d3a8494fhttps://dx.doi.org/10.1039/d1tc02554f
2021
  • article
article2021Lin SunMário R. G. MarquesMiguel A. L. MarquesSilvana Botti

Point defects in hexagonal silicon

Lin Sun, Mário R. G. Marques, Miguel A. L. Marques, Silvana Botti:
Physical Review Materials (2021)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85109110466&doi=10.1103%2fPhysRevMaterials.5.064605&partnerID=40&md5=8b2b9c1ff0ef46e01afc642abda69ee7https://dx.doi.org/10.1103/PhysRevMaterials.5.064605
2021
  • article
article2021Hai-Chen WangSilvana BottiMiguel A. L. Marques

Predicting stable crystalline compounds using chemical similarity

Hai-Chen Wang, Silvana Botti, Miguel A. L. Marques:
npj Computational Materials (2021)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85099775532&doi=10.1038%2fs41524-020-00481-6&partnerID=40&md5=69ff295f61e9d54ede3a4be7eb4a5d2bhttps://dx.doi.org/10.1038/s41524-020-00481-6
2021
  • article
article2021Kun GaoWenwen CuiJu ChenQinfang WangJian HaoJingming ShiCailong LiuSilvana BottiMiguel A. L. MarquesYinwei Li

Superconducting hydrogen tubes in hafnium hydrides at high pressure

Kun Gao, Wenwen Cui, Ju Chen, Qinfang Wang, Jian Hao, Jingming Shi, Cailong Liu, Silvana Botti, Miguel A. L. Marques, Yinwei Li:
Physical Review B (2021)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85122028269&doi=10.1103%2fPhysRevB.104.214511&partnerID=40&md5=927f55e18d0c81b20b61d7233c05428chttps://dx.doi.org/10.1103/PhysRevB.104.214511
2021
  • article
article2021Elham M. T. FadalyAnna MarzegalliYizhen RenLin SunAlain DijkstraDiego De MatteisEmilio ScaliseAndrey SarikovMarta De LucaRiccardo RuraliIlaria ZardoJos E. M. HaverkortSilvana BottiLeo MiglioErik P. A. M. BakkersMarcel A. Verheijen

Unveiling Planar Defects in Hexagonal Group IV Materials

Elham M. T. Fadaly, Anna Marzegalli, Yizhen Ren, Lin Sun, Alain Dijkstra, Diego De Matteis, Emilio Scalise, Andrey Sarikov, Marta De Luca, Riccardo Rurali, Ilaria Zardo, Jos E. M. Haverkort, Silvana Botti, Leo Miglio, Erik P. A. M. Bakkers, Marcel A. Verheijen:
Nano Letters (2021)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85105048468&doi=10.1021%2facs.nanolett.1c00683&partnerID=40&md5=5bad0db755074c64b6293abb4dc621d8https://dx.doi.org/10.1021/acs.nanolett.1c00683
  • 2020
2020
  • article
article2020Tomáš RauchMiguel A. L. MarquesSilvana Botti

Accurate electronic band gaps of two-dimensional materials from the local modified Becke-Johnson potential

Tomáš Rauch, Miguel A. L. Marques, Silvana Botti:
Physical Review B (2020)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85094669498&doi=10.1103%2fPhysRevB.101.245163&partnerID=40&md5=37e8679dbd7b53d7ddf031199047be10https://dx.doi.org/10.1103/PhysRevB.101.245163
2020
  • article
article2020Konrad RitterStefanie EcknerCora PreißGalina GurievaThomas BischoffEdmund WelterSilvana BottiSusan SchorrClaudia S. Schnohr

Atomic scale structure and its impact on the band gap energy for Cu2Zn(Sn,Ge)Se4 kesterite alloys

Konrad Ritter, Stefanie Eckner, Cora Preiß, Galina Gurieva, Thomas Bischoff, Edmund Welter, Silvana Botti, Susan Schorr, Claudia S. Schnohr:
JPhys Energy (2020)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85103320225&doi=10.1088%2f2515-7655%2fab9d8b&partnerID=40&md5=422fd87281b7111e32a5861a35ceb4d0https://dx.doi.org/10.1088/2515-7655/ab9d8b
2020
  • article
article2020Elham M. T. FadalyAlain DijkstraJens Renè SuckertDorian ZissMarvin A. J. TilburgChenyang MaoYizhen RenVictor T. LangeKsenia KorzunSebastian KöllingMarcel A. VerheijenDavid BusseClaudia RödlJürgen FurthmüllerFriedhelm BechstedtJulian StanglJonathan J. FinleySilvana BottiJos E. M. HaverkortErik P. A. M. Bakkers

Direct-bandgap emission from hexagonal Ge and SiGe alloys

Elham M. T. Fadaly, Alain Dijkstra, Jens Renè Suckert, Dorian Ziss, Marvin A. J. Tilburg, Chenyang Mao, Yizhen Ren, Victor T. Lange, Ksenia Korzun, Sebastian Kölling, Marcel A. Verheijen, David Busse, Claudia Rödl, Jürgen Furthmüller, Friedhelm Bechstedt, Julian Stangl, Jonathan J. Finley, Silvana Botti, Jos E. M. Haverkort, Erik P. A. M. Bakkers:
Nature (2020)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85083162413&doi=10.1038%2fs41586-020-2150-y&partnerID=40&md5=04cdfbe9e7182b58da50ad61be9fa5dahttps://dx.doi.org/10.1038/s41586-020-2150-y
2020
  • article
article2020Giancarlo CappelliniAndrea BosinGiovanni SerraJürgen FurthmüllerFriedhelm BechstedtSilvana Botti

Electronic and Optical Properties of Small Metal Fluoride Clusters

Giancarlo Cappellini, Andrea Bosin, Giovanni Serra, Jürgen Furthmüller, Friedhelm Bechstedt, Silvana Botti:
ACS Omega (2020)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85085902408&doi=10.1021%2facsomega.0c01317&partnerID=40&md5=d44cf5fe19f4b9f5f0eb2e268f18eb09https://dx.doi.org/10.1021/acsomega.0c01317
2020
  • article
article2020Tomáš RauchMiguel A. L. MarquesSilvana Botti

Erratum: Accurate electronic band gaps of two-dimensional materials from the local modified Becke-Johnson potential (Physical Review B (2020) 101 (245163) DOI: 10.1103/PhysRevB.101.245163)

Tomáš Rauch, Miguel A. L. Marques, Silvana Botti:
Physical Review B (2020)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85096093425&doi=10.1103%2fPhysRevB.102.119902&partnerID=40&md5=367b87103e3f9d9d9a5caca6b9bed8ebhttps://dx.doi.org/10.1103/PhysRevB.102.119902
2020
  • article
article2020Pedro BorlidoJonathan SchmidtAhmad W. HuranFabien TranMiguel A. L. MarquesSilvana Botti

Exchange-correlation functionals for band gaps of solids: benchmark, reparametrization and machine learning

Pedro Borlido, Jonathan Schmidt, Ahmad W. Huran, Fabien Tran, Miguel A. L. Marques, Silvana Botti:
npj Computational Materials (2020)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85087792880&doi=10.1038%2fs41524-020-00360-0&partnerID=40&md5=7e96c59d69340799a7b8e81b4b170197https://dx.doi.org/10.1038/s41524-020-00360-0
2020
  • article
article2020Tomáš RauchMiguel A. L. MarquesSilvana Botti

Local Modified Becke-Johnson Exchange-Correlation Potential for Interfaces, Surfaces, and Two-Dimensional Materials

Tomáš Rauch, Miguel A. L. Marques, Silvana Botti:
Journal of Chemical Theory and Computation (2020)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85083545073&doi=10.1021%2facs.jctc.9b01147&partnerID=40&md5=3662fcbae8bfd0a0b0bcb624b0d744dahttps://dx.doi.org/10.1021/acs.jctc.9b01147
2020
  • article
article2020Pedro BorlidoAhmad W. HuranMiguel A. L. MarquesSilvana Botti

Novel two-dimensional silicon-carbon binaries by crystal structure prediction

Pedro Borlido, Ahmad W. Huran, Miguel A. L. Marques, Silvana Botti:
Physical Chemistry Chemical Physics (2020)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85084167748&doi=10.1039%2fc9cp06942a&partnerID=40&md5=499bdb5008154a26ca10ed7846eafa20https://dx.doi.org/10.1039/c9cp06942a
2020
  • conference
conference2020M.A.J.V. TilburgA. DijkstraE.M.T. FadalyV.T.V. LangeM.A. VerheijenJ.R. SuckertC. RödlJ. FurthmüllerF. BechstedtS. BottiD. BusseJ.J. FinleyE.P.A.M. BakkersJ.E.M. Haverkort

Towards a Hexagonal SiGe Semiconductor Laser

M.A.J.V. Tilburg, A. Dijkstra, E.M.T. Fadaly, V.T.V. Lange, M.A. Verheijen, J.R. Suckert, C. Rödl, J. Furthmüller, F. Bechstedt, S. Botti, D. Busse, J.J. Finley, E.P.A.M. Bakkers, J.E.M. Haverkort:
Conference Proceedings - Lasers and Electro-Optics Society Annual Meeting-LEOS (2020)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85091640516&partnerID=40&md5=cf7912a0a8bb541aea72dfe8ab854fee
2020
  • conference
conference2020A. DijkstraM.A.J.V. TilburgE.M.T. FadalyV.T.V. LangeM.A. VerheijenJ.R. SuckertC. RödlJ. FurthmüllerF. BechstedtS. BottiD. BusseJ.J. FinleyE.P.A.M. BakkersJ.E.M. Haverkort

Transition Matrix Element and Recombination Mechanism of Hexagonal SiGe

A. Dijkstra, M.A.J.V. Tilburg, E.M.T. Fadaly, V.T.V. Lange, M.A. Verheijen, J.R. Suckert, C. Rödl, J. Furthmüller, F. Bechstedt, S. Botti, D. Busse, J.J. Finley, E.P.A.M. Bakkers, J.E.M. Haverkort:
Conference Proceedings - Lasers and Electro-Optics Society Annual Meeting-LEOS (2020)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85091645233&partnerID=40&md5=9fe10633420c77bb92fe92682ef2320chttps://dx.doi.org/10.1364/CLEO_AT.2020.JW2F.3
2020
  • article
article2020Pedro BorlidoJan DoumontFabien TranMiguel A. L. MarquesSilvana Botti

Validation of Pseudopotential Calculations for the Electronic Band Gap of Solids

Pedro Borlido, Jan Doumont, Fabien Tran, Miguel A. L. Marques, Silvana Botti:
Journal of Chemical Theory and Computation (2020)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85086354998&doi=10.1021%2facs.jctc.0c00214&partnerID=40&md5=ce90a20982dd4feb6d9649becc5c0d14https://dx.doi.org/10.1021/acs.jctc.0c00214
  • 2019
2019
  • article
article2019Claudia RödlJürgen FurthmüllerJens Renè SuckertValerio ArmuzzaFriedhelm BechstedtSilvana Botti

Accurate electronic and optical properties of hexagonal germanium for optoelectronic applications

Claudia Rödl, Jürgen Furthmüller, Jens Renè Suckert, Valerio Armuzza, Friedhelm Bechstedt, Silvana Botti:
Physical Review Materials (2019)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85063009736&doi=10.1103%2fPhysRevMaterials.3.034602&partnerID=40&md5=3748ea4539878232272a46b350aff448https://dx.doi.org/10.1103/PhysRevMaterials.3.034602
2019
  • article
article2019Migle GraužinyteSilvana BottiMiguel A.L. MarquesStefan GoedeckerJosé A. Flores-Livas

Computational acceleration of prospective dopant discovery in cuprous iodide

Migle Graužinyte, Silvana Botti, Miguel A.L. Marques, Stefan Goedecker, José A. Flores-Livas:
Physical Chemistry Chemical Physics (2019)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85072057491&doi=10.1039%2fc9cp02711d&partnerID=40&md5=db05a21af96fb7e2ac58f99676bb6401https://dx.doi.org/10.1039/c9cp02711d
2019
  • article
article2019Hai-Chen WangPaul PistorMiguel A. L. MarquesSilvana Botti

Double perovskites as p-type conducting transparent semiconductors: A high-throughput search

Hai-Chen Wang, Paul Pistor, Miguel A. L. Marques, Silvana Botti:
Journal of Materials Chemistry A (2019)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85067573247&doi=10.1039%2fc9ta01456j&partnerID=40&md5=ceb4c983975cdafa2fb2185973923b52https://dx.doi.org/10.1039/c9ta01456j
2019
  • article
article2019Pedro BorlidoThorsten AullAhmad W. HuranFabien TranMiguel A. L. MarquesSilvana Botti

Large-Scale Benchmark of Exchange-Correlation Functionals for the Determination of Electronic Band Gaps of Solids

Pedro Borlido, Thorsten Aull, Ahmad W. Huran, Fabien Tran, Miguel A. L. Marques, Silvana Botti:
Journal of Chemical Theory and Computation (2019)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85071719297&doi=10.1021%2facs.jctc.9b00322&partnerID=40&md5=13487539512fcc589da75d17c1cf4026https://dx.doi.org/10.1021/acs.jctc.9b00322
2019
  • article
article2019Herman DuimHong-Hua FangSampson AdjokatseGert H. Ten BrinkMiguel A. L. MarquesBart J. KooiGraeme R. BlakeSilvana BottiMaria A. Loi

Mechanism of surface passivation of methylammonium lead tribromide single crystals by benzylamine

Herman Duim, Hong-Hua Fang, Sampson Adjokatse, Gert H. Ten Brink, Miguel A. L. Marques, Bart J. Kooi, Graeme R. Blake, Silvana Botti, Maria A. Loi:
Applied Physics Reviews (2019)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85070109561&doi=10.1063%2f1.5088342&partnerID=40&md5=90744bfdfaa4f54b525aaf0ba92edfa4https://dx.doi.org/10.1063/1.5088342
2019
  • article
article2019Fabien TranJan DoumontPeter BlahaMiguel A.L. MarquesSilvana BottiAlbert P. Bartók

On the calculation of the bandgap of periodic solids with MGGA functionals using the total energy

Fabien Tran, Jan Doumont, Peter Blaha, Miguel A.L. Marques, Silvana Botti, Albert P. Bartók:
Journal of Chemical Physics (2019)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85074543727&doi=10.1063%2f1.5126393&partnerID=40&md5=7cfb85a3ce8d358c159fd115ad8690eehttps://dx.doi.org/10.1063/1.5126393