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Journal : journal online of physics

STUDY OF DOS (DENSITY OF STATE) OF HALIDE PEROVSKITES CH3NH3PbI3 USING TROTTER-SUZUKI TIME PROPAGATION METHOD Perdana, Teguh Iman; Sholihun, Sholihun; Santoso, Imam
JOURNAL ONLINE OF PHYSICS Vol. 10 No. 2 (2025): JOP (Journal Online of Physics) Vol 10 No 2
Publisher : Prodi Fisika FST UNJA

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22437/jop.v10i2.41224

Abstract

This study investigates the electronic properties of CH₃NH₃PbI₃ using the tight-binding time propagation method (TB-TPM) combined with the Trotter-Suzuki decomposition. The research focuses on computing the density of states (DOS) for various system sizes and time step parameters, employing a real-space approach to model the electronic structures of the material. Considering only the s-orbitals of Pb and I atoms reduces the computational complexity, enabling efficient simulations. The results indicate a metallic behavior, deviating from the expected semiconducting properties reported in prior studies due to the exclusion of critical p-orbital interactions. The study also highlights the effect of timestep size on the accuracy of the correlation functions and DOS, emphasizing the need for smaller timesteps to resolve spectral features effectively.
Co-Authors A.A. Ketut Agung Cahyawan W Abdul Haris Abdul Mukti Soma Abdul Rahim Abdulah, Budiman Achmad Misbah Adhim, Muhammad Fauzul Afifah, Yunika Nisa Aghus Sofwan Agustina, Chintya Rizki Ahda Mulyati Ahmad Dhiyaul Haq Ainur Rofiq Aji, Ambyah Atas Ajub Ajulian Zahra Macrina Akhsan, Muh Al Azhari, Muhammad Fuady Ali Djamhuri Ali, Toni Saidun Amelia Syarfina Qisthi Amin Yusuf Andreastika, Kristantiya Andri Wardita Anggraini, Putri Nur Ardaneswari Dyah Pitaloka Citraresmi Arif Hidayat Arif Julianto Sri Nugroho, Arif Julianto Sri Arifin Arifin Arul, Ramli Arul, Ramli Asmaul Mustaniroh, Siti Atmaka, Sri Dharma Cyntya Aunur Rofiq Mulyarto Azhari, Sri Rahayu Indah Azzahro, Mawaddah Baharuddin Baharuddin Basamekha, Shuhd Khaled Hood Choirun, Annisa Choirun, Annisa'u Choirun, Annisa’u Cicik Fauziya Dany Nugroho Saputro Darwis, Hidayat Dewa Putu Yohanes Agata L. Sandopart Dewi Liesnoor Setyowati Dhita Morita Ikasari Dodyk Pranowo Effendi, Mas’ud Endah Rahayu, Endah Erminawati Erminawati erminawati Erminawati Erminawati Etty Carolina Fabianus Marintis Faesal, Abiq Muhammad Farida, Siska Nifro'atul Farida, Siska Nifroatul Fatma Lestari Febrianti, Wenty Febrianty, Ersha Firmansyah , Hadi Fountain, Michael Jeremy Fuad Achmadi G. Gunawan Ghofir, Ade Grace Karlina Permatasari Hadi Firmansyah, Hadi Hadi Suyono Hamzah, Abdulah Nur Hastuti, Nur Windhi Helmi, M. Nurman Hersulastuti, Hersulastuti Hidayat, Ditya Pramesti I Gusti Bagus Wiksuana Ibrahim, Luckman Ika Atsari Dewi Irfa'i, Muhammad Irfansyah, Dicki Irwansyah Irwansyah Isnawati Isnawati Isnawati, Isnawati Jaja Suteja Jamaludin, Maun Jarot Prasetyo Juarsa, Juarsa Juliani, Ridha Karbito Karbito, Karbito Karouw, Barthe Kaunang, Sandra DE Kaunang, Sandra Dewi Elizabet Khafizh Rosyidi Kumara Hadi, Danang Kurnia, Tata Lu'ayya, Naila Maulidina Lu’ayya, Naila Maulidina M. Amir Salipu Maftuchah Maftuchah Maharani Pertiwi Koentjoro Maharani, Haqia Sekar Mahroji, Dwi Makbul, Agung Mangku Purnomo Maulana Kamal Miftahurrahmah, Aisyah Miftahus Saadah, Miftahus Miswanto, Miswanto Moch. Rizal Moh. Sidik Priadana Mohammad Bisri Muchlis Muchlis Muflihah Ramadhia Muhammad Imam Dani Putra Muhammad Wildan Aula Sabiq Mulyanti, Rita Yuni Murjito, Winarno Heru Nana Mulyana Nanang Suryadi Nasrullah Nasrullah Nety, Nety Nopianti, Putri Riski Noraida Nurkholipah, Siti Nurmaningtyas, Anggia Riani Nursam, Natalita Maulani NurSiaga, Rahmat Padilah, Sri Panji Deoranto Perdana, Adeev Nidya Perdana, Teguh Iman Prameswari, Puspa Ayu Indah Pranowo, Taufik Agung Pratiwi, Larang Priswanto, Raden Faqih Fadlurrahman Priyanto, Agustinus Sugeng Pujiawati, Lilis Purwadi Purwadi Putra, Bogananta Pratama Putri, Rizka Aidina Quiko, Alfonso Sabatani R. Rizal Isnanto Raden Muh. Sultoni Rahima, Desiree Rain Rahmawati Rahmawati, Rahmawati Rahwamati, Rahwamati Ramdany, Ramdany Retnaningsih, Lilis Retno Astuti Rheysa Permata Sari Riska Septifani Rizaldy, M. Asmi Rizky Lutfian Ramadhan Silalahi, Rizky Lutfian Ramadhan Rodjani, Ines Hadianesti Roesmasari, Rindha Ayu Rusdiana Setyaningtyas Ruseno, Ndaru Saidun Ali, Toni Sari, Eva Novita Sa’adah, Miftahus Setianingtyas, Anna Febrianty Shobih Shobih Sholihun, Sholihun Sinaga, Adello Togario Siti Asmaul Mustaniroh Siti Asmaul, Siti Siti Handayani Siti Narsito Wulan Slamet Priyono Sri Harti Widyastuti Sri Kumalaningsih Sucipto Sucipto Sudirman, M. Iman Suhana Suhana Sukiswo Sukiswo Sukma Maharani Sulaiman Hamzani Supriatiningsih, Supriatiningsih Supriatininingsih, Supriatiningsih Suranto, Much Suryaningsih, Fina Suryaningsih, Maria Susanto, Sigit SUSILAWATI, SUSI Susinggih Wijana Suwito Eko Pramono Syarifudin Syarifudin Syoni Soepriyanto Tania, Vika Taufiq Hidayat Teguh Dwi Prihartono Tirtasari, Maidaturrizky Tuakia, Miftah Zaini Usman Andrianto Usman Effendi Veithzal Rivai Zainal Viarawangi, Fani Maria Wafi'uddin, Izzum Wafi’uddin, Izzum Wahyul Amien Syafei Wahyuliana, Eka Wahyuni, Ayu Sri Wati, Lela Nurlaela Wayan Firdaus Mahmudy Widianto, Eri Widya Hari Pratiwi Wike Agustin Prima Dania Winanda, Dian Septyani Wulandari, Mey Yani, Achmad Yeni Yuliasia Yuli Christiyono Yustiani, Evira Bella Yustio, Diaz Yusuf Wibisono Yusuf Wijanarko Zebua, Mercyana Trianne