Japanese

Tsuneyuki Research Group


Tsuneyuki Group Homepage

 Welcome to the home page of our research group! Our group is headed by Professor Shinji Tsuneyuki. We investigate electronic and structural properties of materials with first-principles calculations.

News & Topics

  • A study by Akashi (Assistant Prof.) and his colleagues was published from The Journal of Chemical Physics. Its preprint was made public in February 8th, 2018. LINK
    2018.6.7
  • A study by Tsujimoto (Ph.D student) was published from Physical Review Materials. Its preprint was made public in May 24th, 2017. LINK
    2018.5.15
  • A study by Akashi (Assistant Prof.) and Nagornov (Postdoc) was published from Jornol of the Physical Society of Japan. Its preprint was made public in March 1st, 2018. LINK
    2018.5.10
  • A study by Naito (Ph.D student) was published from Physical Review C. Its preprint was made public in December 18th, 2017. LINK
    2018.4.24
  • A study by Tanaka (Ph.D student) was published from Applied Physics Express. Its preprint was made public in July 3th, 2017. LINK
    2018.3.2
  • A theoretical study which proposes a method for constructing the exchange-correlation potential, a fundamental element of first principles calculations, through a learning by a neural network has been published as a preprint. This is a collaboration work with undergraduate students, Mr. Nagai and Mr. Sasaki, which has been initiated through an under-graduate program Riron Enshu. LINK
    2018.2.8
  • A review paper about methods for non-perturbative treatment of unharmonic effects of phonon by first-principles calculation has been published. This is a collaboration work of Dr. Tadano (NIMS, alumnus) and Prof. Tsuneyuki, and a method developed mainly in our laboratory is reviewd. LINK
    2018.1.26
  • A collaboration study with a Russian group (Prof. Artem Oganov) has been published in Physical Review B where we performed a comprehensive search for new phases in the H-S system, known to be a high-temperature superconductor under high pressure, and built a refined composition-pressure phase diagram including new structures by using a combination of the evolutionary algorithm and the density functional theory for superconductors. Akashi (Assistant Prof.) and Yoshikawa (Ph.D student) participated in this work. LINK
    2017.12.21
  • Naito (Ph.D student) and his colleagues investigated a contribution of Coulomb interaction to binding energies of several nuclei from 4He to 208Pb by using GGA energy density functionals for electron systems and experimental charge distributions. This work was made public as a preprint. LINK
    2017.12.18
  • Tanaka (Ph.D student) and his colleagues theoretically revealed that the electronic entropy enhances the laser ablation process of metals. This work was made public as a preprint. LINK
    2017.7.3
  • The study by Akashi (Assistant Prof.) and colleagues, that proposes an universal mechanism for the formation of flat bands in crystals induced by interplay of the stacking pattern and interference of Bloch phase, was published from Physical Review B. LINK
    2017.6.2
  • Tsujimoto (Ph.D student) and his colleagues developed an efficient method to search atomic structures of huge systems, by including experimental X-ray diffraction datas into the cost function. This work was made public as a preprint. LINK
    2017.5.24
  • The study by Katow (Ph.D student) and colleagues was published from Physical Review B. Its preprint was made public in Sep. 9th, 2016. LINK
    2017.3.29
  • The study by Kitatani (Ph.D student) and colleagues was published from Physical Review B. A preprint was made public in Sep. 19th, 2016. LINK
    2017.2.3
  • The study of Yamada (Ph.D student) and his colleagues, which was in public as a preprint in Nov. 19th, 2016, was published from Physical Review B. LINK
    2017.1.5
  • Yamada (Ph.D student) and his colleagues developed an efficient post-processing method for calculating the electronic structure of nanosystems based on the divide-and-conquer approach to density functional theory (DC-DFT). A preprint of their work was posted on the arXive. LINK
    2016.11.19
  • Sato (Ph.D student) and Tsuneyuki (prof.) investigated the electronic structure of unsinthesized perovskite-type oxyhydride KTiO2H using first-principles calculations, and revealed two-dimensional property and high polarization of KTiO2H. Their work was published from Applied Physical Letters. LINK
    2016.10.26
  • Kawamura (Ph.D. alumnus) and his colleagues revealed the origin of highly anisotropic superconducting gap of YNi2B2C based on the density functional theory for superconductors. This work is based on his study of doctoral thesis. A preprint of their work was posted on the arXive. LINK
    2016.10.24
  • Kitatani (Ph.D student) and his colleagues studied interplay of Pomeranchuk instability and d-wave supercunductivity for the repulsive Hubbard model on the square lattice. A preprint of their work was posted on the arXive. LINK
    2016.9.19
  • Katow (Ph.D student) and his colleagues theoretically investigeted the stability of excitonic many-body bound states in diamond, and a preprint of their work was posted on the arXive. LINK
    2016.9.9
  • Akashi (assistant prof.) and his colleagues revealed the new crystal structure of sulfur hydride called "Magnéli phase" by ab-initio calculation. Their work was published from Physical Review Letters. LINK  
    2016.8.10
  • A joint group of theorists and experimentalists investigated the electronic structure of Fe thin layer grown on the Cu(001) surface, and their work has been published from Physical Review B. Tatetsu(Postdoc) in our lab. participated in this study on the theoretical part. LINK
    2016.7.29
  • News&Topics was newly made.
    2016.7.29