Masayoshi Seike, Tetsuya Fukushima, Kazunori Sato, Hiroshi Katayama-Yoshida, “Computational materials design of defect-induced ferrimagnetic MnO”, J. Phys.: Condens. Matter, 26:10 (2014), 104205
Shengjie Dong, Xiao-Sheng Song, Hui Zhao, “Can binary sp half-metallic ferromagnets maintain half-metallicity when they form superlattices? A first-principles approach”, Physics Letters A, 2014
Yuzhi Zhou, E. E. Haller, D. C. Chrzan, “Theoretical Prediction of Magnetism in C-doped TlBr”, Phys. Rev. B, 89:19 (2014)
Shengjie Dong, Hui Zhao, “Magnetism driven by non-metal interstitials from first-principles prediction: The case of hydrogen- and fluorine-doped calcium monoxide with rock-salt structure”, Solid State Communications, 2014
Hui Zhao, Shengjie Dong, Yan Song, “First-principles Studies on Electronic and Magnetic Properties of I A –III A and I A –IV A Compounds with Zinc-Blende and Wurtzite Structures”, J Supercond Nov Magn, 2014
I. R. Shein, A. L. Ivanovskii, “Ab initio Probing of Magnetic and Electronic Properties of Monoclinic ε-WO3 Doped with 3d Transition Metals Within GGA and GGA+U”, J Supercond Nov Magn, 2013
Masayoshi Seike, Tetsuya Fukushima, Kazunori Sato, Hiroshi Katayama-Yoshida, “Design of self-organized nanostructures to achieve high blocking temperatures in MgO-based d 0 ferromagnets”, Journal of the Korean Physical Society, 62:12 (2013), 1807
I. R. Shein, A. L. Ivanovskii, “Effect of fluorine, nitrogen, and carbon impurities on the electronic and magnetic properties of WO3”, Semiconductors, 47:6 (2013), 740
I.R. Shein, A.L. Ivanovskii, “Elastic, electronic properties and intra-atomic bonding in orthorhombic and tetragonal polymorphs of BaZn2As2 from first-principles calculations”, Journal of Alloys and Compounds, 2013
I. R. Shein, A. N. Enyashin, A. L. Ivanovskii, “Structural, electronic, mechanical, and magnetic properties and relative stability of polymorphic modifications of ReN2 from Ab initio calculation data”, Phys. Solid State, 55:9 (2013), 1821
Shengjie Dong, Hui Zhao, “Pressure-induced sp ferromagnetism in electride-like elemental potassium from first-principles”, Phys. Status Solidi B, 2013, n/a
V. V. Bannikov, A. L. Ivanovskii, “Electronic and magnetic properties of new 2D diluted magnetic semiconductor La$_{1-x}$Ba$_x$Zn$_{1-x}$Mn$_x$AsO from first-principles calculations”, Письма в ЖЭТФ, 98:7 (2013), 448–451 ; JETP Letters, 98:7 (2013), 393–396
V. V. Bannikov, I. R. Shein, A. L. Ivanovskii, “Impurity-Induced Magnetization of Layered Semiconductor LaCuSeO as Predicted from First-Principles Calculations”, J Supercond Nov Magn, 25:5 (2012), 1509–1513
Shengjie Dong, Hui Zhao, “Effect of electron and hole doping on magnetic properties of zinc-blende SrC and BaC from first principles”, Journal of Magnetism and Magnetic Materials, 324:16 (2012), 2588–2592
I. R. Shein, A. L. Ivanovskii, “Ab initio probing of the electronic band structure and Fermi surface of fluorine-doped WO$_3$ as a novel low-$T_C$ superconductor”, Письма в ЖЭТФ, 95:2 (2012), 72–75 ; JETP Letters, 95:2 (2012), 66–69
Qing-Sheng Shao, Hui Zhao, “First-Principles Studies on Magnetic Stability of SrC and BaC in Rocksalt, Zincblende, and Nickel Arsenide Phases Under Pressure”, J Supercond Nov Magn, 25:6 (2012), 2063–2067
Nabanita Saikia, Ramesh C. Deka, “First principles study on the boron–nitrogen domains segregated within (5,5) and (8,0) single-wall carbon nanotubes: Formation energy, electronic structure and reactivity”, Computational and Theoretical Chemistry, 996 (2012), 11–20
Sanjeev Nayak, Markus Gruner, Sung Sakong, Shreekantha Sil, Peter Kratzer, Surjyo Behera, Peter Entel, “Anisotropic ferromagnetism in carbon-doped zinc oxide from first-principles studies”, Phys. Rev. B, 86:5 (2012)
S. Mathew, K. Gopinadhan, T. K. Chan, X. J. Yu, D. Zhan, L. Cao, A. Rusydi, M. B. H. Breese, S. Dhar, Z. X. Shen, T. Venkatesan, John T. L. Thong, “Magnetism in MoS2 induced by proton irradiation”, Appl. Phys. Lett, 101:10 (2012), 102103
V. V. Bannikov, A. L. Ivanovskii, “Semiconductor-metal and semiconductor-magnetic half-metal phase transitions in layered SrAgSeF phases doped with oxygen and nitrogen”, Tech. Phys. Lett, 38:11 (2012), 1037