Optical Conductivity and Electronic Structure of CeRu₄Sb₁₂ under High PressureOKAMURA, Hidekazu; KITAMURA, Ryosuke; MATSUNAMI, Masaharu et al.Journal of the Physical Society of Japan. 2011, Vol 80, Num 8, issn 0031-9015, 084718.1-084718.9Article

Band structure and optical spectra of RbNH₄SO₄ crystalsANDRIYEVSKY, B; CIEPLUCH-TROJANEK, W; STADNYK, V et al.The Journal of physics and chemistry of solids. 2007, Vol 68, Num 10, pp 1892-1896, issn 0022-3697, 5 p.Article

First-principles study on electronic structure and absorption spectra for the CaWO₄ crystal with oxygen vacancyZEXU SHAO; QIREN ZHANG; TINGYU LIU et al.Computational materials science. 2008, Vol 43, Num 4, pp 1018-1021, issn 0927-0256, 4 p.Article

Infrared and Raman spectra and the band structure of yttrium trifluoride YF₃VALI, R.Computational materials science. 2011, Vol 50, Num 8, pp 2391-2396, issn 0927-0256, 6 p.Article

Electronic structures and mechanical properties of iron borides from first principlesYANPENG GOU; ZHAO FU; YONGCHENG LIANG et al.Solid state communications. 2014, Vol 187, pp 28-32, issn 0038-1098, 5 p.Article

First-principles investigations of electronic and mechanical properties for stable Ge₂Sb₂Te₅ with van der Waals correctionsSA, Baisheng; JIAN ZHOU; AHUJA, Rajeev et al.Computational materials science. 2014, Vol 82, pp 66-69, issn 0927-0256, 4 p.Article

Synthesis, structure, and characterization of a new rubidium cadmium borate: RbCdB₃O₆ANQING JIAO; HONGPING WU; SHILIE PAN et al.Journal of alloys and compounds. 2014, Vol 588, pp 514-518, issn 0925-8388, 5 p.Article

Electronic structure of cage-like compound UB₁₂ ― Theory and XPS experimentSAMSEL-CZEKALA, M; TALIK, E; TROC, R et al.Journal of alloys and compounds. 2014, Vol 615, pp 446-450, issn 0925-8388, 5 p.Article

First principles investigation of the effects of Bi vacancy on the magnetic, conductive and electrochemical properties of BiF₃ZHENHUA YANG; YONG PEI; XIANYOU WANG et al.Computational materials science. 2013, Vol 68, pp 117-120, issn 0927-0256, 4 p.Article

Half-metallic ferromagnetism in wurtzite and rocksalt TiTe: A density functional theory studyMORADI, M; ROSTAMI, M; AFSHARI, M et al.Computational materials science. 2013, Vol 69, pp 278-283, issn 0927-0256, 6 p.Article

Electronic and mechanical properties of Cr₂GeC with hybrid functional and correlation effectsRAMZAN, M; LEBEGUE, S; AHUJA, R et al.Solid state communications. 2012, Vol 152, Num 13, pp 1147-1149, issn 0038-1098, 3 p.Article

First principles study on electronic properties and occupancy sites of molybdenum doped into LiFeP0₄YAN WANG; FENG, Zhe-Sheng; CHEN, Jin-Ju et al.Solid state communications. 2012, Vol 152, Num 16, pp 1577-1580, issn 0038-1098, 4 p.Article

High-temperature Raman spectra of KDP:Ni crystalPEREIRA, Daniel P; DE OLIVEIRA, Paulo C; REMEDIOS, Claudio M. R et al.Solid state communications. 2012, Vol 152, Num 12, pp 1023-1026, issn 0038-1098, 4 p.Article

Maximally localized Wannier functions in LaMnO₃ within PBE + U, hybrid functionals and partially self-consistent GW: an efficient route to construct ab initio tight-binding parameters for eg perovskitesFRANCHINI, C; KOVACIK, R; MARSMAN, M et al.Journal of physics. Condensed matter (Print). 2012, Vol 24, Num 23, issn 0953-8984, 235602.1-235602.17Article

Unoccupied electronic structure of TiOCl studied using x-ray absorption near-edge spectroscopyGLAWION, S; HAVERKORT, M. W; BERNER, G et al.Journal of physics. Condensed matter (Print). 2012, Vol 24, Num 25, issn 0953-8984, 255602.1-255602.8Article

Cobalt suppressed Jahn-Teller effect in LiCo_0.5Ni_0.5O₂ for lithium ion batteriesWANG, J. M; HU, J. P; OUYANG, C. Y et al.Solid state communications. 2011, Vol 151, Num 3, pp 234-237, issn 0038-1098, 4 p.Article

Effect of hydrogen-doping on bonding properties of Ti₃SiC₂OU, X. D; WANG, Y. X; SHI, L. Q et al.Physica. B, Condensed matter. 2011, Vol 406, Num 23, pp 4460-4465, issn 0921-4526, 6 p.Article

Electronic structure of Bi_1-xPb_xFeO₃ from photoelectron spectroscopic studiesKUNDU, R; MISHRA, P; SEKHAR, B. R et al.Solid state communications. 2011, Vol 151, Num 3, pp 256-258, issn 0038-1098, 3 p.Article

First-principle study of the effects of Nb and Ti doping on the dehydrogenation properties of Ca(BH₄)₂ZONGGUO WANG; QUN HUI; CHUILIN WANG et al.Computational materials science. 2011, Vol 50, Num 11, pp 3114-3118, issn 0927-0256, 5 p.Article

High-pressure structural and electronic behaviors of superhard BC₅: Density functional calculationsZHANG, Ji-Dong; CHENG, Xin-Lu.Computational materials science. 2011, Vol 50, Num 7, pp 2249-2252, issn 0927-0256, 4 p.Article

Conduction-Band Tailing of Ce-Doped TiO₂ Visible-Light-Driven Photocatalyst: The Essential Role of Oxygen VacancySHI WEI CHEN; LEE, Jenn Min; CHIANG, Sunny et al.Journal of the Physical Society of Japan. 2011, Vol 80, Num 11, issn 0031-9015, 114706.1-114706.6Article

Electronic structure and energetics of tetragonal SrCuO₂ and its high-pressure superstructure phaseJIANWEI WANG; RAK, Zsolt; FUXIANG ZHANG et al.Journal of physics. Condensed matter (Print). 2011, Vol 23, Num 46, issn 0953-8984, 465503.1-465503.6Article

Cs₂XF₆ (X = Si, Ge) compounds: Common and different features as uncovered by the first-principles calculationsBRIK, M. G.Solid state communications. 2010, Vol 150, Num 33-34, pp 1529-1533, issn 0038-1098, 5 p.Article

Effects of disorder in FeSe: an ab initio studySINGH, Prabhakar P.Journal of physics. Condensed matter (Print). 2010, Vol 22, Num 13, issn 0953-8984, 135501.1-135501.12Article

Far-infrared spectra for copper―zinc mixed ferritesZAKI, H. M; DAWOUD, H. A.Physica. B, Condensed matter. 2010, Vol 405, Num 21, pp 4476-4479, issn 0921-4526, 4 p.Article