Chin. Phys. Lett.  2007, Vol. 24 Issue (1): 184-186    DOI:
Original Articles |
Ground State Property of LiV2O4
XU Ying1; ZENG Zhi2
1Department of Physics, Jiangxi Normal University, Nanchang 330022 2Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031
Cite this article:   
XU Ying, ZENG Zhi 2007 Chin. Phys. Lett. 24 184-186
Download: PDF(201KB)  
Export: BibTeX | EndNote | Reference Manager | ProCite | RefWorks
Abstract The spinel structure LiV2O4 is studied by local density approximation (LDA) as well as including strong correlation correction potential, i.e. the LDA+U scheme, which concerns the strongly correlated interaction. With LDA, the orbitals of V 3d and O 2p are well separated so that it presents purely metallic heavy fermion behaviour. The total energy of ferromagnetic phase is slightly lower than that of paramagnetic phase within the LDA approach. This implies that the ferromagnetic instability as a consequence of spin frustrated magnetism can be observed in experiments. The strong correlation interaction by using LDA+U enhances the exchange splitting. The heavy-fermion feature can be derived from the sharp peak around the Fermi level from the density of states.
Keywords: 71.20.-b      71.27.+a     
Published: 01 January 2007
PACS:  71.20.-b (Electron density of states and band structure of crystalline solids)  
  71.27.+a (Strongly correlated electron systems; heavy fermions)  
TRENDMD:   
URL:  
https://cpl.iphy.ac.cn/       OR      https://cpl.iphy.ac.cn/Y2007/V24/I1/0184
Service
E-mail this article
E-mail Alert
RSS
Articles by authors
XU Ying
ZENG Zhi
Related articles from Frontiers Journals
[1] LIU Shan-Yu, ZHANG Wen-Tao, WENG Hong-Ming, ZHAO Lin, LIU Hai-Yun, JIA Xiao-Wen, LIU Guo-Dong, DONG Xiao-Li, ZHANG Jun, MAO Zhi-Qiang, CHEN Chuang-Tian, XU Zu-Yan, DAI Xi, FANG Zhong, ZHOU Xing-Jiang. Effect of Cleaving Temperature on the Surface and Bulk Fermi Surface of Sr2RuO4 Investigated by High Resolution Angle-Resolved Photoemission[J]. Chin. Phys. Lett., 2012, 29(6): 184-186
[2] ZHOU Tie-Ge,LIU Zhi-Qiang**,ZUO Xu. First-Principles Study of Doped Half-Metallic Spinels: Cu0.5Zn0.5Cr2S4, Cu0.5Cd0.5Cr2S4, Li0.5Zn0.5Cr2O4 and Li0.5Zn0.5Cr2S4[J]. Chin. Phys. Lett., 2012, 29(4): 184-186
[3] AO Bing-Yun**, AI Juan-Juan, GAO Tao**, WANG Xiao-Lin, SHI Peng, CHEN Pi-Heng, YE Xiao-Qiu. Metal-Insulator Transition of Plutonium Hydrides: DFT+U Calculations in the FPLAPW Basis[J]. Chin. Phys. Lett., 2012, 29(1): 184-186
[4] SHAO Xi** . Prediction of a Low-Dense BC2N Phase[J]. Chin. Phys. Lett., 2011, 28(5): 184-186
[5] JIA Xiao-Wen, LIU Yan, YU Li, HE Jun-Feng, ZHAO Lin, ZHANG Wen-Tao, LIU Hai-Yun, LIU Guo-Dong, HE Shao-Long, ZHANG Jun, LU Wei, WU Yue, DONG Xiao-Li, SUN Li-Ling, WANG Gui-Ling, ZHU Yong, WANG Xiao-Yang, PENG Qin-Jun, WANG Zhi-Min, ZHANG Shen-Jin, YANG Feng, XU Zu-Yan, CHEN Chuang-Tian, ZHOU Xing-Jiang** . Growth, Characterization and Fermi Surface of Heavy Fermion CeCoIn5 Superconductor[J]. Chin. Phys. Lett., 2011, 28(5): 184-186
[6] WANG Bao-Tian, ZHANG Ping** . Ideal Strengths and Bonding Properties of PuO2 under Tension[J]. Chin. Phys. Lett., 2011, 28(4): 184-186
[7] JIANG Jiu-Xing, **, JIN Shan, WANG Zhen-Hua, TAN Chang-Long . Electronic Structure and Optical Properties of Layered Ternary Carbide Ti3AlC2[J]. Chin. Phys. Lett., 2011, 28(3): 184-186
[8] CHENG Fang, LIU Ting-Yu**, ZHANG Qi-Ren, QIAO Hai-Ling, ZHOU Xiu-Wen . Computer Simulation of the Electronic Structures and Absorption Spectra for a KMgF3 Crystal Containing a Potassium Vacancy[J]. Chin. Phys. Lett., 2011, 28(3): 184-186
[9] BAI Li-Na, LIAN Jian-She**, JIANG Qing . Optical and Electronic Properties of Wurtzite Structure Zn1−xMgxO Alloys[J]. Chin. Phys. Lett., 2011, 28(11): 184-186
[10] WU Xue-Wei, ZHANG Hai-Xin, LIU Xiao-Jun**, ZHANG Xing-Gan** . Optical Properties and Photocatalytic Activity of Marokite-Type CaMn2O4[J]. Chin. Phys. Lett., 2011, 28(10): 184-186
[11] WEI Hong-Yuan, XIONG Xiao-Ling, SONG Hong-Tao, LUO Shun-Zhong. A Density Functional Study of Atomic Carbon Adsorption on δ-Pu(111) Surface[J]. Chin. Phys. Lett., 2010, 27(9): 184-186
[12] ZHAO Lin, ZHANG Wen-Tao, LIU Hai-Yun, MENG Jian-Qiao, LIU Guo-Dong, LU Wei, DONG Xiao-Li, ZHOU Xing-Jiang. High-Quality Large-Sized Single Crystals of Pb-Doped Bi2Sr2CuO6+δ High-Tc Superconductors Grown with Traveling Solvent Floating Zone Method[J]. Chin. Phys. Lett., 2010, 27(8): 184-186
[13] GAO Hui, SUN Xun, LIU Bao-An, XU Ming-Xia, HU Guo-Hang, XU Xin-Guang, ZHAO Xian. Effect of S Substitution for P Point Defects in KDP Crystals: First-Principles Study[J]. Chin. Phys. Lett., 2010, 27(7): 184-186
[14] TANG Chun-Mei, DENG Kai-Ming, CHEN Xuan, XIAO Chuan-Yun, LIU Yu-Zhen, LI Qun-Xiang. Density Functional Calculation of the 0.5ML-Terminated Allyl Mercaptan/Si(100)-(2×1) Surface[J]. Chin. Phys. Lett., 2009, 26(7): 184-186
[15] YUN Jiang-Ni, ZHANG Zhi-Yong, YAN Jun-Feng, ZHANG Fu-Chun. Effect of In-Doping on Electronic Structure and Optical Properties of Sr2TiO4[J]. Chin. Phys. Lett., 2009, 26(6): 184-186
Viewed
Full text


Abstract