Infrared-active optical phonons in LiFePO4 single crystals

Stanislavchuk, T. N.; Middlemiss, D. S.; Syzdek, J. S.; Janssen, Y.; Basistyy, R.; Sirenko, A. A.; Khalifah, P. G.; Grey, C. P.; Kostecki, R.

doi:10.1063/1.4995282

Title: Infrared-active optical phonons in LiFePO₄ single crystals

Abstract

Infrared-active optical phonons were studied in olivine LiFePO oriented single crystals by means of both rotating analyzer and rotating compensator spectroscopic ellipsometry in the spectral range between 50 and 1400 cm . The eigenfrequencies, oscillator strengths, and broadenings of the phonon modes were determined from fits of the anisotropic harmonic oscillator model to the data. Optical phonons in a heterosite FePO crystal were measured from the delithiated ab-surface of the LiFePO crystal and compared with the phonon modes of the latter. Good agreement was found between experimental data and the results of solid-state hybrid density functional theory calculations for the phonon modes in both LiFePO and FePO . 4 4 4 4 4 -1

Authors:

Stanislavchuk, T. N. ^[1]; Middlemiss, D. S. ^[2]; Syzdek, J. S. ^[3]; Janssen, Y. ^[4]; Basistyy, R. ^[1]; Sirenko, A. A. ^[1]; Khalifah, P. G. ^[5]; Grey, C. P. ^[6]; Kostecki, R. ^[3]

New Jersey Inst. of Technology, Newark, NJ (United States)
Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, United Kingdom
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Stony Brook Univ., NY (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States); Stony Brook Univ., NY (United States)
Univ. of Cambridge (United Kingdom)

Publication Date:: Fri Jul 28 00:00:00 EDT 2017

Research Org.:: Brookhaven National Laboratory (BNL), Upton, NY (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1425022

Alternate Identifier(s):: OSTI ID: 1372950; OSTI ID: 1772905

Report Number(s):: BNL-200004-2018-JAAM
Journal ID: ISSN 0021-8979; TRN: US1802004

Grant/Contract Number:: SC0012704; AC02-05CH11231; AC02-98CH10886; FG02-07ER46382; SC0001294

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Applied Physics

Additional Journal Information:: Journal Volume: 122; Journal Issue: 4; Journal ID: ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY

Citation Formats


                    Stanislavchuk, T. N., Middlemiss, D. S., Syzdek, J. S., Janssen, Y., Basistyy, R., Sirenko, A. A., Khalifah, P. G., Grey, C. P., and Kostecki, R. Infrared-active optical phonons in LiFePO4 single crystals.  United States: N. p., 2017. 
Web.  doi:10.1063/1.4995282.

Copy to clipboard


                    Stanislavchuk, T. N., Middlemiss, D. S., Syzdek, J. S., Janssen, Y., Basistyy, R., Sirenko, A. A., Khalifah, P. G., Grey, C. P., & Kostecki, R. Infrared-active optical phonons in LiFePO4 single crystals.  United States.  https://doi.org/10.1063/1.4995282

Copy to clipboard


                    Stanislavchuk, T. N., Middlemiss, D. S., Syzdek, J. S., Janssen, Y., Basistyy, R., Sirenko, A. A., Khalifah, P. G., Grey, C. P., and Kostecki, R. Fri .  
"Infrared-active optical phonons in LiFePO4 single crystals".  United States.  https://doi.org/10.1063/1.4995282.  https://www.osti.gov/servlets/purl/1425022.

Copy to clipboard


                    
@article{osti_1425022,

  title        = {Infrared-active optical phonons in LiFePO4 single crystals},

  author       = {Stanislavchuk, T. N. and Middlemiss, D. S. and Syzdek, J. S. and Janssen, Y. and Basistyy, R. and Sirenko, A. A. and Khalifah, P. G. and Grey, C. P. and Kostecki, R.},

  abstractNote = {Infrared-active optical phonons were studied in olivine LiFePO oriented single crystals by means of both rotating analyzer and rotating compensator spectroscopic ellipsometry in the spectral range between 50 and 1400 cm . The eigenfrequencies, oscillator strengths, and broadenings of the phonon modes were determined from fits of the anisotropic harmonic oscillator model to the data. Optical phonons in a heterosite FePO crystal were measured from the delithiated ab-surface of the LiFePO crystal and compared with the phonon modes of the latter. Good agreement was found between experimental data and the results of solid-state hybrid density functional theory calculations for the phonon modes in both LiFePO and FePO . 4 4 4 4 4 -1},

  doi          = {10.1063/1.4995282},

  journal      = {Journal of Applied Physics},

  number       = 4,

  volume       = 122,

  place        = {United States},

  year         = {Fri Jul 28 00:00:00 EDT 2017},

  month        = {Fri Jul 28 00:00:00 EDT 2017}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (Publisher)

Accepted Manuscript (DOE)

Publisher's Version of Record

https://doi.org/10.1063/1.4995282

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 4 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Works referenced in this record:

Optimized LiFePO[sub 4] for Lithium Battery Cathodes
journal, January 2001

Yamada, A.; Chung, S. C.; Hinokuma, K.
Journal of The Electrochemical Society, Vol. 148, Issue 3
DOI: 10.1149/1.1348257

Density‐functional thermochemistry. III. The role of exact exchange
journal, April 1993

Becke, Axel D.
The Journal of Chemical Physics, Vol. 98, Issue 7, p. 5648-5652
DOI: 10.1063/1.464913

Phonon calculation on olivine-like LiMPO4 (M = Ni, Co, Fe) and Raman scattering of the iron-containing compound
journal, January 2005

Paraguassu, W.; Freire, P. T. C.; Lemos, V.
Journal of Raman Spectroscopy, Vol. 36, Issue 3
DOI: 10.1002/jrs.1278

Raman and FTIR Spectroscopic Study of Li[sub x]FePO[sub 4] (0≤x≤1)
journal, January 2004

Burba, Christopher M.; Frech, Roger
Journal of The Electrochemical Society, Vol. 151, Issue 7
DOI: 10.1149/1.1756885

Issues and challenges facing rechargeable lithium batteries
journal, November 2001

Tarascon, J.-M.; Armand, M.
Nature, Vol. 414, Issue 6861, p. 359-367
DOI: 10.1038/35104644

Vibrational studies of olivine-type compounds—II Orthophosphates, -arsenates and -vanadates AIBIIXVO4
journal, March 1974

Paques-Ledent, M. Th.; Tarte, P.
Spectrochimica Acta Part A: Molecular Spectroscopy, Vol. 30, Issue 3
DOI: 10.1016/0584-8539(74)80190-X

Reciprocal Salt Flux Growth of LiFePO ₄ Single Crystals with Controlled Defect Concentrations
journal, November 2013

Janssen, Yuri; Santhanagopalan, Dhamodaran; Qian, Danna
Chemistry of Materials, Vol. 25, Issue 22
DOI: 10.1021/cm4027682

Calculation of the vibration frequencies of ?-quartz: The effect of Hamiltonian and basis set
journal, January 2004

Zicovich-Wilson, C. M.; Pascale, F.; Roetti, C.
Journal of Computational Chemistry, Vol. 25, Issue 15
DOI: 10.1002/jcc.20120

Nondilute diffusion from first principles: Li diffusion in ${Li}_{x} {TiS}_{2}$
journal, September 2008

Van der Ven, Anton; Thomas, John C.; Xu, Qingchuan
Physical Review B, Vol. 78, Issue 10
DOI: 10.1103/PhysRevB.78.104306

Lattice dynamics, thermodynamics, and bonding strength of lithium-ion battery materials LiMPO ₄ (M = Mn, Fe, Co, and Ni): a comparative first-principles study
journal, January 2012

Shang, S. L.; Wang, Y.; Mei, Z. G.
J. Mater. Chem., Vol. 22, Issue 3
DOI: 10.1039/C1JM13547C

Synchrotron radiation-based far-infrared spectroscopic ellipsometer with full Mueller-matrix capability
journal, February 2013

Stanislavchuk, T. N.; Kang, T. D.; Rogers, P. D.
Review of Scientific Instruments, Vol. 84, Issue 2
DOI: 10.1063/1.4789495

Magnetic Structures of the Triphylite LiFePO ₄ and of Its Delithiated Form FePO ₄
journal, October 2003

Rousse, G.; Rodriguez-Carvajal, J.; Patoux, S.
Chemistry of Materials, Vol. 15, Issue 21
DOI: 10.1021/cm0300462

IR Near-Field Spectroscopy and Imaging of Single Li _x FePO ₄ Microcrystals
journal, December 2014

Lucas, I. T.; McLeod, A. S.; Syzdek, J. S.
Nano Letters, Vol. 15, Issue 1
DOI: 10.1021/nl5010898

In situ Raman spectroscopy of LiFePO ₄ : size and morphology dependence during charge and self-discharge
journal, September 2013

Wu, Jing; Dathar, Gopi Krishna Phani; Sun, Chunwen
Nanotechnology, Vol. 24, Issue 42
DOI: 10.1088/0957-4484/24/42/424009

Electron Microscopy Study of the LiFePO[sub 4] to FePO[sub 4] Phase Transition
journal, January 2006

Chen, Guoying; Song, Xiangyun; Richardson, Thomas J.
Electrochemical and Solid-State Letters, Vol. 9, Issue 6
DOI: 10.1149/1.2192695

Kinetics of non-equilibrium lithium incorporation in LiFePO4
journal, July 2011

Malik, Rahul; Zhou, Fei; Ceder, G.
Nature Materials, Vol. 10, Issue 8
DOI: 10.1038/nmat3065

Lithium deintercalation in LiFePO4 nanoparticles via a domino-cascade model
journal, July 2008

Delmas, C.; Maccario, M.; Croguennec, L.
Nature Materials, Vol. 7, Issue 8
DOI: 10.1038/nmat2230

Rotatable broadband retarders for far-infrared spectroscopic ellipsometry
journal, February 2011

Kang, T. D.; Standard, E.; Carr, G. L.
Thin Solid Films, Vol. 519, Issue 9
DOI: 10.1016/j.tsf.2010.12.057

Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr
journal, May 1989

Miehlich, Burkhard; Savin, Andreas; Stoll, Hermann
Chemical Physics Letters, Vol. 157, Issue 3
DOI: 10.1016/0009-2614(89)87234-3

Approaching Theoretical Capacity of LiFePO[sub 4] at Room Temperature at High Rates
journal, January 2001

Huang, H.; Yin, S. -C.; Nazar, L. F.
Electrochemical and Solid-State Letters, Vol. 4, Issue 10
DOI: 10.1149/1.1396695

The calculation of the vibrational frequencies of crystalline compounds and its implementation in the CRYSTAL code: Crystalline Compounds and the CRYSTAL Code
journal, March 2004

Pascale, F.; Zicovich-Wilson, C. M.; López Gejo, F.
Journal of Computational Chemistry, Vol. 25, Issue 6
DOI: 10.1002/jcc.20019

Positive Electrode Materials for Li-Ion and Li-Batteries ^†
journal, February 2010

Ellis, Brian L.; Lee, Kyu Tae; Nazar, Linda F.
Chemistry of Materials, Vol. 22, Issue 3
DOI: 10.1021/cm902696j

First-principles study of lattice dynamics of LiFePO4
journal, October 2009

Shi, Siqi; Zhang, Hua; Ke, Xuezhi
Physics Letters A, Vol. 373, Issue 44
DOI: 10.1016/j.physleta.2009.09.014

Study of the LiFePO ₄ /FePO ₄ Two-Phase System by High-Resolution Electron Energy Loss Spectroscopy
journal, November 2006

Laffont, L.; Delacourt, C.; Gibot, P.
Chemistry of Materials, Vol. 18, Issue 23
DOI: 10.1021/cm0617182

CRYSTAL: a computational tool for the ab initio study of the electronic properties of crystals
journal, January 2005

Dovesi, Roberto; Orlando, Roberto; Civalleri, Bartolomeo
Zeitschrift für Kristallographie - Crystalline Materials, Vol. 220, Issue 5/6
DOI: 10.1524/zkri.220.5.571.65065

Spectroscopic Ellipsometry
book, January 2007

Fujiwara, Hiroyuki
DOI: 10.1002/9780470060193

Phonons, lithium diffusion and thermodynamics of LiMPO ₄ (M = Mn, Fe)
journal, January 2014

Goel, Prabhatasree; Gupta, M. K.; Mittal, R.
J. Mater. Chem. A, Vol. 2, Issue 35
DOI: 10.1039/C4TA01291G

Mueller matrices for anisotropic metamaterials generated using 4×4 matrix formalism
journal, February 2011

Rogers, P. D.; Kang, T. D.; Zhou, T.
Thin Solid Films, Vol. 519, Issue 9
DOI: 10.1016/j.tsf.2010.12.066

Phospho-olivines as Positive-Electrode Materials for Rechargeable Lithium Batteries
journal, April 1997

Padhi, A. K.
Journal of The Electrochemical Society, Vol. 144, Issue 4, p. 1188-1194
DOI: 10.1149/1.1837571

Ultimate Limits to Intercalation Reactions for Lithium Batteries
journal, October 2014

Whittingham, M. Stanley
Chemical Reviews, Vol. 114, Issue 23
DOI: 10.1021/cr5003003

Antiferromagnetism in LiFePO4
journal, March 1967

Santoro, R. P.; Newnham, R. E.
Acta Crystallographica, Vol. 22, Issue 3
DOI: 10.1107/S0365110X67000672

A general method to obtain well localized Wannier functions for composite energy bands in linear combination of atomic orbital periodic calculations
journal, December 2001

Zicovich-Wilson, Claudio M.; Dovesi, Roberto; Saunders, Victor R.
The Journal of Chemical Physics, Vol. 115, Issue 21
DOI: 10.1063/1.1415745

Thermal Stability of LiFePO[sub 4]-Based Cathodes
journal, January 1999

Andersson, Anna S.
Electrochemical and Solid-State Letters, Vol. 3, Issue 2
DOI: 10.1149/1.1390960

Works referencing / citing this record:

Properties of negative thermal expansion β -eucryptite ceramics prepared by spark plasma sintering
journal, September 2018

Zhao, Li-Min; Cheng, Yong-Guang; Hao, Hao-Shan
Chinese Physics B, Vol. 27, Issue 9
DOI: 10.1088/1674-1056/27/9/096501

Similar Records in DOE PAGES and OSTI.GOV collections:

Determination of the Lamb-Moessbauer factors of LiFePO{sub 4} and FePO{sub 4} for electrochemical in situ and operando measurements in Li-ion batteries

Journal Article Aldon, L ; Perea, A ; Womes, M ; ... - Journal of Solid State Chemistry

{sup 57}Fe Moessbauer spectroscopy is a powerful tool to investigate redox reactions during in electrochemical lithium insertion/extraction processes. Electrochemical oxidation of LiFe{sup II}PO{sub 4} (triphylite) in Li-ion batteries results in Fe{sup III}PO{sub 4} (heterosite). LiFePO{sub 4} was synthesized by solid state reaction at 800 deg. C under Ar flow from Li{sub 2}CO{sub 3}, FeC{sub 2}O{sub 4}.2H{sub 2}O and NH{sub 4}H{sub 2}PO{sub 4} precursors in stoichiometric composition. FePO{sub 4} was prepared from chemical oxidation of LiFePO{sub 4} using bromine as oxidative agent. For both materials a complete {sup 57}Fe Moessbauer study as a function of the temperature has been carried out.more »« less
https://doi.org/10.1016/j.jssc.2009.10.022
Intermittent microwave heating synthesized high performance spherical LiFePO{sub 4}/C for Li-ion batteries

Journal Article Zou, Hongli ; Zhang, Guanghui ; Shen, Pei Kang, E-mail: stsspk@mail.sysu.edu.cn - Materials Research Bulletin

An intermittent microwave heating method was used to synthesize spherical LiFePO{sub 4}/C in the presence of glucose as reductive agent and carbon source without the use of the inert gas in the oven processes. The FePO{sub 4} was used as iron precursor to reduce the cost and three lithium salts of Li{sub 2}CO{sub 3}, LiOH and CH{sub 3}COOLi were chosen for comparison of the resulting materials. The materials can be alternatively heated by this method at a temperature controllable mode for crystallization and phase transformation and to provide relaxation time for protecting particles growth. The X-ray diffraction and scanning electronmore »« less
https://doi.org/10.1016/J.MATERRESBULL.2009.09.031
Effects of Nb-doped on the structure and electrochemical performance of LiFePO{sub 4}/C composites

Journal Article Ma, Zhipeng ; Shao, Guangjie ; State Key Laboratory of Metastable Materials Science and Technology, Qinhuangdao 066004 ; ... - Journal of Solid State Chemistry

The olivine-type niobium doping Li{sub 1−x}Nb{sub x}FePO{sub 4}/C (x=0, 0.005, 0.010, 0.015, 0.025) cathode materials were synthesized via a two-step ball milling solid state reaction. The effects of Nb doping were charactered by X-ray diffraction (XRD), field-emission scanning electron microscopy (FE-SEM), galvanostatic intermittent titration technique (GITT), cyclic voltammetry (CV), electrochemical impedance spectra (EIS) and galvanostatic charge–discharge. It is found that Nb doping enlarges the interplanar distance of crystal plane parallel to [0 1 0] direction in LiFePO{sub 4}. In other words, it widens the one dimensional diffusion channels of Li{sup +} along the [0 1 0] direction. Electrochemical test resultsmore »« less
https://doi.org/10.1016/J.JSSC.2013.11.032
Influence of lithium vacancies on the polaronic transport in olivine phosphate structure

Journal Article Murugavel, Sevi ; Sharma, Monika ; Shahid, Raza - Journal of Applied Physics

Intercalation and deintercalation of lithium ions in cathode materials are of principal to the operation of current rechargeable lithium ion batteries. The performance of lithium ion batteries highly relies on the active cathode material which includes cell potential, power/energy density, capacity, etc. An important issue in this class of material is to resolve the factors governing the electron and ion transport in olivine phosphate structure. In this class of material, there is still an open debate on the mechanism of charge transport including both polarons and lithium ions. On the one hand, this is due to the large disparity betweenmore »« less
https://doi.org/10.1063/1.4939958
Research Update: Retardation and acceleration of phase separation evaluated from observation of imbalance between structure and valence in LiFePO{sub 4}/FePO{sub 4} electrode

Journal Article Tokuda, Kazuya ; Kawaguchi, Tomoya ; Ichitsubo, Tetsu ; ... - APL Materials

LiFePO{sub 4} is a potential positive electrode material for lithium ion batteries. We have experimentally observed an imbalance between the valence change of Fe ions and the structure change from the LiFePO{sub 4} phase to the FePO{sub 4} phase during delithiation by simultaneous in situ XRD and XANES measurements in an LiFePO{sub 4}/FePO{sub 4} electrode. The ratio of structure change to valence change clearly indicates that the phase separation from LiFePO{sub 4} to FePO{sub 4} is suppressed at the beginning of delithiation, while it is accelerated at the latter stage, which is due to the coherent strain caused by themore » lattice misfit between the two phases.« less
https://doi.org/10.1063/1.4886555

Similar Records

Title: Infrared-active optical phonons in LiFePO4 single crystals

Abstract

Citation Formats

Optimized LiFePO[sub 4] for Lithium Battery Cathodes journal, January 2001

Density‐functional thermochemistry. III. The role of exact exchange journal, April 1993

Phonon calculation on olivine-like LiMPO4 (M = Ni, Co, Fe) and Raman scattering of the iron-containing compound journal, January 2005

Raman and FTIR Spectroscopic Study of Li[sub x]FePO[sub 4] (0≤x≤1) journal, January 2004

Issues and challenges facing rechargeable lithium batteries journal, November 2001

Vibrational studies of olivine-type compounds—II Orthophosphates, -arsenates and -vanadates AIBIIXVO4 journal, March 1974

Reciprocal Salt Flux Growth of LiFePO 4 Single Crystals with Controlled Defect Concentrations journal, November 2013

Calculation of the vibration frequencies of ?-quartz: The effect of Hamiltonian and basis set journal, January 2004

Nondilute diffusion from first principles: Li diffusion in Li x TiS 2 journal, September 2008

Lattice dynamics, thermodynamics, and bonding strength of lithium-ion battery materials LiMPO 4 (M = Mn, Fe, Co, and Ni): a comparative first-principles study journal, January 2012

Synchrotron radiation-based far-infrared spectroscopic ellipsometer with full Mueller-matrix capability journal, February 2013

Magnetic Structures of the Triphylite LiFePO 4 and of Its Delithiated Form FePO 4 journal, October 2003

IR Near-Field Spectroscopy and Imaging of Single Li x FePO 4 Microcrystals journal, December 2014

In situ Raman spectroscopy of LiFePO 4 : size and morphology dependence during charge and self-discharge journal, September 2013

Electron Microscopy Study of the LiFePO[sub 4] to FePO[sub 4] Phase Transition journal, January 2006

Kinetics of non-equilibrium lithium incorporation in LiFePO4 journal, July 2011

Lithium deintercalation in LiFePO4 nanoparticles via a domino-cascade model journal, July 2008

Rotatable broadband retarders for far-infrared spectroscopic ellipsometry journal, February 2011

Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr journal, May 1989

Approaching Theoretical Capacity of LiFePO[sub 4] at Room Temperature at High Rates journal, January 2001

The calculation of the vibrational frequencies of crystalline compounds and its implementation in the CRYSTAL code: Crystalline Compounds and the CRYSTAL Code journal, March 2004

Positive Electrode Materials for Li-Ion and Li-Batteries † journal, February 2010

First-principles study of lattice dynamics of LiFePO4 journal, October 2009

Study of the LiFePO 4 /FePO 4 Two-Phase System by High-Resolution Electron Energy Loss Spectroscopy journal, November 2006

CRYSTAL: a computational tool for the ab initio study of the electronic properties of crystals journal, January 2005

Spectroscopic Ellipsometry book, January 2007

Phonons, lithium diffusion and thermodynamics of LiMPO 4 (M = Mn, Fe) journal, January 2014

Mueller matrices for anisotropic metamaterials generated using 4×4 matrix formalism journal, February 2011

Phospho-olivines as Positive-Electrode Materials for Rechargeable Lithium Batteries journal, April 1997

Ultimate Limits to Intercalation Reactions for Lithium Batteries journal, October 2014

Antiferromagnetism in LiFePO4 journal, March 1967

A general method to obtain well localized Wannier functions for composite energy bands in linear combination of atomic orbital periodic calculations journal, December 2001

Thermal Stability of LiFePO[sub 4]-Based Cathodes journal, January 1999

Properties of negative thermal expansion β -eucryptite ceramics prepared by spark plasma sintering journal, September 2018

Title: Infrared-active optical phonons in LiFePO₄ single crystals

Optimized LiFePO[sub 4] for Lithium Battery Cathodes
journal, January 2001

Density‐functional thermochemistry. III. The role of exact exchange
journal, April 1993

Phonon calculation on olivine-like LiMPO4 (M = Ni, Co, Fe) and Raman scattering of the iron-containing compound
journal, January 2005

Raman and FTIR Spectroscopic Study of Li[sub x]FePO[sub 4] (0≤x≤1)
journal, January 2004

Issues and challenges facing rechargeable lithium batteries
journal, November 2001

Vibrational studies of olivine-type compounds—II Orthophosphates, -arsenates and -vanadates AIBIIXVO4
journal, March 1974

Reciprocal Salt Flux Growth of LiFePO ₄ Single Crystals with Controlled Defect Concentrations
journal, November 2013

Calculation of the vibration frequencies of ?-quartz: The effect of Hamiltonian and basis set
journal, January 2004

Nondilute diffusion from first principles: Li diffusion in ${Li}_{x} {TiS}_{2}$
journal, September 2008

Lattice dynamics, thermodynamics, and bonding strength of lithium-ion battery materials LiMPO ₄ (M = Mn, Fe, Co, and Ni): a comparative first-principles study
journal, January 2012

Synchrotron radiation-based far-infrared spectroscopic ellipsometer with full Mueller-matrix capability
journal, February 2013

Magnetic Structures of the Triphylite LiFePO ₄ and of Its Delithiated Form FePO ₄
journal, October 2003

IR Near-Field Spectroscopy and Imaging of Single Li _x FePO ₄ Microcrystals
journal, December 2014

In situ Raman spectroscopy of LiFePO ₄ : size and morphology dependence during charge and self-discharge
journal, September 2013

Electron Microscopy Study of the LiFePO[sub 4] to FePO[sub 4] Phase Transition
journal, January 2006

Kinetics of non-equilibrium lithium incorporation in LiFePO4
journal, July 2011

Lithium deintercalation in LiFePO4 nanoparticles via a domino-cascade model
journal, July 2008

Rotatable broadband retarders for far-infrared spectroscopic ellipsometry
journal, February 2011

Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr
journal, May 1989

Approaching Theoretical Capacity of LiFePO[sub 4] at Room Temperature at High Rates
journal, January 2001

The calculation of the vibrational frequencies of crystalline compounds and its implementation in the CRYSTAL code: Crystalline Compounds and the CRYSTAL Code
journal, March 2004

Positive Electrode Materials for Li-Ion and Li-Batteries ^†
journal, February 2010

First-principles study of lattice dynamics of LiFePO4
journal, October 2009

Study of the LiFePO ₄ /FePO ₄ Two-Phase System by High-Resolution Electron Energy Loss Spectroscopy
journal, November 2006

CRYSTAL: a computational tool for the ab initio study of the electronic properties of crystals
journal, January 2005

Spectroscopic Ellipsometry
book, January 2007

Phonons, lithium diffusion and thermodynamics of LiMPO ₄ (M = Mn, Fe)
journal, January 2014

Mueller matrices for anisotropic metamaterials generated using 4×4 matrix formalism
journal, February 2011

Phospho-olivines as Positive-Electrode Materials for Rechargeable Lithium Batteries
journal, April 1997

Ultimate Limits to Intercalation Reactions for Lithium Batteries
journal, October 2014

Antiferromagnetism in LiFePO4
journal, March 1967

A general method to obtain well localized Wannier functions for composite energy bands in linear combination of atomic orbital periodic calculations
journal, December 2001

Thermal Stability of LiFePO[sub 4]-Based Cathodes
journal, January 1999

Properties of negative thermal expansion β -eucryptite ceramics prepared by spark plasma sintering
journal, September 2018