Publications
PHONON
Last update December 30, 2010
This is a list of publications where Phonon was cited and/or used:
2010
- M.Zbiri, R.Mittal, S.Rols, Y.Su, Y.Xiao, H.Schober, S.L.Chaplot, M.R.Johnson,
T.Chatterji, Y.Inoue, S.Matsuishi, H.Hosono, and T.Brueckel
Magnetic lattice dynamics of the oxygen-free FeAs pnictides: how sensitive are phonons to magnetic ordering?
J.Phys.: Condensed Matter 22, 315701 (2010).
- D.Music, J.Burghaus, T.Takahashi, R.Dronskowski, and J.M.Schneider
Thermal expansion and elasticity of PdFe_3N within the quasiharmonic approximation,
Eur.Phys. J. B 77, 401-406 (2010).
- H.Ozisik, E.Deligoz, K.Cilaglu, G.Surucu
Mechanical nad lattice dynamical properties of the Re_2C compound
physica status solidi, Rapid Research Letters, October (2010).
- J. Lazewski, P. Piekarz, J. Tobola, B. Wiendlocha, P. T. Jochym, M. Sternik, and K. Parlinski
Phonon Mechanism of the Magnetostructural Phase Transition in MnAs
Phys. Rev. Lett. 104 147205, (2010).
- S. M. Dubiel, J. Cieslak, W. Sturhahn, M. Sternik, P. Piekarz, S. Stankov, and K. Parlinski
Vibrational Properties of alpha - and sigma-Phase Fe-Cr Alloy
Phys. Rev. Lett. 104 155503, (2010).
- S. Stankov, M. Sladecek, T. Slezak, J. Lazewski, R. Roehlsberger, B. Sepiol, G. Vogl, A. I. Chumakov, R. Rueffer, N. Spiridis, M. Zajac, M. Slezak, K. Parlinski and J. Korecki
Phonons in Iron Monolayers
J. Phys.: Conf. Ser. 217 012144, (2010).
- S. Couet, M. Sternik, B. Laenens, A. Siegel, K. Parlinski, N. Planckaert, F. Groestlinger, A. I. Chumakov, R. Rueffer, B. Sepiol, K. Temst, and A. Vantomme
Anisotropic Lattice Dynamics of FePt L10 Thin Films
Phys. Rev. B82 094109, (2010).
- U.D. Wdowik
Structural stability and thermal properties of BeO from the quasiharmonic approximation
J. Phys.: Condens. Matter 22, 045404 (2010).
- D.Legut and U.D. Wdowik
Ab initio study of the lattice dynamics of CsNiF3
J. Phys.: Condens. Matter 22, 435402 (2010).
- U.D. Wdowik, K. Parlinski, T. Chatterji, S. Rols, and H. Schober
Lattice dynamics of rhenium trioxide from the quasiharmonic approximation
Phys. Rev. B 82, 104301 (2010).
- M.Zbiri, H.Mutka, M.R.Johnson, an H.Schober
Phonon control of magnetic relaxation in the pyrochlore slab coumpounds
SrCr_9xGa_{12-9x}O_19 and Ba_2Sn_2ZnCr_{7x}Ga_{10-7x}O_22
Phys.Rev. B 81, 104414 (2010).
- J.G.Wang, L.Ma, and A.K.Ray
On the magnetic and thermodynamic properties of Americium-II: A
hybrid density functional theoretic study
Phys.Lett. A 374, 4702 (2010).
- G.Bao, D.F.Duan, D.W.Zhou, et al.
A New High-Pressure Polar Phase of Crystalline Bromoform: A First-Principles Study
J.Phys.Chem. B 114, 13933 (2010)
- K.M.Rabe
First-Principles Calculations of Complex Metal-Oxide Materials
Annual Review of Condensed Matter Physics, vol. 1, 211 (2010)
- P.Choudhury, V.R.Bhethanabotla, and E. Stefanakos
First principles study to identify the reversible reaction step of a
multinary hydrogen storage "Li-Mg-B-N-H" system
Int.J.Hydrogen Energy 35, 9002 (2010)
- Y.H.Duan and D.C.Sorescu
CO2 capture properties of alkaline earth metal oxides and hydroxides:
A combined density functional theory and lattice phonon dynamics study
J.Chem.Phys. 133, 074508 (2010)
- R.Arroyave, A.Junkaew, A.Chivukula, S.Bajaj, C.Y.Yao, and A. Garay
Investigation of the structural stability of Co2NiGa shape memory
alloys via ab initio methods
Acta Materialia 58, 5220 (2010)
- K.C.Kim , M.D.Allendorf, V.Stavila, and D.S.Sholl
Predicting impurity gases and phases during hydrogen evolution from complex metal
hydrides using free energy minimization enabled by first-principles calculations
Phys.Chemistry Chem.Phys. 12, 9918 (2010)
- J.F.Herbst, L.G.Hector, W.Wolf
Ab initio thermodynamic and elastic properties of AGaH(4) hydrides
(A=Li, Na, K, Rb, and Cs)
Phys.Rev. B 82, 824110 (2010)
- A.V.Rybina, K.S.Nemkovski, P.A.Alekseev, J.M.Mignot, E.S.Clementyev, M.Johnson,
L.Capogna, A.V.Dukhnenko, A.B.Lyashenko, V.B.Filippov
Lattice dynamics in ZrB12 and LuB12: Ab initio calculations and inelastic
neutron scattering measurements
Phys.Rev. B 82, 024302 (2010)
- J.Ruiz-Fuertes, D.Errandonea, R.Lacomba-Perales, A.Segura, J.Gonzalez, F.Rodriguez,
F.J.Manjon, S.Ray, P.Rodriguez-Hernandez, A.Munoz, Z.Zhu, C.Y.Tu
High-pressure structural phase transitions in CuWO4
Phys.Rev. B 81, 224115 (2010)
- J.Zhao, W.X.Feng, Z.M.Liu, Y.M.Ma, Z.He, T.Cui, G.T.Zou
Structural Investigation of Solid Methane at High Pressure
Chinese Phys.Lett. 27, 066101 (2010)
- M.W.Ammann, J.P.Brodholt, D.P.Dobson
Simulating Diffusion.
Theoretical and Computational Methods in Mineral Physics: Geophysical
Applications
Reviews in Mineralogy & Geochemistry 71, 201 (2010)
- A.Audzijonis, R.Sereika
The thermodynamic functions of SbSBr crystal
Phase Trans. 83, 389 (2010)
- A.Segura, P.Rodriguez-Hernandez, A.Munoz, A.H.Romero, J.Gonzalez,
J.Ruiz-Fuertes, S.Lopez-Moreno, D.Errandonea, J.Pellicer-Porres, and
R.Lacomba-Perales
High-pressure phase transitions and compressibility of wolframite-type tungstates
J.Appl.Phys. 107, 083506 (2010)
- X.Chen, Y.C.Wang, and Y.M.Ma
High Thermoelectric Performance of Ge/Si Core-Shell Nanowires: First-Principles
Prediction
J.Phys.Chem C 114, 9096 (2010)
- R.Lacomba-Perales, D.Martinez-Garcia, D.Errandonea, Y. Le Godec, J.Philippe,
G. Le Marchand, J.C.Chervin, A.Polian, A.Munoz, and J.Lopez-Solano
Experimental and theoretical investigation of the stability of the monoclinic
BaWO4-II phase at high pressure and high temperature
Phys.Rev B 81, 144117 (2010)
- J.Lopez-Solano, P.Rodriguez-Hernandez, A.Munoz, O.Gomis, D.Santamaria-Perez,
D.Errandonea, F.J.Manjon, R.S.Kumar, E.Stavrou, and C.Raptis
Theoretical and experimental study of the structural stability of TbPO4 at high
pressures
Phys.Rev. B 81, 144126 (2010)
- Y.W.Li, Y.M.Ma
Crystal structure and physical properties of OsN: First-principle calculations
Solid State Comm. 150, 759 (2010)
- E.Deligoz, K.Colakoglu, and Y.OCiftci
Phonon dispersion and thermodynamical properties in ZrB2, NbB2, and MoB2
Solid State Comm. 150 405 (2010)
- J.Barth, G.H.Fecher, B.Balke, et al.
Itinerant half-metallic ferromagnets Co(2)TiZ (Z=Si, Ge, Sn): Ab initio calculations
measurement of the electronic structure and transport properties
Phys.Rev. B 81 064404 (2010)
- F.J.Manjon, P.Rodriguez-Hernandez, A.Munoz, et al.
Lattice dynamics of YVO4 at high pressures
Phys. Rev. B 81, 075202 (2010)
- M.Cardona, R.K.Kremer, R.Lauck, et al.
Electronic, vibrational, and thermodynamic properties of ZnS with zinc-blende and
rocksalt structure
Phys. Rev. B 81, 075207 (2010)
- D.Sedmidubsky, R.J.M.Konings, and P.Soucek
Ab-initio calculations and phase diagram assessments of An-Al systems
(An = U, Np, Pu)
J. Nucl. Mater 397, 1 (2010)
- J.Leitner, P.Vonka, D.Sedmidubsky, et al.
Application of Neumann-Kopp rule for the estimation of heat capacity of mixed oxides
Thermochim. Acta 497, 7 (2010)
- E.Deligoz, K.Colakoglu, and Y.O.Ciftci
Lattice dynamical and thermodynamical properties of HfB2 and TaB2 compounds
Comp. Mater Sci. 47, 875 (2010)
- S.Cabuk
Ab initio volume-dependent elastic and lattice dynamics properties of KTaO3
Phys. Status Soidi B 247, 93 (2010)
- V.K.Peterson, G.J.Kearley, Y.Wu, et al.
Local Vibrational Mechanism for Negative Thermal Expansion: A Combined Neutron
Scattering and First-Principles Study
Andew.Chem. Int. Edit. 49, 585 (2010)
- X.L.Wang, F.B.Tian, L.C.Wang, et al.
Structural stability of polymeric nitrogen: A first-principles investigation
J. Chem. Phys. 132, 024502 (2010)
- K.C.Kim, D.S.Sholl
Crystal Structures and Thermodynamic Investigations of LiK(BH4)(2), KBH4, and
NaBH4 from First-Principles Calculations
J. Phys.Chem. C 114, 678 (2010)
2009
- M.R.Johnson, M.M.Koza, L.Capogna, and H.Mutka
Probing coupling between 'rattling' and extended lattice modes using
time-of-flight neutron scattering combined with ab initio
calculations -- introducing the PALD method
Nucl.Instr. and Meth. in phys.Research A 600 226-228 (2009).
- M.Derzsi, P.Piekarz, P.T.Jochym, J.Lazewski, M.Sternik,
A.M.Oles, and K.Parlinski
Effects of Coulomb interaction on the electronic structure and lattice dynamics
of the Mott insulator Fe_2SiO_4 spinel
Phys.Rev. B79, 205105 (2009).
- Niko de Koker
Thermal Conductivity of MgO periclase from equilibrium first principles
molucular dynamics
Phys.Rev.Lett. 103, 125902 (2009).
- B.Laenens, N.Planckaert, M.Sternik, P.T.Jochym, K.Parlinski
A.Vantomme, and J.Meerschaut
Probing the dynamical properties of the metastable bcc Fe_xCo_(1-x) phase
Phys.Rev. B79, 224303 (2009).
- J.S.Almeida, D.Y.Kim, C.Ortiz, M.Klintenberg, and R.Ahuja
On the dynamical stability and metalic behaviour of YH3 under pressure
Appl. Phys.Lett. 94, 251913 (2009).
- S.Lopez, A.H.Romero, P.Rodriguez-Hernandez and A.Munoz
First-principles study of the high-pressure phase transition in ZnAl2O4 and
ZnGa2O4: From cubic spinel to orthorhombic post-spinel structures
Phys.Rev. B79, 214103 (2009).
- R.Mittal, M.Zbiri, S.Rols, Y.Su, Y.Xiao, H.Schober, S.L.Chaplot, M.Johnson,
T.Chatterji, S.Matsuishi, H.Hosono, and Th.Brueckel
Effects of magnetic doping and temperature dependence of phonon dynamics in
CaFe(1-x)CoxAsF compounds (x=0, 0.06, and 0.12)
Phys.Rev. B79, 214514 (2009).
- R.Mittal, S.Rols, M.Zbiri, Y.Su, H.Schober, S.L.Chaplot, M.Johnson, M.Tegel,
T.Chatterji, S.Matsuishi, H.Hosono, D.Johrendt, and Th.Brueckel
Phonon spectra in CaFe_2As_2 and Ca_0.6Na_0.4Fe_2As_2:
Measurements of the pressure and temperature dependence and comparison with
ab initio and shell model calculations
Phys.Rev. B79, 144516 (2009).
- M.Zbiri, H.Schober, M.R.Johnson, S.Rols, R.Mittal, Y.Su, M.Rotter, and D.Johrendt
Ab initio lattice dynamics simulations and inelastic neutron scattering spectra for studing phonons in BaFe_2As_2: Effect of structural phase transitioin, structural relaxation, and magnetic ordering
Phys.Rev. B 79, 064511 (2009).
- M.R.Johnson, M.M.Koza, L.Capogna, and H.Mutka
Probing coupling between 'rattling' and extended lattice modes
using time-of-flight neutron scattering combined with ab initio
calculations - introducing the PALD method
Nuclar Insts and Methods A 600, 226 (2009).
- P.Piekarz, M.Derzsi, P.T.Jochym, J.Lazewski, M.Sternik,
K.Parlinski, and E.M.Serwicka
Crystal structure, hydrogen bonds, and lattice dynamics in
kanemite from first-principles calculations
Phys.Rev. B79, 134105 (2009).
- F.Fontaine-Vive, F.Merzel, M.R.Johnson and G.J.Kerley
Collagen and component polypeptides: Low frequency and amide vibrations
Chem.Phys. 355, 141 (2009).
- M.R.Johnson and H.P.Trommsdorff
Vibrational spectra of crystalline formic and acetic
isotopologues by inelastic neutron scattering and numerical simulations
Chem.Phys. 355, 118 (2009).
- U.D.Wdowik and K.Parlinski
Lattice dynamics of Fe-dopped CoO from first principles
J.Phys.: Condens.Matter 21, 125601 (2009).
- U.D. Wdowik and D. Legut
Ab initio lattice dynamics of MnO
J. Phys.: Condens. Matter 21, 275402 (2009).
- M.Cardona, R.K.Kremer, R.Lauck, et al.
Electronic, vibrational, and thermodynamic properties of metacinnabar
beta-HgS, HgSe, and HgTe
PHys. Rev. B 80, 195204 (2009)
- R.A.Evarestov, M.V.Losev
All-Electron LCAO Calculations of the LiF Crystal Phonon Spectrum: Influence of the
Basis Set, the Exchange-Correlation Functional, and the Supercell Size
J. Comput. Chem. 30, 2645 (2009)
- E.Deligoz, K.Colakoglu, and Y.O.Ciftci
Lattice dynamical properties of ScB2, TiB2, and VB2 compounds
Solid State Comm. 149, 1843 (2009)
- S.L.Shang, L.G.Hector, Y.Wang, et al.
First-principles study of elastic and phonon properties of the heavy fermion
compound CeMg
J. Phys.: Condensed Matter 21, 246001 (2009)
- J.G.O.Ojwang, R. van Santen, G.J.Ramer, et al.
An ab initio study of possible pathways in the thermal decomposition of NaAlH4
J. Solid State Chem. 181, 3037 (2008)
- M.Bayrakci, K.Colakoglu, E.Deligoz, et al.
A first-principle study of the structural and lattice dynamical properties of
CaX (X=S, Se, and Te)
High Presssure Res. 29, 187 (2009)
- T.Graf, G.H.Fecher, J.Barth, et al.
Electronic structure and transport properties of the Heusler compound Co2TiAl
J. Phys.D: Appl. Phys. 42, 084003 (2009)
- R.Lacomba-Perales, D.Errandonea, D.Martinez-Garcia, et al.
Phase transitions in wolframite-type CdWO4 at high pressure studied by Raman
spectroscopy and density-functional theory
Phys. Rev. B 79, 094105 (2009)
- D.Sedmidubsky, J.Leitner, P.Svoboda, et al.
Heat capacity and phonon spectra of A N-III
J. Therm. Anal. Calorim. 95 403 (2009)
- J.Winterlik, G.H.Fecher, A.Thomas, et al.
Superconductivity in palladium-based Heusler compounds
PHys. Rev. B 79, 064508 (2009)
- E.Tuncel, K.Colakoglu, E.Deligoz, et al.
A first-principles study on the structural, elastic, vibrational, and thermodynamical
properties of BaX (X = S, Se, and Te)
J. PHys. Chem. Solids 70, 371 (2009)
- A.Klaveness, H.Fjellvag, A.Kjekshus, et al.
A semi-empirical approach to accurate standard enthalpies of formation for solid hydrides
J. Alloy Comp. 469, 617 (2009)
- Y.H.Duan, and D.C.Sorescu
Density functional theory studies of the structural, electronic, and phonon properties
of Li2O and Li2CO3: Application to CO2 capture reaction
Phys. Rev. B 79, 014301 (2009)
- S.T.Sun, X.Z.Ke, C.F.Chen, et al.
First-principles prediction of low-energy structures for AlH3
Phys. Rev. B 79, 024104 (2009)
- J.Winterlik, G.H.Fecher, C.Felser, et al.
Ni-based superconductor: Heusler compound ZrNi2Ga
Phys. Rev. B 78, 184506 (2008)
- J.Voss, J.S.Hummelshoj, Z.Lodziana, et al.
Structural stability and decomposition of Mg(BH4)(2) isomorphs-an ab initio
free energy study
J. Phys.: Condens. Matter 21, 012203 (2009)
2008
-
M.M.Koza, M.R.Johnson, R.Viennois, H.Mutka, L.Girard, and D.Ravot,
Breakdown of Phonon Glass Paradigm in La- and Ce-filled Fe4Sb12 Skutterudites,
Nature Materials 7, 805 (2008).
-
S.Stankov, P.Piekarz, A.M.Oles, K.Parlinski, and R.Rueffer,
Lattice Dynamics of Eu from Nuclear Inelastic Scattering
and First-Principle Calculations,
Phys.Rev. B78, 180301 (2008).
-
M.Zbiri, T.Fennell, J.W.Taylor, M.Enderle, G.C.Lau, R.J.Cava and M.R.Johnson,
Ab Initio Lattice Dynamics Calculations of Vibrational Density of States and
Raman Active Modes of the Olivine Mineral Ni2SiO4,
J. Phys.: Condens.Matter 20, 285203 (2008).
-
D.Y.Kim, R.H.Scheicher, S.Lebcgue, J.Prasongkit, B.Arnaud, M.Alouani, and R.Ahuja,
Crystal Structure of the Pressure-Induced Metallic Phase of SiH4 from
Ab Initio Theory,
Proceedings of the National Academy of Sciences of the United State of America,
105, 16454 (2008).
-
D.Y.Kim, J.de Almeida, L.Koti, and R.Ahuja,
Dynamical Stability of the Hardest Known Oxide and the Cubic Solar Material: TiO2,
Appl.Phys.Lett. 90, 171903 (2007).
-
J.Hafner, Ab-initio Simulations of Materials using VASP: Density-functional
Theory and Beyond,
J. Computat. Chem. 29, 2044 (2008).
-
B. Wiendlocha, J. Tobola, M. Sternik, S. Kaprzyk, K. Parlinski,
and A. M. Oles, Superconductivity of Mo3Sb7 from first principles,
Phys. Rev. B78 060507 (2008).
-
W.Gebicki, P.Dominik, and S.Podsiadlo,
Lattice Dynamics and Raman Scattering from GaN:Mn crystals,
Phys. Rev. B 77, 245213 (2008).
- W.Paulus, H.Schober, S.Eibl, M.R.Johnson, T.Berthier,
O.Hernandez, M.Ceretti, M.Plazanet, K.Conder, and C.Lamberti
Lattice dynamics to trigger low temperature oxygen mobility
in solid oxide ion conductors
J.Am.Chem.Soc. 130, 16080 (2008).
- U.D.Wdowik and K.Parlinski
Lattice dynamics of cobalt-deficient CoO from first principles
Phys.Rev. 78, 224114 (2008).
- D.Errandonea, F.J.Manjon, N.Garro, et al.
Combined Raman scattering and ab initio investigation of pressure-induced
structural phase transitions in the scintillator ZnWO4
PHys. Rev. B 78, 054116 (2008)
- Y.O.Ciftci, K.Colakoglu, and E.Deligoz
The structural, thermodynamical, elastic, and vibrational properties of LaBi
J. Phys.: Conden. Matter 20, 345202 (2008)
- M.Fischer, T.Malcherek, U.Bismayer, et al.
Structure and stability of Cd2Nb2O7 and Cd2Ta2O7 explored by ab initio calculations
Phys. Rev. B 78, 014108 (2008)
- J.F.Herbst and L.G.Hector
On the formation of LaFe5Hn
J. Alloys Comp. 461, 26 (2008)
- Y.H.Liu, F.B.Tian, X.L.Jin, et al.
Near-edge X-ray absorption fine structure of solid oxygen under high pressure:
A density functional theory study
Solid State Comm. 147, 126 (2008)
- J.M.Perez-Mato, P.Blaha, K.Schwarz, et al.
Multiple instabilities in Bi4Ti3O12: A ferroelectric beyond the soft-mode paradigm
PHys. Rev. B 77, 184104 (2008)
- A.Marashdeh and T.J.Frankcombe
Ca(AlH4)(2), CaAlH5, and CaH2+6LiBH(4): Calculated dehydrogenation enthalpy, including
zero point energy, and the structure of the phonon spectra
J. Chem. Phys. 128 234505 (2008)
- N.Rey, A.Munoz, P.Rodriguez-Hernandez, et al.
First-principles study of lithium-doped carbon clathrates under pressure
J. Phys.: Condens.Matter 20 215218 (2008)
- P.Choudhury, V.R.Bhethanabotla, and E.Stefanakos
Identification of a stable phase for the high-capacity hydrogen-storage material
Zn(BH4)(2) from density functional theory and lattice dynamics
Phys. Rev. B 77 134302 (2008)
- P.Choudhury, V.R.Bhethanabotla, andE.Stefanakos
Ni-induced destabilization dynamics of crystalline zinc borohydride
Appl. Phys. Lett. 92, 134101 (2008)
- L.G.Hector and J.F.Herbst
Density functional theory for hydrogen storage materials: successes and opportunities
J. Phys.: Condens. Matter 20, 064229 (2008)
2007
-
H.Newmann, J.Lazewski, D. Kaczorowski, A. Szewczyk,
M. Gutowska and P. Piekarz,
Multiple Magnetic Phase Transitions in Tb3Cu4Si4,
J. Phys. Condens. Matter 19 246225 (2007)
-
L.Gondek, A.Szytula, D. Kaczorowski, A. Szewczyk, M. Gutowska and P. Piekarz,
Multiple Magnetic Phase Transitions in Tb3Cu4Si4,
J. Phys. Condens. Matter 19 246225 (2007)
-
T.Slezak, J.Lazewski, S.Stankov, K.Parlinski, R.Reitinger, M.Rennhofer,
R.Rueffer, B.Sepiol, M.Slezak, N.Spiridis, M.Zajac, A.I.Chumakov, and
J.Korecki,
Phonons at the Fe(110) Surface,
Phys.Rev.Lett. 99, 066103 (2007)
-
S. Raymond, P. Piekarz, J.P. Sanchez, J. Serrano, M. Krisch,
B. Detlefs, J. Rebizant, N. Metoki, K. Kaneko, P.T. Jochym,
A.M. Oles, K. Parlinski,
Probing the Coulomb Interaction of PuCoGa5 by Phonon Spectroscopy,
J. Alloy Compd. 444 - 445, 104 (2007)
-
Przemysaw Piekarz, Andrzej M. Oles, and Krzysztof Parlinski,
Correlation Effects in PuCoGa5 Superconductor,
Physica C 460 - 462, 655 (2007)
-
Przemysaw Piekarz, Krzysztof Parlinski, and Andrzej M. Oles,
Origin of the Verwey Transition in Magnetite:
Group Theory, Electronic Structure, and Lattice Dynamics Study,
Phys. Rev. B76, 165124 (2007)
-
Krzysztof Parlinski,
First-Principle Lattice Dynamics and Thermodynamics of Crystals,
J. Phys. Conf. Ser. 92 012009 (2007)
-
P. Piekarz, K. Parlinski and A.M. Oles, Order Parameters in the
Verwey Phase Transition,
J. Phys. Conf. Ser. 92 012164 (2007)
-
Jan Lazewski, Przemysaw Piekarz, Andrzej M. Oles, Jozef Korecki,
and Krzysztof Parlinski,
Magnetically Induced Dynamical Stability of a Fe Monolayer on W(110),
Phys. Rev. B76 205427 (2007)
-
D.Music, J.Emmerlich, and J.M.Schneider
Phase stability and elastic properties of Ta_{n+1}AlC_{n} at high pressure
and elevated temperature
J.Phys.: Condens.Matter 19, 136207 (2007)
-
U.D.Wdowik and K.Parlinski,
Lattice dynamics of CoO from first principles,
Phys.Rev. 75, 104306 (2007)
-
C.C.Homes, J.M.Tranquada, and D.J.Buttrey
Stripe order and vibrational properties of La2NiO[4+delta] for
delta=2/15: Measurements and ab initio calculations
Phys.Rev. B 75, 045128 (2007)
-
J.Lazewski, J.Korecki, and K.Parlinski
Phonons of (100) and (110) iron surfaces from
first-Principles calculations
Phys.Rev. 75, 054303 (2007)
-
S.V.Alapati, J.K.Johnson, D.S.Sholl
Predicting reaction equilibria for destabilized metal hydride decomposition
reactions for reversible hydrogen storage
J.Phys.Chem. C 111, 1584 (2007)
-
S.V.Alapati, J.K.Johnson, D.S.Sholl
Using first principles calculations to identify new destabilized metal
hydrade reactions for reversible hydrogen storage
Phys.Chem.Chem.Phys. 9, 1438 (2007)
- R.Brusetti, P.Bordet, J.Bossy, et al.
Superconductivity in the tungsten bronze RbxWO3 (0.20 <= x <= 0.33) in connection with
its structure, electronic density of states, and phonon density of states
PHys. Rev B 76, 174511 (2007)
2006
- D. Torumba, K. Parlinski, M. Rots, and S. Cottenier
Temperature dependence of the electric-field gradient in hcp-Cd from first principles
Phys. Rev. B 74, 144304 (2006).
-
P.Piekarz, K.Parlinski, and A.M.Oles
Mechanism of the Verwey transition in magnetite
Phys.Rev.Lett. 97, 156402 (2006)
-
M.R.Johnson, G.J.Kearley, J.A.Cowan, J.A.K.Howard, and S.F.Parker
Phonon driven proton transfer in crystals with short strong hydrogen bonds
J.Chem.Phys. 124, 234503 (2006)
-
P.T.Jochym, K.Parlinski, and A.M.Oles
Ab initio calculations of magnetic structure and
lattice dynamics in Fe/FeSi multilayers
Phys.Rev. B 73, 224411 (2006)
-
A.Siegel, K.Parlinski, and U.D.Wdowik
Ab initio calculations of structural transitiions in AlN crystal
Phys.Rev. B 74, 104116 (2006)
-
M.Sternik and K.Parlinski
Ab initio calculations of the stability and lattice dynamics
of the MgSiO3 post-perovskite
J.Phys.Chem.Solids 67, 796 (2006)
-
J.S.Tse, T.Iitaka, and K.Parlinski
Vibrational properties and superconductivity in Ba24Si100
Europhys. Lett. 75, 153 (2006)
-
K.Parlinski
Ab initio calculations of surface phonons from a direct method with
a filling slab approach: MgO(001) and Li/MgO(001) surfaces
Phys.Rev. B 74, 184309 (2006)
-
M.Sternik, K.Parlinski, and J.Korecki
Fe_m/Au_n multilayers from first principles
Phys.Rev. B 74, 195405 (2006)
-
J.Lazewski, P.Piekarz, A.M.Oles, and K.Parlinski
Influence of local electron interactions on phonon spectrum in iron,
Phys.Rev. B 74, 174304 (2006)
-
P.Piekarz, K.Parlinski, P.T.Jochym, A.M.Oles, J-P.Sanchez, and J Rebizant
First-principle study of phonon modes in PuCoGa5 superconductor
Phys.Rev. B 72, 014521 (2006)
-
F.Fontaine-Vive, M.R.Johnson, G.J.Kearley, J.A.K.Howard and S.F.Parker
How phonons govern the behavior of short, strong hydrogen bonds
in urea-phosphoric acid
J.Am.Chem.Soc. 128, 2963 (2006)
-
F.Fontaine-Vive, M.R.Johnson, G.J.Kearley, A.J.Cowan,
J.A.K.Howard and S.F.Parker,
Phonon driven proton transfer in crystals with strong hydrogen bonds
J.Chemical Physics. 124, 234503 (2006)
-
D.Music, R.Ahuja, and J.M.Schneider
Electronic structure and lattice dynamics of CaPd_2B studied
by first-principles methods
Phys.Lett.A 356, 251 (2006)
-
N.Metoki, K.Kaneko, S.Raymond, J-P.Sanchez, P.Piekarz, K.Parlinski,
A.M.Oles, S.Ikeda, T.D.Matsuda, Y.Haga, Y.Onuki, and G.H.Lander
Phonons in UCoGa5
Physica B 378-380, 1003 (2006)
-
S.Raymond, P.Piekarz, J.P.Sanchez, J.Serrano, M.Krisch, B.Janousova, J.Rebizant,
N.Metoki, K.Kaneko, P.T.Jochym, A.M.Oles, and K.Parlinski
Probing the Coulomb interaction of the Unconventional Superconductor
PuCoGa5 by phonon spectroscopy
Phys.Rev.Lett, 96, 237003 (2006)
- T.J.Frankcombe and G.J.Kroes
The H-D isotope effect in the stability of lithium alanate
Chem.Phys.Lett. 423, 102 (2006)
- T.J.Frankcombe and G.J.Kroes
Quasiharmonic approximation applied to LiBH4 and its decomposition products
Phys.Rev. B73, 174302 (2006)
-
P.Entel, V.D.Bucheinikov, V.V.Khovaillo, A.T.Zayak, W.A.Adeagbo, M.E.Gruner, H.C.Herpe, and E.F.Wassermann
Modelling the phase diagram of magnetic shape memory Heusler alloys
J.Phys. D,: Applied Phys. 39, 865 (2006)
-
T.Jaron, W.Grochala, and R.Hoffmann R,
Prediction of thermodynamic stability and electronic structure of novel ternary lanthanide hydrides
J.Mater.Chem. 16, 1154 (2006)
-
E.Deligoz, K.Colakoglu, and Y.Ciftci
Elastic, electronic, and lattice dynamical properties of CdS, CdSe, and CdTe
Physica B, Condensed Matter 373, 124 (2006)
-
P.Thibaudeau, A.Debernardi, V.T.Phuoc, S. da Rocha, and F.Gervais
Phonon anharmonicity in disordered MgAl2O4 spinel
Phys.Rev. B 73, 064305 (2006)
-
M.Plazanet, I.Glaznev, A.G.Stepanov, Y.I.Aristov, and H.Jobic
Dynamics of hydration water in CaCl2 complexes
Chem.Phys.Lett. 419, 111 (2006)
-
G.J.Kearley, M.R.Johnson, and J.Tomkinson
Intermolecular interactions in solid benzene
J.Chem.Phys. 124, 044514 (2006)
- K.-Y.Choi, V.P.Gnezdilov, P.Lemmens, L.Capogna, M.R.Johnson,
M.Sofin, A.Maljuk, M.Jansen and B.Keimer
Megnetic Excitations and phonons in the spin-chain compound NaCu2O2
Phys.Rev B 73, 94409 (2006).
- P.Hermet, J.-L.Bantignies, J.-L.Sauvajol, and M.R.Johnson
Dynamical charge tensors and infrared spectra of the crystalline
-quaterhiophene polymorph phase from first-principles calculations
Syntetic Metals 156, 519 (2006).
- W.Paulus et al.
Engineering oxygen transport
Anual Report ILL , 34 (2006).
- M.M.Koza, M.R.Johnson, H.Mutka, R.Viennois, L.Girard, and D.Ravot
Anual Report ILL , 58 (2006).
2005
-
P.Piekarz, K.Parlinski, P.T.Jochym, A.M.Oles, J.P.Sanchez, and J.Rebizant
First-principle study of phonon modes in PuCoGa_5 superconductor
Phys.Rev. B 72, 014521 (2005)
-
M.Sternik and K.Parlinski
Free-energy calculatioins of the cubic ZrO_2 crystal as an example of a system with a soft mode
J.Chem.Phys. 123, 204708 (2005)
-
W.A.Adeagbo, and P.Entel
Influence of dipole interactions on the lattice dynamics of crystalline ice
Phas.Trans. 78, 779 (2005)
-
J.E.Spanier, S.Gupta, M.Amer, and M.W.Barsoum
Vibrational behavior of the Mn+1AXn phases from first-order Raman scattering (M=Ti,V,Cr, A=Si, X=C,N)
Phys.Rev. B 71, 012103 (2005)
-
M.K.Drulis, A.Czopnik, H.Drulis, J.E.Spanier, A.Ganguly, and M.W. Barsoum
On the heat capacity of Ti3GeC2
Mater.Scien.& Engin. B, Solid State Mat.Adv.Tech 119, 159 (2005)
-
G.Wu, J.Zhou, and J.M.Dong
Raman modes of the deformed single-wall carbon nanotubes
Phys.Rev. B 72, 115411 (2005)
-
X.Z.Ke, A.Kuwabara, and I.Tanaka
Cubic and orthorhombic structures off aluminum hydride AlH3 predicted by a first-principles study
Phys.Rev. B 71, 184107 (2005)
-
D.Gora, and K.Parlinski
Ab initio calculation of Ni50-xFexTi50
J.Phys.Chem.Sol. 66, 1748 (2005)
-
A.T.Zayak, P.Entel, K.M.Rabe, W.A.Adeagbo, M.Acet
Anomalous vibrational effects in nonmagnetic and magnetic Heusler alloys
Phys.Rev. B 72, 054113 (2005)
-
C.Colinet, W.Wolf, R.Podloucky, and A.A.Pasturel
Ab initio study of the structural stability of TiSi2 compounds
Appl.Phys.Lett.87, 041910 (2005)
-
J.S.Tse, T.Iitaka, T.Kume, H.Shimizu, H.Fukuoka and S.Yamanaka
Electronic structure and vibrational properties of Ba_8Si_46, Ba_8Ag_nSi_46-n, and Ba_8Au_nSi_46-n
Phys.Rev. B72, 155441 (2005)
-
I.Natkaniec, K.Holderna-Natkaniec, I.Majerz, and K.Parlinski
Neutron spectroscopy of deuterated substitutes and DFT modeling
vibrational spectra of methanol clusters
Chemical Physics 317, 171 (2005)
- J.A.Stride, J.M.Adams, and M.R.Johnson
Lattice modes of hexamethylbenzene studied by inelastic neutron scattering
Chemical Physics 317, 143 (2005)
-
M.Plazanet, A.Beraud, M.Johnson, M.Krisch, H.P.Trommsdorff
Probing vibrational excitations inmolecular crystals
by inelastic scattering: From neutrons to X-rays
Chemical Physics 317, 153 (2005)
- A.Seko, F.Oba, A.Kuwabara, and I.Tanaka
Pressure-induced phase transition in ZnO and ZnO-MgO pseudobinary system:
A first-principles lattice dynamics study
Phys.Rev. B 72, 024107 (2005)
- H.G.Schimmel, M.R.Johnson, G.J.Kearley, A.J.Ramirez-Cuesta,
A.J.Huot and F.M.Mulder
Structural
information on ball milled magnesium hydride from vibrational
spectroscopy and ab-initio calculations
J.Alloy Compd. 393, 1 (2005)
- P.Hermet, J.L.Bantignies, A.Rahmani, J.L.Sauvajol, and M.R.Johnson
Polymorphism of
crystalline alpha-quaterhiophene and alpha-sexithiophene: Ab initio
analysis and comparison with inelastic neutron scattering response
J.Phys.Chem. A 109, 4202,
(2005).
- X.Q.Chen, W.Wolf, R.Podloucky, and R.Rogl
Ab initio study of
grouund-state properties of the Laves phase compounds TiCr_2, ZrCr_2
and HfCr_2,
Phys.Rev. B 71,
174101 (2005).
- R.Sikora
An initio study of phonons in the rutile structure of
TiO_2
J.Phys.Chem.Solids 66,
1069 (2005)
- A.T.Zayak, and P.Entel
A critical discussion of calculated
modulated structures, Fermi surface nesting and phonon softening in
magnetic shape memory alloys Ni_2Mn(Ga,Ge,Al) and CO_2MN(Ga,Ge)
J.Magn.Magn.Mater., 290, 874
(2005).
- P.Hermet, J.L.Bantignies, A.Rahmani, J-L.Sauvajol, M.R.Johnson,
and F.Serein
Far- and mid-infrared of crystalline 2,2 '-bithiophene: Ab initio
analysis and comparison with infrared response
J.Phys.Chem. A 109, 1684-1691 (2005).
- B.Handke, A.Kozlowski, K.Parlinski, J.Przewoznik, T.Slezak,
A.I.Chumakov, L.Niesen, Z.Kakol, and J.Korecki
Experimental and theoretical studies of vibrational density of states
in Fe_3O_4 single-crystalline thin films
Phys. Rev. B 71, 144301-1-11 (2005).
- M.Sternik, K.Parlinski
Lattice vibrations in cubic, tetragonal, and monoclinic phases of ZrO2
J.Chem.Phys. 122, 064707 (2005).
- M.Walterfang, W.Keune, E.Schuster, A.T.Zayak, P.Entel,
W.Sturhahn, T.S.Toellner, E.E.Alp, P.T.Jochym, and K.Parlinski,
Atomic vibrational density of states of crystalline beta-FeSi2 and
amorphous FeSi2 thin films
Phys.Rev. B 71, 035309 (2005).
- W.A.Adeagbo, A.Zayak, P.Entel
Ab initio study of the structure and dynamical properties of
crystalline ice
Phase Transit. 78, 179-196 (2005).
- M.Plazanet, F.Fontaine-Vive, K.H.Gardner, V.T.Forsyth, A.Ivanov,
A.J.Ramirez-Cuesta, and M.R.Johnson
Neutron vibrational spectroscopy gives new insight into the structure of poly
(-phenylene terepthalamide), a model beta-sheet compund
J.Am.Chem.Soc. 127, 6672 (2005).
2004
- J.M.Perez-Mato, M.Aroyo, A.Garcia, P.Blaha, K.Schwarz,
J.Schwiefer, and K.Parlinski,
Competing structural instabilities in the ferroelectric Aurivillius
compound SrBi2Ta2O9
Phys.Rev. B 70, 214111 (2004).
- K.Parlinski, P.T.Jochym, O.Leupold, A.I.Chumakov, R.Rueffer,
H.Schober, A.Jianu, J.Dutkiewicz, and W.Maziarz,
Local modes of Fe and Co atoms in NiAl intermetallics
Phys.Rev.B 70, 224304 (2004).
- J.Lazewski, H.Neumann, K.Parlinski
Ab initio characterization of magnetic CuFeS2
Phys.Rev. B 70, 195206 (2004).
- M.Yoshiya, C.A.J.Fisher, Y.Iwamoto, J.Ishii, T.Anyashii, and
K.Yabuta,
Phase stability of BaCo1-yFeyO3-delta by first principles calculations
Solid State Ionics 172, 159-163 (2004).
- P.Hermet, J.L.Bantignies, A.Rahmani, J-L.Sauvajol, and
M.R.Johnson,
Density-of-states of crystalline 2,2 '-bithiophene: ab initio analysis
and comparison with inelastic neutron scattering response
J.Phys-Condens.Mat 16, 7385-7396 (2004).
- P.Blaha, D.J.Singh, K.Schwarz
Geometric frustration, electronic instabilities, and charge singlets in
Y2Nb2O7
Phys.Rev.Lett. 93, 216403 (2004).
- X.Q.Chen, W.Wolf, R.Podloucky, P.Rogl, and M.Marsman
A new polymorphic material? Structural degeneracy of ZrMn2
Europhys. Lett. 67, 807 (2004).
- Z.Lodziana, T.Vegge
Structural stability of complex hydridesL LiBH4 revisited
Phys.Rev.Lett. 93, 145501 (2004).
- J.Lazewski, P.T.Jochym, P.Piekarz, and K.Parlinski,
Quasiharmonic approach to a second-order phase transition
Phys.Rev. B 70, 104109 (2004).
- T.Busgen, J.Feydt, R.Hassdorf, S.Thienhaus, M.Moske, M.Boese,
A.Zayak, and P.Entel
Ab initio calculations of structure and
lattice dynamics in
Ni-Mn-Al
shape memory alloys
Phys.Rev. B 70, 014111 (2004).
- J.Camacho, K.Parlinski, A.Cantarero, and K.Syuassen,
Vibrational properties of the high-pressure Cmcm phase of ZnTe
Phys.Rev. B 70, 033205 (2004).
- J.M.Perez-Mato, P.Blaha, K.Parlinski, K.Schwarz, M.Aroyo,
L.Elcoro,
and Z.Izaola,
Competing instabilities in ferroelectric Aurivillius compounds
Integr. Ferroelectr. 62, 183-188 (2004).
- K.Yuge, A.Seko, K.Kobayashi, T.Tatsuoka, S.R.Nishitami, and
H.Adachi,
Vibrational contribution on nucleation free energy of Cu precipitates
in Fe-Cu system
Mater.Trans. 45, 1473-1477 (2004).
- O.M.Lovvik, S.M.Opalka, H.W.Brinks, and B.C.Hauback,
Crystal structure and thermodynamic stability of the lithium alanates
LiAlH4 and Li3AlH6
Phys.Rev. B 69, 134117 (2004).
- H.G.Schimmel, M.R.Johnson, G.J.Kearley, A.J.Ramirez-Cuesta,
J.Huot, and F.M.Mulder,
The vibrational spectrum of magnesium hydride from inelastic neutron
scattering and density functional theory
Mat.Sci.Eng. B-Solid 108, 38-41 (2004).
- I.A.Sergienko, V.Keppens, M.McGuire, R.Jin, J.He, S.H.Curnoe,
B.C.Sales, P.Blaha, D.J.Singh, K.Schwarz, and D.Mandrus,
Metallic "ferroelectricity" in the pyrochlore Cd2Re2O7
Phys.Rev.Lett. 92, 065501 (2004)
- A.T.Zayak, P.Entel, V.D.Buchelnikov
Dynamical properties of
Ni_2MnGa determined from density functional calculations
Phase
Transition 77, 253 (2004).
- J.M.Adams, A.S.Ivanov, M.R.Johnson, and J.A.Stride
Cracking a chemical conundrum
Physica B 350, E351 (2004).
2003
- K.Parlinski, M.Parlinska, R.Gotthard
Phonons in austenite and martensite NiTi crystals
J.Phys IV 112, 635-638 (2003 ).
- A.T.Zayak, P.Entel, J.Enkovaara, A.Ayuela, and R.M.Nieminen,
First-principles investigation of phonon softenings and lattice
instabilities in the shape-memory system Ni2MnGa
Phys.Rev. B 68, 132402 (2003).
- J.Lazewski, H.Neumann, K.Parlinski, G. Lippold, and B.J.
Stanbery,
Lattice dynamics of CuAu-ordered CuInSe2
Phys.Rev. B 68, 144108 (2003 ).
- K.Schwarz, P.Blaha
Solid state calculations using WIEN2k
Comp.Mater.Scien. 28, 259 (2003).
- Z.Lodziana, K.Parlinski
Dynamical stability of the alpha and theta phases of alumina
Phys.Rev. B 67, 174106 (2003).
- M.R.Johnson, K.Parlinski, I.Natkaniec, and B.Hudson,
Ab initio calculations and INS measurements of phonons and molecular
vibrations in a model peptide compound - urea
Chem.Phys. 291, 53 (2003).
- L.van Eijck, M.R.Johnson, G.J.Kearley
Intermolecular interactiions in bithiophene as a model for polythiophene
J.Phys.Chem A 107, 8980 (2003).
- J.Lazewski, K.Parlinski, W.Szuszkiewicz W, and B.Hennion
Lattice dynamics of HgSe: Neutron scattering measurements and ab
initio
studies
Phys.Rev. B 67, 094305 (2003).
2002
- K.Parlinski and M.Parlinska-Wojtan,
Lattice dynamics of NiTi austenite,
martensite and R-phase
Phys.Rev., B 66, 064307 (2002).
- M.R.Johnson and H.P.Trommsdorff,
Dispersion of vibrational modes in benzoic acid
crystals
Chem.Phys.Lett., 364, 34 (2002).
- P.Piekarz, P.T.Jochym, K.Parlinski and J.Lazewski,
High-pressure and thermal properties of gamma- Mg_2SiO_4
from first-principles calculations,
J.Chem.Phys., 117, 3340 (2002).
- J.Lazewski, P.T.Jochym and K.Parlinski,
Band structure, Born effective charges and lattice dynamics of CuInS_2 from ab initio calculations,
J.Chem.Phys., 117, 2726 (2002).
- K.Parlinski
First-principle calculations of structure, lattice
dynamics and phase transitions
Ferroelectrics 267, 175-182
(2002).
- M.Plazanet, M.R.Johnson, T.Forsyth, A.Ivanov, J.Stride and K.Garderner
Vibrational spectroscopy of oriented Kevlar fibres, a model bete-sheet compound
Annual Report ILL p.86 (2002).
2001
- J.Y.Huang, L.C.Tang, M.H.Lee
Ab initio study of the structural
and optical properties of orthorhombic ternary nitride crystals
J.Phys.-Condens.Mat. 13, 10417-10431 (2001).
- K.Parlinski, J.Lazewski, P.T.Jochym, A.Chumakov, R.Rueffer and
G.Kresse,
Influence of magnetic interaction on lattice dynamics of FeBO_3,
Europhys.Lett, 56, 275 (2001).
- K.Parlinski,
Ab initio lattice dynamics of MgB_2,
Acta Phys.Polonica, 100, 767 (2001).
- K.Parlinski,
Lattice dynamics of cubic BN,
J.Alloys & Compounds, 328, 97 (2001).
- J.Lazewski and K.Parlinski,
Lattice dynamics and elasticity of silver thiogallate AgGaS_2, from ab initio calculations
J.Chem.Phys. 114, 6734 (2001).
- J.Lazewski and K.Parlinski,
Dynamical properties of pnictide ZnSnP_2,
from ab initio calculations
J.Alloys & Compounds, 328, 162 (2001).
- J.Lazewski, P.T.Jochym, K.Parlinski and P.Piekarz
Lattice dynamics of Mg_2SiO_4
J.Mol.Struc. 596, 3 (2001).
- K.Parlinski, Y.Kawazoe and Y Waseda
Ab initio studies of phonons in CaTiO_3
J.Chem.Phys. 114, 2395 (2001).
- Z.Lodziana, K.Parlinski and J.Hafner
Ab initio studies of high-pressure transformations in GeO_2
Phys.Rev. B 63, 134106 (2001).
2000
- K.Parlinski and Y.Kawazoe
Ab initio study of phonons and structural stability of the
perovskite-type MgSiO_3
European Physical J. B 16, 49 (2000).
- P.T.Jochym and K.Parlinski
Ab initio lattice dynamics and elastic constants of ZrC
European Physical J. B 15, 265 (2000).
- K.Parlinski and Y.Kawazoe
Ab initio study of phonons in rutile structure of SnO_2
European Physical J. B 13, 679 (2000).
- K.Parlinski, Z.Q.Li and Y.Kawazoe
Ab initio calculations of phonon dispersion relations in LiNbO_3
Phys.Rev. B 61, 272 (2000).
- K.Parlinski, J.Lazewski and Y.Kawazoe
Ab initio study of phonons in MgO
by the direct method including LO mode
J.Phys.Chem. Solids, 61, 87 (2000).
- P.Scharoch, K.Parlinski and A.Kiejnia
Ab initio calculations of phonon dispersion curves in Aluminium
Acta Phys.Pol. A 97, 349 (2000).
- Q.Sun, Q.Wang, K.Parlinski, J.Z.Yu, Y.Hashi,
X.G.Gong and Y.Kawazoe,
First-principles studies on
the intrinsic stability of the magic Fe13O8 cluster
Phys.Rev.B 61, 5781-5785 (2000 ).
1999
- K.Parlinski and Y.Kawazoe
Ab initio study of phonons in hexagonal GaN
Phys.Rev.B 60, 15 511 (1999).
- J.Lazewski, K.Parlinski, B.Hennion and R.Fouret
First-principle calculations of lattice dynamics of CuInSe_2
J.Phys.:Conden.Matter, 11, 9665 (1999).
- J.Lazewski, K.Parlinski
First-principle calculations for phonons in AgGaX_2 (X=Se, Te) chalcopiryte crystals
J.Phys.:Conden.Matter, 11, 9673 (1999).
- K.Parlinski
Calculation of phonon dispersion curves by the direct method,
Amer.Inst.Phys., Conference Proceedings 476
"Neutrons and Numerical Methods N_2M",
ed. M.R.Johnson, G.G.Kearley and H.G.Buttner, p.121 (1999).
- P.T.Jochym, K.Parlinski and M.Sternik,
TiC, lattice dynamics from ab initio
calculations,
European Physical J. B 10, 9 (1999).
- M.Sternik, P.T.Jochym and K.Parlinski
Calculations of the phonon dispersion curves of Ga_(1-x)Al_xAs
Comput. Materials Scienc 13, 232 (1999).
- K.Parlinski and G.Chapuis
Calculations of the phonon dispersion curves of C_2H_2,
OC(ND_2)_2, and Na_2CO_3
from generic force field
J.Chem.Phys. 110, 6406 (1999).
1997
- K.Parlinski, Z.Q.Li and Y.Kawazoe
First-principle determination of the soft mode in cubic ZrO_2
Phys.Rev.Lett. 78, 4063 (1997).
See: