User:Arturt: Difference between revisions
From Intelligent Materials and Systems Lab
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== Materjale == | == Materjale == | ||
''Perioodiliste kristalliarvutuste teooria:'' | |||
[[Media:Phys-Rev-B_1994_50_17953_Blochl_DFT-PAW.pdf|Projector augmented-wave method, [http://dx.doi.org/10.1103/PhysRevB.50.17953 ]]] | |||
''Sisuline osa:'' | |||
[[Media:cm801036k.pdf|Li2MnSiO4 artikkel, [http://dx.doi.org/10.1021/cm801036k ]]] | [[Media:cm801036k.pdf|Li2MnSiO4 artikkel, [http://dx.doi.org/10.1021/cm801036k ]]] | ||
Revision as of 14:10, 22 May 2009
Artur Tamm
Tegevused
VASPi kompileerimine erinevate "flag"idega
Li2MnSiO4Au modelleerimine ja tema võimalikud omadused
Kontakt
- e-mail: arturt@ut.ee
- tel: 55579478
Materjale
Perioodiliste kristalliarvutuste teooria:
Projector augmented-wave method, [http://dx.doi.org/10.1103/PhysRevB.50.17953 ]
Sisuline osa:
Li2MnSiO4 artikkel, [http://dx.doi.org/10.1021/cm801036k ]
Polaron juhtivuse arvutamine LiFePO4-s, http://dx.doi.org/10.1103/PhysRevB.73.104301
Li diffusiooni arvutamine LiMO2-s NEB meetodil, http://dx.doi.org/10.1103/PhysRevB.74.094105
Elastsusomaduste definitsioonid, Raamat: http://dx.doi.org/10.1007/0-306-48395-5
Elastsusomaduste arvutamine DFT meetoditega, teooria, http://dx.doi.org/10.1063/1.368733