-
spglib, a C library for finding and handling crystal symmetries
-
Junki
Yoshitake,
Y.
Motome
(2011)
Trimer Formation and Metal-Insulator Transition in Orbital Degenerate Systems on a Triangular Lattice
arXiv: Strongly Correlated Electrons
-
F.
Pourpoint,
Xiao
Hua,
D.
Middlemiss,
P.
Adamson,
Da
Wang,
P.
Bruce,
C.
Grey
(2012)
New Insights into the Crystal and Electronic Structures of Li1+xV1–xO2 from Solid State NMR, Pair Distribution Function Analyses, and First Principles Calculations
Chemistry of Materials, 24
-
H.
Pen,
J.
Brink,
D.
Khomskii,
G.
Sawatzky
(1997)
Orbital ordering in a two-dimensional triangular lattice
Physical Review Letters, 78
-
(1963)
Magnetism and the Chemical Bond (Interscience
-
H.
Stokes,
D.
Hatch
(2005)
FINDSYM: program for identifying the space‐group symmetry of a crystal
Journal of Applied Crystallography, 38
-
W.
Tian,
M.
Chisholm,
P.
Khalifah,
R.
Jin,
B.
Sales,
S.
Nagler,
D.
Mandrus
(2004)
Single crystal growth and characterization of nearly stoichiometric LiVO2
Materials Research Bulletin, 39
-
T.
Hewston,
B.
Chamberland
(1985)
Preparation of LiVO2 crystals
Journal of Solid State Chemistry, 59
-
M.
Aichhorn,
L.
Pourovskii,
P.
Seth,
V.
Vildosola,
M.
Zingl,
O.
Peil,
Xiaoyu
Deng,
J.
Mravlje,
Gernot
Kraberger,
C.
Martins,
M.
Ferrero,
O.
Parcollet
(2015)
TRIQS/DFTTools: A TRIQS application for ab initio calculations of correlated materials
Comput. Phys. Commun., 204
-
D.
Bergeron,
A.
Tremblay
(2015)
Algorithms for optimized maximum entropy and diagnostic tools for analytic continuation.
Physical review. E, 94 2-1
-
E.
Gull,
A.
Millis,
A.
Lichtenstein,
A.
Rubtsov,
M.
Troyer,
P.
Werner
(2010)
Continuous-time Monte Carlo methods for quantum impurity models
Reviews of Modern Physics, 83
-
K.
Takao,
M.
Onoda
(2010)
Li local configurations for the trimerized state of the geometrically frustrated triangular lattice system Li1 − xV O2 with 0 ≤ x ≤ 0.14
Journal of Physics: Condensed Matter, 22
-
M.
Calandra,
I.
Mazin,
F.
Mauri
(2009)
Effect of dimensionality on the charge-density-wave in few-layers 2H-NbSe$_2$
Physical Review B, 80
-
M.
Onoda,
T.
Naka,
H.
Nagasawa
(1991)
Phase Transition and Spin Dynamics in LiVO 2
Journal of the Physical Society of Japan, 60
-
M.
Onoda,
T.
Inabe
(1993)
Role of Structural Change in Phase Transition in LiVO2
Journal of the Physical Society of Japan, 62
-
Goodenough,
Dutta,
Manthiram
(1991)
Lattice instabilities near the critical V-V separation for localized versus itinerant electrons in LiV1-yMyO2 (M=Cr or Ti) Li1-xVO2.
Physical review. B, Condensed matter, 43 13
-
K.
Kobayashi,
K.
Kosuge,
S.
Kachi
(1969)
Electric and magnetic properties of LixV2−xO2
Materials Research Bulletin, 4
-
J.
Gaudet,
J.
Dahn
(2013)
Lattice constant anomaly in the Li 1+x V 1-x O 2 system near x =0
Canadian Journal of Physics, 91
-
O.
Parcollet,
M.
Ferrero,
T.
Ayral,
H.
Hafermann,
I.
Krivenko,
L.
Messio,
P.
Seth
(2015)
TRIQS: A toolbox for research on interacting quantum systems
Comput. Phys. Commun., 196
-
M.
Aichhorn,
L.
Pourovskii,
V.
Vildosola,
M.
Ferrero,
O.
Parcollet,
T.
Miyake,
A.
Georges,
S.
Biermann
(2009)
Dynamical mean-field theory within an augmented plane-wave framework: Assessing electronic correlations in the iron pnictide LaFeAsO
Physical Review B, 80
-
T.
Jia,
Guoren
Zhang,
Z.
Zeng,
H.
Lin
(2009)
Orbitally relieved magnetic frustration in NaVO2
Physical Review B, 80
-
P.
Seth,
I.
Krivenko,
M.
Ferrero,
O.
Parcollet
(2015)
TRIQS/CTHYB: A continuous-time quantum Monte Carlo hybridisation expansion solver for quantum impurity problems
Comput. Phys. Commun., 200
-
H.
Cao,
B.
Chakoumakos,
Xin
Chen,
Jiaqiang
Yan,
M.
McGuire,
Hui
Yang,
R.
Custelcean,
Haidong
Zhou,
David
Singh,
D.
Mandrus
(2013)
Origin of the phase transition in IrTe2: structural modulation and local bonding instability
Physical Review B, 88
-
J.
Goodenough
(1960)
Band structure of transition metals and their alloys
Physical Review, 120
-
S.
Baroni,
Stefano
Gironcoli,
A.
Corso,
P.
Giannozzi
(2000)
Phonons and related crystal properties from density-functional perturbation theory
Reviews of Modern Physics, 73
-
Takaaki
Jin-no,
Y.
Shimizu,
M.
Itoh,
S.
Niitaka,
H.
Takagi
(2013)
Orbital reformation with vanadium trimerization in d 2 triangular lattice LiVO 2 revealed by 51 V NMR
Physical Review B, 87
-
S.
Ezhov,
V.
Anisimov,
H.
Pen,
D.
Khomskii,
G.
Sawatzky
(1997)
Orbital polarization in LiVO2 and NaTiO2
EPL, 44
-
A.
Fang,
Gang
Xu,
T.
Dong,
P.
Zheng,
Niuniu
Wang
(2012)
Structural phase transition in IrTe2: A combined study of optical spectroscopy and band structure calculations
Scientific Reports, 3
-
W.
Rüdorff,
H.
Becker
(1954)
Notizen: Die Strukturen von LiVO2, NaVO2, LiCrO2 und NaCrO2
Zeitschrift für Naturforschung B, 9
-
J.
Perdew,
K.
Burke,
M.
Ernzerhof
(1996)
Generalized Gradient Approximation Made Simple.
Physical review letters, 77 18
-
K.
Garrity,
J.
Bennett,
K.
Rabe,
D.
Vanderbilt
(2013)
Pseudopotentials for high-throughput DFT calculations
Computational Materials Science, 81
-
J.
Kikuchi,
S.
Kambe,
H.
Yasuoka,
Y.
Ueda,
K.
Tomimoto,
J.
Akimitsu
(1991)
51V knight shift and quadrupole interaction in the low-temperature phase of LiVO2
Journal of the Physical Society of Japan, 60
-
P.
Blaha,
K.
Schwarz,
G.
Madsen,
D.
Kvasnicka,
J.
Luitz,
Robert
Laskowsk,
Fabien
Tran,
L.
Marks
(2019)
WIEN2k: An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties
-
N.
Marzari,
D.
Vanderbilt,
A.
Vita,
M.
Physics,
Astronomy,
R.
University,
Infm,
Department
Engineering,
A.
Chemistry,
U.
Trieste,
Cavendish
Laboratory,
U.
Cambridge
(1999)
THERMAL CONTRACTION AND DISORDERING OF THE AL(110) SURFACE
Physical Review Letters, 82
-
T.
Hewston,
B.
Chamberland
(1986)
A study of the ternary oxide LiVO2 and its anomalous behavior
Journal of Solid State Chemistry, 65