Vanderbilt Publication List
Publication List for David Vanderbilt
A link to the electronic journal copy is given if possible. Where
copyright policy allows, a link to a
local copy of the electronic journal article may also appear. If
these are unavailable, a link to a
cond-mat archive
preprint or to a
local preprint
may be given.
See also Google Scholar profile.
Updated Fri Apr 25 10:23:46 2025:
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A. Urru, I. Souza, O.P. Ocaña, S.S. Tsirkin, and D. Vanderbilt,
"Optical spatial dispersion via Wannier interpolation,"
submitted to Phys. Rev. B.
(cond-mat archive,
local copy of supplement)
-
R.M. Fernandes, T. Birol, M. Ye, and D. Vanderbilt,
"Loop-current order through the kagome looking glass,"
submitted to Nature Physics.
-
T. Cole and D. Vanderbilt,
"Reduced Wannier Representation for Topological Bands,"
submitted to Phys. Rev. B.
(cond-mat archive)
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J.L. Musfeldt, S. Singh, K.A. Smith, X. Xu, S.-W. Cheong, Z. Liu,
D. Vanderbilt, and K.M. Rabe,
"Pressure-driven polar orthorhombic to tetragonal phase transition
in hafnia at room temperature,"
Chemistry of Materials 37, 1820 (2025).
(journal link)
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D. Seleznev, J. Cano, and D. Vanderbilt,
"Inducing topological flat bands in bilayer graphene with electric
and magnetic superlattices,"
Phys. Rev. B 110, 205115 (2024).
(journal link,
local copy)
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K. Du, D. Jo, X. Xu, F.T. Huang, M.H. Lee, M.W. Chu, K. Wang,
D. Vanderbilt, H.W. Lee, and S.W. Cheong,
"Electrotoroidicity: New paradigm for transverse electromagnetic responses,"
submitted.
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Y. Chang, J. Yi, A.K. Wu, F.B. Kugler, E.Y. Andrei, D. Vanderbilt,
G. Kotliar, and J.H. Pixley,
"Vacancy-induced tunable Kondo effect in twisted bilayer graphene,"
Phys. Rev. Lett. 133, 126503 (2024).
(journal link,
local copy)
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V.C. Morano, J. Gaudet, N. Varnava, T. Berry, T. Halloran,
C.J. Lygouras, X. Wang, C.M. Hoffman, G. Xu, J.W. Lynn, T.M. McQueen,
D. Vanderbilt, and C.L. Broholm,
"Non-collinear 2k antiferromagnetism in the Zintl semiconductor
Eu5In2Sb6,"
Phys. Rev. B 109, 014432 (2024).
(journal link,
local copy)
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S. Ren, J. Bonini, M. Stengel, C.E. Dreyer, and D. Vanderbilt,
"Adiabatic dynamics of coupled spins and phonons in magnetic insulators,"
Phys. Rev. X 14, 011041 (2024).
(journal link,
local copy)
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D. Seleznev, S. Singh, J. Bonini, K.M. Rabe, and D. Vanderbilt,
"Cyclic ferroelectric switching and quantized charge transport
in CuInP2S6,"
Phys. Rev. B Letters 108, L180101 (2023).
(journal link,
local copy,
local copy of supplement)
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S. Lim, S. Singh, F.T. Huang, S. Pan, K. Wang, J. Kim, J. Kim,
D. Vanderbilt, and S.W. Cheong,
"Magnetochiral tunneling in paramagnetic Co1/3NbS2,"
PNAS 121, 2318443121 (2024).
(journal link,
local copy,
local copy of supplement)
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K. Park, J. Kim, S. Choi, S. Fan, C. Kim, D.G. Oh, N. Lee, S.-W. Cheong,
V. Kiryukhin, Y.J. Choi, D. Vanderbilt, J.H. Lee, and J.L. Musfeldt,
"Spin-phonon interactions and magnetoelectric coupling
in Co4Nb2O9 (B = Nb, Ta),"
Appl. Phys. Lett. 122, 182902 (2023).
(journal link,
local copy of supplement)
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J.L. Musfeldt, S. Singh, S. Fan, Y. Gu, X. Xu, S.-W. Cheong, Z. Liu,
D. Vanderbilt, and K.M. Rabe,
"Structural phase purification of HfO2:Y through pressure cycling,"
PNAS 121, e2312571121 (2024).
(journal link)
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D. Seleznev and D. Vanderbilt,
"Towards a theory of surface orbital magnetization,"
Phys. Rev. B 107, 115102 (2023).
(journal link,
local copy)
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J. Kim, C.Y. Huang, H. Lin, D. Vanderbilt, and N. Kioussis,
"Bismuth antiphase domain wall: A three-dimensional manifestation of
the Su-Schrieffer-Heeger model,"
Phys. Rev. B 107, 045135 (2023).
(journal link,
local copy)
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J. Bonini, S. Ren, D. Vanderbilt, M. Stengel, C.E. Dreyer, and S. Coh,
"Frequency splitting of chiral phonons from broken time reversal
symmetry in CrI3,"
Phys. Rev. Lett. 130, 086701 (2023).
(journal link,
local copy,
local copy of supplement)
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R. Xiao, J. Zhang, J. Chamorro, J. Kim, T.M. McQueen, D. Vanderbilt,
M. Kayyalha, Y. Li, and N. Samarth,
"Integer quantum Hall effect and enhanced g factor in quantum-confined
Cd3As2 films,"
Phys. Rev. B 106, L201101 (2022).
(journal link,
local copy,
local copy of supplement)
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S. Ren, H. Yang, S. Singh, P.E. Batson, and E.L. Garfunkel,
"Electronic structure of Humble defects in Ge and Ge0.8Si0.2,"
Phys. Rev. B 106, 155302 (2022).
(journal link,
local copy)
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Y.W. Yeh, S. Singh, G. Cheng, N. Yao, K.M. Rabe, D. Vanderbilt,
P.E. Batson, L. Pan, G. Xu, and S. Xu,
"Differentiating the binding states in calcium carbonate polymorphs by
low-loss electron-energy-loss spectroscopy,"
Acta Materiala 257, 119191 (2023).
(journal link)
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T. Berry, V.J. Stewart, B.W.Y. Redemann, C. Lygouras, N. Varnava,
D. Vanderbilt, and T.M. McQueen,
"A-type antiferromagnetic order in the Zintl phase insulator
EuZn2P2,"
Phys. Rev. B 106, 054420 (2022).
(journal link,
local copy)
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W. Ge, J. Kim, Y.T. Chan, D. Vanderbilt, J. Yan, and W. Wu,
"Direct visualization of surface spin-flip transition,"
Phys. Rev. Lett. 129, 107204 (2022).
(journal link,
local copy,
local copy of supplement)
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N. Varnava, T. Berry, T.M. McQueen, and D. Vanderbilt,
"Engineering magnetic topological insulators in Eu5M2X6 Zintls,"
Phys. Rev. B 105, 235128 (2022).
(journal link,
local copy,
local copy of supplement)
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T. Berry, N. Varnava, D. Ryan, V. Stewart, R. Rasta, I. Heinmaa,
N. Kumar, W. Schnelle, R. Bhandia, C. Pasco, N.P. Armitage, R. Stern,
C. Felser, D. Vanderbilt, and T.M. McQueen,
"Bonding and Suppression of a Magnetic Phase Transition in EuMn2P2,"
JACS 145, 4527 (2023).
(journal link,
local copy of supplement)
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H. Yang, S. Ren, S. Singh, E.M. Turner, K.S. Jones, P.E. Batson,
D. Vanderbilt, and E. Garfunkel,
"Humble planar defects in SiGe nanopillars,"
Phys. Rev. B 106, 054114 (2022).
(journal link,
local copy)
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J.R. Chamorro, P. Chauhan, C. Sun, N. Varnava, M.J. Winiarski, N. Ng,
H.K. Vivanco, L.A. Pressley, C.M. Pasco, D. Vanderbilt, Y. Li,
N.P. Armitage, and T.M. McQueen,
"Anomalous residual surface conductivity in a
superconductor with strong spin-orbit coupling,"
unpublished.
(cond-mat archive)
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S. Fan, S. Singh, X. Xu, K. Park, Y. Qi, S.W. Cheong, D. Vanderbilt,
K.M. Rabe, and J.L. Musfeldt,
"Vibrational fingerprints of ferroelectric HfO2,"
npj Quantum Materials 7, 32 (2022).
(journal link,
local copy,
local copy of supplement)
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K. Park, M.O. Yokosuk, M. Goryca, J.J. Yang, S.A. Crooker, S.-W. Cheong,
K. Haule, D. Vanderbilt, H.-S. Kim, and J.L. Musfeldt,
"Nonreciprocal directional dichroism at telecom wavelengths,"
npj Quantum Materials 7, 32 (2022).
(journal link,
local copy,
local copy of supplement)
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Y. Xu, H. Man, N. Tang, T. Ohtsuki, S. Baidya, S. Nakatsuji,
D. Vanderbilt, and N. Drichko,
"Phonon spectrum of Pr2Zr2O7 and Pr2Ir2O7 as an evidence
of coupling of the lattice with electronic and magnetic degrees of freedom,"
Phys. Rev. B 105, 075137 (2022).
(journal link,
local copy,
local copy of supplement)
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Y.W. Yeh, S. Singh, D. Vanderbilt, and P. Batson,
"Polarization selectivity of aloof-beam electron energy-loss
spectroscopy in one-dimensional ZnO nanorods,"
Phys. Rev. Applied 16, 054009 (2021).
(journal link,
local copy)
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S.N. Neal, S. Singh, X. Fang, C. Won, F.T. Huang, S.W. Cheong,
K.M. Rabe, D. Vanderbilt, and J.L. Musfeldt,
"Vibrational properties of CuInP2S6 across the ferroelectric
transition,"
Phys. Rev. B 105, 075151 (2022).
(journal link,
local copy,
local copy of supplement)
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M. Kim, K. Haule, and D. Vanderbilt,
"Orbital-selective Mott phase and non-Fermi liquid in FePS3,"
Phys. Rev. B 105, L041108 (2022).
(journal link,
local copy,
local copy of supplement)
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Y. Xu, H. Man, N. Tang, S. Baidya, H. Zhang, S. Nakatsuji,
D. Vanderbilt, and N. Drichko,
"Importance of dynamic lattice effects for crystal field excitations
in quantum spin ice candidate Pr2Zr2O7,"
Phys. Rev. B 104, 075125 (2021).
(journal link,
local copy,
local copy of supplement)
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T. Rauch, T. Olsen, D. Vanderbilt, and I. Souza,
"Mirror Chern numbers in the hybrid Wannier representation,"
Phys. Rev. B 103, 195103 (2021).
(journal link,
local copy)
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S. Mandal, K. Haule, K.M. Rabe, and D. Vanderbilt,
"Electronic correlation in nearly free electron metals with
beyond-DFT methods,"
npj Comp. Mater. 8, 181 (2022).
(journal link,
local copy,
local copy of supplement)
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S.N. Neal, K.R. O'Neal, A.V. Haglund, D.G. Mandrus, H.A. Bechtel,
G.L. Carr, K. Haule, D. Vanderbilt, H.S. Kim, and J.L. Musfeldt,
"Exploring few and single layer CrPS4 with near-field infrared
spectroscopy,"
2D Materials 8, 035020 (2021).
(journal link,
local copy)
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P. Pramanik, S. Singh, M.R. Chowdhury, S. Ghosh, V. Sathe, K.M. Rabe,
D. Vanderbilt, M.S. Seehra, and S. Thota,
"Lattice dynamics and magnetic exchange interactions in
GeCo2O4, a spinel with S=1/2 pyrochlore lattice,"
Phys. Rev. B 104, 014433 (2021).
(journal link,
local copy,
local copy of supplement)
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J. Gaudet, H.Y. Yang, S. Baidya, B. Lu, G. Xu, Y. Zhao, J.A. Rodriguez,
C.M. Hoffman, D.E. Graf, D.H. Torchinsky, P. Nikolić,
D. Vanderbilt, F. Tafti, and C.L. Broholm,
"Weyl mediated helical magnetism in NdAlSi,"
Nature Materials 20, 1650 (2021).
(journal link,
local copy of supplement)
See related
News
and Views article by Max Hirschberger and Yoshinori Tokura.
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K. Park, G.L. Pascut, G. Khanal, M.O. Yokosuk, X. Xu, B. Gao,
M.J. Gutmann, A.P. Litvinchuk, V. Kiryukhin, S.-W. Cheong,
D. Vanderbilt, K. Haule, and J.L. Musfeldt,
"Band-Mott mixing hybridizes the gap in Fe2Mo3O8,"
Phys. Rev. B 104, 195143 (2021).
(journal link,
local copy,
local copy of supplement)
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S. Ren, I. Souza, and D. Vanderbilt,
"Quadrupole moments, edge polarizations, and corner charges in the Wannier
representation,"
Phys. Rev. B 103, 035147 (2021).
(journal link,
local copy)
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S. Singh, A.H. Romero, J. Mella, V. Eremeev, E. Muñoz,
A.N. Alexandrova, K.M. Rabe, D. Vanderbilt, and F. Muñoz,
"High-temperature phonon-mediated superconductivity in monolayer
Mg2B4C2,"
npj Quantum Materials 7, 37 (2022).
(journal link,
local copy,
local copy of supplement)
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S. Baidya and D. Vanderbilt,
"First principles theory of Dirac semimetal Cd3As2
under Zeeman magnetic field,"
Phys. Rev. B 102, 165115 (2020).
(journal link,
local copy)
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N. Varnava, J.H. Wilson, J.H. Pixley, and D. Vanderbilt,
"Controllable quantum point junction on the surface of an
antiferromagnetic topological insulator,"
Nature Communications 12, 3998 (2021).
(journal link,
local copy,
local copy of supplement)
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K. Choudhary, K.F. Garrity, A.C.E. Reid, B. DeCost, A.J. Biacchi,
A.R.H. Walker, Z. Trautt, J. Hattrick-Simpers, A.G. Kusne, A. Centrone,
A. Davydov, J. Jiang, R. Pachter, G. Cheon, E. Reed, A. Agrawal,
X. Qian, V. Sharma, H. Zhuang, S.V. Kalinin, B.G. Sumpter, G. Pilania,
P. Acar, S. Mandal, K. Haule, D. Vanderbilt, K. Rabe, and F. Tavazza,
"JARVIS: An Integrated Infrastructure for Data-driven Materials Design,"
npj Computational Materials 6, 173 (2020).
(journal link,
local copy)
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T. Olsen, T. Rauch, D. Vanderbilt, and I. Souza,
"Gapless hinge states from adiabatic pumping of axion coupling,"
Phys. Rev. B 102, 035166 (2020).
(journal link,
local copy)
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X. Liu, S. Singh, V. Drouin-Touchette, T. Asaba, J.H. Brewer, Q. Zhang,
Y. Cao, B. Pal, S. Middey, P.S.A. Kumar, M. Kareev, L. Gu, D.D. Sarma,
P. Shafer, E. Arenholz, J.W. Freeland, L. Li, D. Vanderbilt,
and J. Chakhalian,
"Proximate quantum spin liquid on designer lattice,"
Nano Lett. 21, 2010 (2021).
(journal link,
local copy of supplement)
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S.N. Neal, H.S. Kim, A.V. Haglund, K.A. Smith, D.G. Mandrus,
H.A. Bechtel, G.L. Carr, K. Haule, D. Vanderbilt, and J.L. Musfeldt,
"Symmetry crossover in layered MPS3 complexes (M = Mn,
Fe, Ni) via near-field infrared spectroscopy,"
Phys. Rev. B 102, 085408 (2020).
(journal link,
local copy,
local copy of supplement)
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R.L. Dally, W.D. Ratcliff, L. Zhang, H.S. Kim, M. Bleuel, J.W. Kim,
K. Haule, D. Vanderbilt, S.W. Cheong, and J.W. Lynn,
"Magnetic phase transitions and spin density distribution in the
molecular multiferroic GaV4S8 system,"
Phys. Rev. B 102, 014410 (2020).
(journal link,
local copy,
local copy of supplement)
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P.M. Sass, J. Kim, D. Vanderbilt, J. Yan, and W. Wu,
"Robust A-type order and spin-flop transition on the surface of the
antiferromagnetic topological insulator MnBi2Te4,"
Phys. Rev. Lett. 125, 037201 (2020).
(journal link,
local copy,
local copy of supplement)
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J. Bonini, D. Vanderbilt, and K.M. Rabe,
"Berry flux diagonalization: application to electric polarization,"
Phys. Rev. B 102, 045141 (2020).
(journal link,
local copy)
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S. Singh, J. Kim, K.M. Rabe, and D. Vanderbilt,
"Engineering Weyl phases and nonlinear Hall effects in Td-MoTe2,"
Phys. Rev. Lett 125, 046402 (2020).
(journal link,
local copy,
local copy of supplement)
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N.C. Harms, H.S. Kim, A.J. Clune, K.A. Smith, K.R. O'Neal, A.V. Haglund,
D.G. Mandrus, Z. Liu, K. Haule, D. Vanderbilt, and J.L. Musfeldt,
"Piezochromism in the magnetic chalcogenide MnPS3,"
npj Quantum Materials 5, 56 (2020).
(journal link,
local copy,
local copy of supplement)
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N. Varnava, I. Souza, and D. Vanderbilt,
"Axion coupling in the hybrid Wannier representation,"
Phys. Rev. B 101, 155130 (2020).
(journal link,
local copy)
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S. Mandal, K. Haule, K.M. Rabe, and D. Vanderbilt,
"Influence of magnetic ordering on the spectral properties of binary
transition metal oxides,"
Phys. Rev. B 100, 245109 (2019).
(journal link,
local copy)
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X. Liu, S. Singh, B.J. Kirby, Z. Zhong, Y. Cao, B. Pal, M. Kareev,
S. Middey, J.W. Freeland, P. Shafer, E. Arenholz, D. Vanderbilt,
and J. Chakhalian,
"Emergent magnetic state in (111)-oriented quasi-two-dimensional
spinel oxides,"
Nano Letters 19, 8381 (2019).
(journal link,
local copy of supplement)
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S. Choi, H.S. Kim, H.H. Kim, A. Krajewska, G. Kim, M. Minola,
T. Takayama, K. Haule, D. Vanderbilt, H. Takagi, and B. Keimer,
"Lattice dynamics and structural transition of hyperhoneycomb iridate
β-Li2IrO3 demonstrated by high-pressure Raman scattering,"
Phys. Rev. B 101, 054102 (2020).
(journal link,
local copy,
local copy of supplement)
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S. Mandal, K. Haule, K.M. Rabe, and D. Vanderbilt,
"Systematic beyond-DFT study of binary transition metal oxides,"
npj Computational Materials 5, 115 (2019).
(journal link,
local copy)
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G. Pizzi, V. Vitale, R. Arita, S. Blügel, F. Freimuth,
G. Géranton, M. Gibertini, D. Gresch, C. Johnson, T. Koretsune,
J. Ibañez-Azpiroz, H. Lee, D. Marchand, A. Marrazzo,
Y. Mokrousov, J.I. Mustafa, Y. Nohara, Y. Nomura, L. Paulatto,
S. Poncé, T. Ponweiser, J. Qiao, F. Thöle, S. Tsirkin,
M. Wierzbowska, N. Marzari, D. Vanderbilt, I. Souza, A.A. Mostofi,
and J.R. Yates,
"Wannier90 as a community code: New features and applications,"
J. Phys. Cond. Matt. 32, 165902 (2020).
(journal link)
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J. Kim, K.M. Rabe, and D. Vanderbilt,
"Negative piezoelectric response of van der Waals layered bismuth
tellurohalides,"
Phys. Rev. B 100, 104115 (2019).
(journal link,
local copy)
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M.O. Yokosuk, H.S. Kim, K.D. Hughey, J.W. Kim, K.R. O'Neal, J. Yang,
S. Crooker, K. Haule, S.W. Cheong, D. Vanderbilt, and J.L. Musfeldt,
"Nonreciprocal directional dichroism of a chiral magnet in the visible range,"
npj Quantum Materials 5, 20 (2020).
(journal link,
local copy,
local copy of supplement)
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Z. Jiang, C. Paillard, D. Vanderbilt, H. Xiang, and L. Bellaiche,
"Designing multifunctionality via assembling dissimilar materials:
The case of epitaxial AlN/ScN superlattices,"
Phys. Rev. Lett. 123, 096801 (2019).
(journal link,
local copy,
local copy of supplement)
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J. Moon, J. Kim, N. Koirala, M. Salehi, D. Vanderbilt, and S. Oh,
"Ferromagnetic anomalous Hall effect in Cr-doped Bi2Se3 thin
films via surface-state engineering,"
Nano Letters 19, 3409 (2019).
(journal link)
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F.T. Huang, S.J. Lim, S. Singh, J. Kim, L. Zhang, J.W. Kim, M.W. Chu,
K.M. Rabe, D. Vanderbilt, and S.W. Cheong,
"Polar and phase domain walls with conducting interfacial states
in a Weyl semimetal MoTe2,"
Nature Communications 10, 4211 (2019).
(journal link,
local copy,
local copy of supplement)
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S.N. Neal, H.S. Kim, K.A. Smith, A.V. Haglund, D.G. Mandrus,
H.A. Bechtel, G.L. Carr, K. Haule, D. Vanderbilt, and J.L. Musfeldt,
"Near-field infrared spectroscopy of single layer MnPS3,"
Phys. Rev. B 100, 075428 (2019).
(journal link,
local copy,
local copy of supplement)
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D. Vanderbilt,
"Berry Phases in Electronic Structure Theory"
(Book), Cambridge University Press, 2018.
(CUP web page)
-
A. Schiaffino, C.E. Dreyer, D. Vanderbilt, and M. Stengel,
"Metric-wave approach to flexoelectricity within density-functional
perturbation theory,"
Phys. Rev. B 99, 085107 (2019).
(journal link,
local copy)
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H.S. Kim, K. Haule, and D. Vanderbilt,
"Molecular Mott state in the deficient spinel GaV4S8,"
Phys. Rev. B 102, 081105 (2020).
(journal link,
local copy,
local copy of supplement)
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X. Liu, M. Kotiuga, H.S. Kim, A.T. N'Diaye, Y. Choi, Y. Cao, M. Kareev,
F. Wen, B. Pal, J.W. Freeland, D. Haskel, P. Shafer, E. Arenholz,
K. Haule, D. Vanderbilt, K.M. Rabe, and J. Chakhalian,
"Interfacial Mott state in iridate-nickelate superlattices,"
PNAS 116, 19863 (2019).
(journal link)
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N. Varnava and D. Vanderbilt,
"Surfaces of axion insulators,"
Phys. Rev. B 98, 245117 (2018).
(journal link,
local copy)
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M. Ye, H.S. Kim, J.W. Kim, C.J. Won, K. Haule, D. Vanderbilt,
S.W. Cheong, and G. Blumberg,
"Covalency-driven collapse of strong spin-orbit coupling in
face-sharing iridium octahedra,"
Phys. Rev. B 98, 201105(R) (2018).
(journal link,
local copy,
local copy of supplement)
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H.S. Kim, K. Haule, and D. Vanderbilt,
"Mott metal-insulator transitions in pressurized layered trichalcogenides,"
Phys. Rev. Lett. 123, 236401 (2019).
(journal link,
local copy,
local copy of supplement)
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J. Kim, H.S. Kim, and D. Vanderbilt,
"Nearly triple nodal point topological phase in half-metallic GdN,"
Phys. Rev. B 98, 155122 (2018).
(journal link,
local copy)
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C. Chen, H.S. Kim, A.S. Admasu, S.W. Cheong, K. Haule, D. Vanderbilt,
and W. Wu,
"Trimer bonding states on the surface of transition-metal
dichalcogenide TaTe2,"
Phys. Rev. B 98, 195423 (2018).
(journal link,
local copy)
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M. Stengel and D. Vanderbilt,
"Quantum theory of mechanical deformations,"
Phys. Rev. B 98, 125133 (2018).
(journal link,
local copy)
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T. Rauch, T. Olsen, D. Vanderbilt, and I. Souza,
"Geometric and nongeometric contributions to the surface
anomalous Hall conductivity,"
Phys. Rev. B 98, 115108 (2018).
(journal link,
local copy)
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T. Birol, K. Haule, and D. Vanderbilt,
"Nature of the magnetic interactions in Sr3NiIrO6,"
Phys. Rev. B 98, 134432 (2018).
(journal link,
local copy,
local copy of supplement)
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C. Dreyer, M. Stengel, and D. Vanderbilt,
"Current-density implementation for calculating flexoelectric
coefficients,"
Phys. Rev. B 98, 075153 (2018).
(journal link,
local copy)
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Y. Chen, Y. Xie, Y. Gao, P.Y. Chang, S. Zhang, and D. Vanderbilt,
"Nexus networks in carbon honeycombs,"
Phys. Rev. Mater. 2, 044205 (2018).
(journal link,
local copy,
local copy of supplement)
-
B. Monserrat and D. Vanderbilt,
"Phonon-assisted spin splitting in centrosymmetric crystals,"
unpublished.
(cond-mat archive)
-
C. Gong, Y. Xie, Y. Chen, H.S. Kim, and D. Vanderbilt,
"Symmorphic intersecting nodal rings in semiconducting layers,"
Phys. Rev. Lett 120, 106403 (2018).
(journal link,
local copy,
local copy of supplement)
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B. Monserrat and D. Vanderbilt,
"Temperature dependence of the bulk Rashba splitting in
the bismuth tellurohalides,"
PR Materials 1, 054201 (2017).
(journal link,
local copy)
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Y. Gao, D. Vanderbilt, and D. Xiao,
"Microscopic Theory of Spin Toroidization in Periodic Crystals,"
Phys. Rev. B 97, 134423 (2018).
(journal link,
local copy)
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S.S. Tsirkin, I. Souza, and D. Vanderbilt,
"Composite Weyl nodes stabilized by screw symmetry with
and without time reversal,"
Phys. Rev. B 96, 045102 (2017).
(journal link,
local copy)
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B. Monserrat, J.W. Bennett, K.M. Rabe, and D. Vanderbilt,
"Antiferroelectric topological insulators in ABC compounds,"
Phys. Rev. Lett. 119, 036802 (2017).
(journal link,
local copy,
local copy of supplement)
-
T. Olsen, M. Taherinejad, I. Souza, and D. Vanderbilt,
"Surface theorem for the Chern-Simons axion coupling,"
Phys. Rev. B 95, 075137 (2017).
(journal link,
local copy)
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M. Ye and D. Vanderbilt,
"Domain walls and ferroelectric reversal in corundum derivatives,"
Phys. Rev. B 95, 014105 (2017).
(journal link,
local copy)
-
D. Gresch, G. Autès, O.V. Yazyev, M. Troyer, D. Vanderbilt,
B.A. Bernevig, and A.A. Soluyanov,
"Z2Pack: Numerical implementation of hybrid Wannier centers for identifying
topological materials,"
Phys. Rev. B 95, 075146 (2017).
(journal link,
local copy)
-
K.R. Bagnall, C.E. Dreyer, D. Vanderbilt, and E.N. Wang,
"Electric field dependence of optical phonon frequencies in wurtzite GaN
observed in GaN high electron mobility transistors,"
J. Appl. Phys. 120, 144104 (2016).
(journal link,
local copy)
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B. Monserrat and D. Vanderbilt,
"Temperature effects in the band structure of topological insulators,"
Phys. Rev. Lett. 117, 226801 (2016).
(journal link,
local copy,
local copy of supplement)
See also Physics, "Synopsis: Topological Insulators Feel the Heat."
(journal link)
-
J. Liu, S.Y. Park, K.F. Garrity, and D. Vanderbilt,
"Flux states and topological phases from spontaneous time-reversal
symmetry breaking in CrSi(Ge)Te3-based systems,"
Phys. Rev. Lett. 117, 257201 (2016).
(journal link,
local copy,
local copy of supplement)
-
H. Huang, J. Liu, D. Vanderbilt, and W. Duan,
"Topological nodal-line semimetals in alkaline-earth stannides,
germanides and silicides,"
Phys. Rev. B 93, 201114 (2016).
(journal link,
local copy,
local copy of supplement)
-
J.G. Cherian, T. Birol, N.C. Harms, B. Gao, S.W. Cheong, D. Vanderbilt,
and J.L. Musfeldt,
"Optical spectroscopy and band gap analysis of hybrid improper
ferroelectric Ca3Ti2O7,"
Applied Physics Letters 108, 262901 (2016).
(journal link,
local copy)
-
M. Ye and D. Vanderbilt,
"Ferroelectricity in corundum derivatives,"
Phys. Rev. B 93, 134303 (2016).
(journal link,
local copy,
local copy of supplement)
-
D. Di Sante, P. Barone, A. Stroppa, K.F. Garrity, D. Vanderbilt,
and S. Picozzi,
"Intertwined Rashba, Dirac and Weyl fermions in hexagonal
hyperferroelectrics,"
Phys. Rev. Lett. 117, 076401 (2016).
(journal link,
local copy)
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C.E. Dreyer, A. Janotti, C.G. Van de Walle, and D. Vanderbilt,
"Correct implementation of polarization constants in wurtzite
materials and impact on III-nitrides,"
Phys. Rev. X 6, 021038 (2016).
(journal link,
local copy,
local copy of supplement)
. See also
news article in Semiconductor Today.
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M.O. Yokosuk, A. al-Wahish, S. Artyukhin, K.R. O'Neal, D. Mazumdar,
P. Chen, J. Yang, Y.S. Oh, S.A. McGill, K. Haule, S.W. Cheong,
D. Vanderbilt, and J.L. Musfeldt,
"Magnetoelectric coupling through the spin flop transition
in Ni3TeO6,"
Phys. Rev. Lett. 117, 147402 (2016).
(journal link,
local copy,
local copy of supplement)
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J. Liu and D. Vanderbilt,
"Gauge-discontinuity contributions to Chern-Simons orbital
magnetoelectric coupling,"
Phys. Rev. B 92, 245138 (2015).
(journal link,
local copy)
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K. Lejaeghere*,
"Reproducibility in density functional theory calculations of solids,"
Science 351, 1415 (2016).
(journal link)
(*)With
68 other authors. Downloadable at
DeltaCodes.
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M.O. Yokosuk, S. Artyukhin, A. al-Wahish, X. Wang, J. Yang, Z. Li,
S.W. Cheong, D. Vanderbilt, and J.L. Musfeldt,
"Tracking the continuous spin-flop transition in Ni3TeO6
by infrared spectroscopy,"
Phys. Rev. B 92, 144305 (2015).
(journal link,
local copy)
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M. Stengel and D. Vanderbilt,
"First-principles theory of flexoelectricity,"
in Flexoelectricity in Solids: From Theory to Applications,
A.K. Tagantsev and P. Yudin, eds. (World Scientific, Singapore, 2016),
Chapter 2, pp. 31-110.
(local preprint)
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H. Huang, Z. Liu, H. Zhang, W. Duan, and D. Vanderbilt,
"Emergence of a Chern-insulating state from a semi-Dirac dispersion,"
Phys. Rev. B 92, 161115(R) (2015).
(journal link,
local copy,
local copy of supplement)
-
D. Gosálbez-Martínez, I. Souza, and D. Vanderbilt,
"Chiral degeneracies and Fermi-surface Chern numbers in bcc Fe,"
Phys. Rev. B 92, 085138 (2015).
(journal link,
local copy,
local copy of supplement)
-
H. Zhang, K. Haule, and D. Vanderbilt,
"Metal-insulator transition and topological properties of pyrochlore
iridates,"
Phys. Rev. Lett. 118, 026404 (2017).
(journal link,
local copy,
local copy of supplement)
-
Y. Zhou, K.M. Rabe, and D. Vanderbilt,
"Surface polarization and edge charges,"
Phys. Rev. B (RC) 92, 041102 (2015).
(journal link,
local copy)
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M. Ye and D. Vanderbilt,
"Magnetic charges and magnetoelectricity in hexagonal rare-earth
manganites and ferrites,"
Phys. Rev. B 92, 035107 (2015).
(journal link,
local copy,
local copy of supplement)
-
A.A. Mostofi, J.R. Yates, G. Pizzi, Y.S. Lee, I. Souza, D. Vanderbilt,
and N. Marzari,
"An updated version of Wannier90: A tool for obtaining
maximally-localized Wannier functions from energy bands,"
Comput. Phys. Commun. 185, 2309 (2014).
(journal link,
local copy)
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J.W. Kim, S. Artyukhin, E.D. Mun, M. Jaime, N. Harrison, A. Hansen,
J.J. Yang, Y.S. Oh, D. Vanderbilt, V.S. Zapf, and S.-W. Cheong,
"Successive magnetic field-induced transitions and colossal
magnetoelectric effect in Ni3TeO6,"
Phys. Rev. Lett. 115, 137201 (2015).
(journal link,
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local copy of supplement)
-
M.R. Li, M. Croft, P.W. Stephens, M. Ye, D. Vanderbilt, M. Retuerto,
Z. Deng, C.P. Grams, J. Hemberger, J. Hadermann, W.M. Li, C.Q. Jin,
F.O. Saouma, J.I. Jang, H. Akamatsu, V. Gopalan, D. Walker,
and M. Greenblatt,
"Mn2FeWO6: a new Ni3TeO6-type polar and magnetic
oxide,"
Adv. Mater. 27, 2177 (2015).
(journal link,
request article)
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M. Taherinejad and D. Vanderbilt,
"Adiabatic pumping of Chern-Simons axion coupling,"
Phys. Rev. Lett. 114, 096401 (2015).
(journal link,
local copy)
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J. Liu and D. Vanderbilt,
"Weyl semimetals from noncentrosymmetric topological insulators,"
Phys. Rev. B 90, 155316 (2014).
(journal link,
local copy)
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M. Brahlek, N. Koirala, J. Liu, T.I. Yusufaly, M. Salehi, M.G. Han,
Y. Zhu, D. Vanderbilt, and S. Oh,
"Tunable inverse topological heterostructure utilizing
(Bi1-xInx)2Se3,"
Phys. Rev. B 93, 125416 (2016).
(journal link,
local copy,
local copy of supplement)
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J. Liu and D. Vanderbilt,
"Spin-orbit spillage as a measure of band inversion in insulators,"
Phys. Rev. B 90, 125133 (2014).
(journal link,
local copy)
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H. Zhang, H. Huang, K. Haule, and D. Vanderbilt,
"Quantum anomalous Hall phase in (001) double-perovskite monolayers
via intersite spin-orbit coupling,"
Phys. Rev. B 90, 165143 (2014).
(journal link,
local copy)
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K.F. Garrity and D. Vanderbilt,
"Chern insulator at a magnetic rocksalt interface,"
Phys. Rev. B 90, 121103 (2014).
(journal link,
local copy)
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M. Ye and D. Vanderbilt,
"Dynamical magnetic charges and linear magnetoelectricity,"
Phys. Rev. B 89, 064301 (2014).
(journal link,
local copy)
-
M. Taherinejad, K.F. Garrity, and D. Vanderbilt,
"Wannier Center Sheets in Topological Insulators,"
Phys. Rev. B 89, 115102 (2014).
(journal link,
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D. Vanderbilt, I. Souza, and F.D.M. Haldane,
"Comment on `Weyl fermions and the anomalous Hall
effect in metallic ferromagnets',"
Phys. Rev. B 89, 117101 (2014).
(journal link,
local copy)
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K.F. Garrity, K.M. Rabe, and D. Vanderbilt,
"Hyperferroelectrics: Proper ferroelectrics with persistent
polarization,"
Phys. Rev. Lett. 112, 127601 (2014).
(journal link,
local copy)
See also "Physics Viewpoint" by N.A. Benedek
and M. Stengel,
"Polarization that Holds Steady," Physics
7, 32 (2014).
(journal link)
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J. Liu and D. Vanderbilt,
"Topological phase transitions in (Bi1-xSbx)2Se3
and (Bi1-xInx)2Se3,"
Phys. Rev. B 88, 224202 (2013).
(journal link,
local copy)
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G.L. Pascut, K. Haule, M.J. Gutmann, S.A. Barnett, A. Bombardi,
S. Artyukhin, D. Vanderbilt, J.J. Yang, S.-W. Cheong, and V. Kiryukhin,
"Dimerization-induced cross-layer quasi-two-dimensionality in
metallic IrTe2,"
Phys. Rev. Lett. 112, 086402 (2014).
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local copy,
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H. Zhang, K. Haule, and D. Vanderbilt,
"Effective J=1/2 insulating state in Ruddlesden-Popper iridates:
An LDA+DMFT study,"
Phys. Rev. Lett. 111, 246402 (2013).
(journal link,
local copy,
local copy of supplement)
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S. Coh and D. Vanderbilt,
"Canonical magnetic insulators with isotropic magnetoelectric coupling,"
Phys. Rev. B 88, 121106 (2013).
(journal link,
local copy,
local copy of supplement)
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Y.S. Oh, S. Artyukhin, J.J. Yang, V. Zapf, J.W. Kim, D. Vanderbilt,
and S.W. Cheong,
"Non-hysteretic colossal magnetoelectricity in a collinear antiferromagnet,"
Nature Communications 5, 3201 (2014).
(journal link,
local copy of supplement)
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J. Hong and D. Vanderbilt,
"First-principles theory and calculation of flexoelectricity,"
Phys. Rev. B 88, 174107 (2013).
(journal link,
local copy)
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K.F. Garrity, J.W. Bennett, K.M. Rabe, and D. Vanderbilt,
"Pseudopotentials for high-throughput DFT calculations,"
Comp. Mater. Sci. 81, 446 (2014).
(journal link,
local preprint,
local copy of supplement)
-
J. Hong and D. Vanderbilt,
"Electrically driven octahedral rotations in SrTiO3 and
PbTiO3,"
Phys. Rev. B 87, 064104 (2013).
(journal link,
local copy)
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K.F. Garrity and D. Vanderbilt,
"Chern insulators from heavy atoms on magnetic substrates,"
Phys. Rev. Lett. 110, 116802 (2013).
(