FULL LIST

2022

122)

Title: Defect induced ferromagnetism in a two-dimensional metal−organic framework
Author(s): Shaikh M., Stroppa A., Ghosh S.
Source: Journal of Magnetism and Magnetic Materials – Volume: 545 – Issue: – Anno: 2022
DOI: 10.1016/j.jmmm.2021.168659
Citations: 0

2021

121)

Title: Density functional theory study of single-molecule ferroelectricity in Preyssler-type polyoxometalates
Author(s): Wang F., Lang Z., Yan L., Stroppa A., Poblet J.M., De Graaf C.
Source: APL Materials – Volume: 9 – Issue: 2 – Anno: 2021
DOI: 10.1063/5.0035778
Citations: 3

120)

Title: 2D hybrid CrCl2(N2C4H4)2with tunable ferromagnetic half-metallicity
Author(s): Hu W., Yang K., Stroppa A., Continenza A., Wu H.
Source: Journal of Materials Chemistry C – Volume: 9 – Issue: 18 – Anno: 2021
DOI: 10.1039/d1tc00518a
Citations: 0

119)

Title: Chirality-induced spin texture switching in twisted bilayer graphene
Author(s): Yananose K., Cantele G., Lucignano P., Cheong S.W., Yu J., Stroppa A.
Source: Physical Review B – Volume: 104 – Issue: 7 – Anno: 2021
DOI: 10.1103/PhysRevB.104.075407
Citations: 0

118)

Title: Chirality and magnetocaloricity in GdFeTeO6 as compared to GdGaTeO6
Author(s): Zvereva E., Vasilchikova T., Evstigneeva M., Tyureva A., Nalbandyan V., Gonçalves J., Barone P., Stroppa A., Vasiliev A.
Source: Materials – Volume: 14 – Issue: 20 – Anno: 2021
DOI: 10.3390/ma14205954
Citations: 0

2020

117)

Title: Manipulation of valley pseudospin in WSe2/CrI3 heterostructures by the magnetic proximity effect
Author(s): Hu T., Zhao G., Gao H., Wu Y., Hong J., Stroppa A., Ren W.
Source: Physical Review B – Volume: 101 – Issue: 12 – Anno: 2020
DOI: 10.1103/PhysRevB.101.125401
Citations: 21

116)

Title: Persistent Spin-texture and Ferroelectric Polarization in 2D Hybrid Perovskite Benzylammonium Lead-halide
Author(s): Jia F., Hu S., Xu S., Gao H., Zhao G., Barone P., Stroppa A., Ren W.
Source: The journal of physical chemistry letters – Volume: 11 – Issue: 13 – Anno: 2020
DOI: 10.1021/acs.jpclett.0c00543
Citations: 10

115)

Title: Tunable spin textures in polar antiferromagnetic hybrid organic–inorganic perovskites by electric and magnetic fields
Author(s): Lou F., Gu T., Ji J., Feng J., Xiang H., Stroppa A.
Source: npj Computational Materials – Volume: 6 – Issue: 1 – Anno: 2020
DOI: 10.1038/s41524-020-00374-8
Citations: 8

114)

Title: Two-dimensional metal dicyanamide frameworks of BeTriMe[M(dca)3(H2O)] (BeTriMe = benzyltrimethylammonium; dca = dicyanamide; M = Mn2+, Co2+, Ni2+): coexistence of polar and magnetic orders and nonlinear optical threshold temperature sensing
Author(s): Mączka M., Gągor A., Stroppa A., Gonçalves J.N., Zaręba J.K., Stefańska D., Pikul A., Drozd M., Sieradzki A.
Source: Journal of Materials Chemistry C – Volume: 8 – Issue: 34 – Anno: 2020
DOI: 10.1039/d0tc02794d
Citations: 5

113)

Title: Ferroelectricity and ferromagnetism in a VO I2 monolayer: Role of the Dzyaloshinskii-Moriya interaction
Author(s): Ding N., Chen J., Dong S., Stroppa A.
Source: Physical Review B – Volume: 102 – Issue: 16 – Anno: 2020
DOI: 10.1103/PhysRevB.102.165129
Citations: 12

112)

Title: Switchable Rashba anisotropy in layered hybrid organic–inorganic perovskite by hybrid improper ferroelectricity
Author(s): Wang F., Gao H., de Graaf C., Poblet J.M., Campbell B.J., Stroppa A.
Source: npj Computational Materials – Volume: 6 – Issue: 1 – Anno: 2020
DOI: 10.1038/s41524-020-00450-z
Citations: 10

111)

Title: First-principles study of structure and magnetism in copper(Ii)-containing hybrid perovskites
Author(s): Gonçalves J.N., Phillips A.E., Li W., Stroppa A.
Source: Crystals – Volume: 10 – Issue: 12 – Anno: 2020
DOI: 10.3390/cryst10121129
Citations: 0

110)

Title: Cyano-bridged perovskite [(CH3)3NOH]2[KM(CN)6], [M: Fe(iii), and Co(iii)] for high-temperature multi-axial ferroelectric applications with enhanced thermal and nonlinear optical performance
Author(s): Rok M., Ciżman A., Zarychta B., Zarȩba J.K., Trzebiatowska M., MącZka M., Stroppa A., Yuan S., Phillips A.E., Bator G.
Source: Journal of Materials Chemistry C – Volume: 8 – Issue: 48 – Anno: 2020
DOI: 10.1039/d0tc04527f
Citations: 6

109)

Title: Magneto-Optical Kerr Switching Properties of (CrI3)2and (CrBr3/CrI3) Bilayers
Author(s): Yang K., Hu W., Wu H., Whangbo M.H., Radaelli P.G., Stroppa A.
Source: ACS Applied Electronic Materials – Volume: 2 – Issue: 5 – Anno: 2020
DOI: 10.1021/acsaelm.0c00154
Citations: 9

108)

Title: Anomalous Hall effect in antiferromagnetic/nonmagnetic interfaces
Author(s): Asa M., Autieri C., Pazzocco R., Rinaldi C., Brzezicki W., Stroppa A., Cuoco M., Varvaro G., Picozzi S., Cantoni M.
Source: Physical Review Research – Volume: 2 – Issue: 4 – Anno: 2020
DOI: 10.1103/PhysRevResearch.2.043394
Citations: 5

2019

107)

Title: Electronic transport of organic-inorganic hybrid perovskites from first-principles and machine learning
Author(s): Li L., You Y., Hu S., Shi Y., Zhao G., Chen C., Wang Y., Stroppa A., Ren W.
Source: Applied Physics Letters – Volume: 114 – Issue: 8 – Anno: 2019
DOI: 10.1063/1.5045512
Citations: 11

106)

Title: Bioferroelectric Properties of Glycine Crystals
Author(s): Hu P., Hu S., Huang Y., Reimers J., Rappe A., Li Y., Stroppa A., Ren W.
Source: Journal of Physical Chemistry Letters – Volume: 10 – Issue: 6 – Anno: 2019
DOI: 10.1021/acs.jpclett.8b03837
Citations: 13

105)

Title: Molecular dynamics simulations of ferroelectricity in di-isopropyl-ammonium halide molecular crystals
Author(s): Huang Y., Hu P., Song J., Li Y., Stroppa A.
Source: Chemical Physics Letters – Volume: 730 – Issue: – Anno: 2019
DOI: 10.1016/j.cplett.2019.06.019
Citations: 1

104)

Title: Simulation of Structural Phase Transitions in Perovskite Methylhydrazinium Metal-Formate Frameworks: Coupled Ising and Potts Models
Author(s): Šimenas M., Ibenskas A., Stroppa A., Gagor A., Maczka M., Banys J., Tornau E.
Source: Journal of Physical Chemistry C – Volume: – Issue: – Anno: 2019
DOI: 10.1021/acs.jpcc.9b03448
Citations: 3

103)

Title: Pressure-induced reversible framework rearrangement and increased polarization in the polar [NH4][Cd(HCOO)3] hybrid perovskite
Author(s): Bermúdez-García J., García-Fernández A., Andrada-Chacón A., Sánchez-Benítez J., Ren W., Hu S., Gu T., Xiang H., Biczysko M., Castro-García S., Sánchez-Andújar M., Stroppa A., Señarís-Rodríguez M.
Source: Inorganic Chemistry Frontiers – Volume: 6 – Issue: 9 – Anno: 2019
DOI: 10.1039/c9qi00749k
Citations: 7

102)

Title: First-principles study of the structural, electronic, magnetic, and ferroelectric properties of a charge-ordered iron(ii)-iron(iii) formate framework
Author(s): Tang G., Ren W., Hong J., Stroppa A.
Source: Journal of Chemical Physics – Volume: 151 – Issue: 12 – Anno: 2019
DOI: 10.1063/1.5116343
Citations: 3

101)

Title: Cubic and tetragonal perovskites from the random phase approximation
Author(s): Jia F., Kresse G., Franchini C., Liu P., Wang J., Stroppa A., Ren W.
Source: Physical Review Materials – Volume: 3 – Issue: 10 – Anno: 2019
DOI: 10.1103/PhysRevMaterials.3.103801
Citations: 5

100)

Title: Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications
Author(s): Belviso F., Claerbout V., Comas-Vives A., Dalal N., Fan F., Filippetti A., Fiorentini V., Foppa L., Franchini C., Geisler B., Ghiringhelli L., Groß A., Hu S., Íñiguez J., Kauwe S., Musfeldt J., Nicolini P., Pentcheva R., Polcar T., Ren W., Ricci F., Ricci F., Sen H., Skelton J., Sparks T., Stroppa A., Urru A., Vandichel M., Vavassori P., Wu H., Yang K., Zhao H., Puggioni D., Cortese R., Cammarata A.
Source: Inorganic Chemistry – Volume: – Issue: – Anno: 2019
DOI: 10.1021/acs.inorgchem.9b01785
Citations: 13

99)

Title: Impact of organic molecule rotation on the optoelectronic properties of hybrid halide perovskites
Author(s): Xu Q., Stroppa A., Lv J., Zhao X., Yang D., Biswas K., Zhang L.
Source: Physical Review Materials – Volume: 3 – Issue: 12 – Anno: 2019
DOI: 10.1103/PhysRevMaterials.3.125401
Citations: 14

2018

98)

Title: Spin valley and giant quantum spin Hall gap of hydrofluorinated bismuth nanosheet
Author(s): Gao H., Wu W., Hu T., Stroppa A., Wang X., Wang B., Miao F., Ren W.
Source: Scientific Reports – Volume: 8 – Issue: 1 – Anno: 2018
DOI: 10.1038/s41598-018-25478-6
Citations: 5

97)

Title: Intrinsic and anisotropic Rashba spin splitting in Janus transition-metal dichalcogenide monolayers
Author(s): Hu T., Jia F., Zhao G., Wu J., Stroppa A., Ren W.
Source: Physical Review B – Volume: 97 – Issue: 23 – Anno: 2018
DOI: 10.1103/PhysRevB.97.235404
Citations: 109

96)

Title: Magnetic frustration in double perovskite LaSrNiRuO6
Author(s): Ou X., Fan F., Chen X., Li T., Jiang L., Stroppa A., Ouyang X., Wu H.
Source: EPL – Volume: 123 – Issue: 5 – Anno: 2018
DOI: 10.1209/0295-5075/123/57003
Citations: 2

95)

Title: Possible High- TC Layered Ferromagnetic Insulator Sr2NiRuO4: An Ab Initio Study
Author(s): Yang K., Fan F., Stroppa A., Wu H.
Source: Journal of Physical Chemistry C – Volume: 122 – Issue: 44 – Anno: 2018
DOI: 10.1021/acs.jpcc.8b08668
Citations: 1

94)

Title: Anomalous and Polarization-Sensitive Photoresponse of Td-WTe2 from Visible to Infrared Light
Author(s): Zhou W., Chen J., Gao H., Hu T., Ruan S., Stroppa A., Ren W.
Source: Advanced Materials – Volume: – Issue: – Anno: 2018
DOI: 10.1002/adma.201804629
Citations: 28

93)

Title: Design of a polar half-metallic ferromagnet with accessible and enhanced electric polarization
Author(s): Puggioni D., Stroppa A., Rondinelli J.
Source: Physical Review Materials – Volume: 2 – Issue: 11 – Anno: 2018
DOI: 10.1103/PhysRevMaterials.2.114403
Citations: 5

2017

92)

Title: Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds
Author(s): Mazzuca L., Canadillas-Delgado L., Rodríguez-Velamazán J., Fabelo O., Scarrozza M., Stroppa A., Picozzi S., Zhao J., Bu X., Rodríguez-Carvajal J.
Source: Inorganic Chemistry – Volume: 56 – Issue: 1 – Anno: 2017
DOI: 10.1021/acs.inorgchem.6b01866
Citations: 26

91)

Title: Polar Nature of (CH3NH3)3Bi2I9 Perovskite-Like Hybrids
Author(s): Kamminga M., Stroppa A., Picozzi S., Chislov M., Zvereva I., Baas J., Meetsma A., Blake G., Palstra T.
Source: Inorganic Chemistry – Volume: 56 – Issue: 1 – Anno: 2017
DOI: 10.1021/acs.inorgchem.6b01699
Citations: 42

90)

Title: Brilliant triboluminescence in a potential organic-inorganic hybrid ferroelectric: (Ph3PO)2MnBr2
Author(s): Tang Y., Wang Z., Li P., You Y., Stroppa A., Xiong R.
Source: Inorganic Chemistry Frontiers – Volume: 4 – Issue: 1 – Anno: 2017
DOI: 10.1039/c6qi00148c
Citations: 22

89)

Title: Ferroelectric polarization of hydroxyapatite from density functional theory
Author(s): Hu S., Jia F., Marinescu C., Cimpoesu F., Qi Y., Tao Y., Stroppa A., Ren W.
Source: RSC Advances – Volume: 7 – Issue: 35 – Anno: 2017
DOI: 10.1039/c7ra01900a
Citations: 25

88)

Title: Phase Transition, Dielectric Properties, and Ionic Transport in the [(CH3)2NH2]PbI3 Organic-Inorganic Hybrid with 2H-Hexagonal Perovskite Structure
Author(s): García-Fernández A., Bermúdez-García J., Castro-García S., Llamas-Saiz A., Artiaga R., López-Beceiro J., Hu S., Ren W., Stroppa A., Sánchez-Andújar M., Señarís-Rodríguez M.
Source: Inorganic Chemistry – Volume: 56 – Issue: 9 – Anno: 2017
DOI: 10.1021/acs.inorgchem.6b03095
Citations: 33

87)

Title: Revealing the role of thiocyanate anion in layered hybrid halide perovskite (CH3NH3)2Pb(SCN)2I2
Author(s): Tang G., Yang C., Stroppa A., Fang D., Hong J.
Source: Journal of Chemical Physics – Volume: 146 – Issue: 22 – Anno: 2017
DOI: 10.1063/1.4984615
Citations: 37

86)

Title: Structural properties and strain engineering of a BeB2 monolayer from first-principles
Author(s): Jia F., Qi Y., Hu S., Hu T., Li M., Zhao G., Zhang J., Stroppa A., Ren W.
Source: RSC Advances – Volume: 7 – Issue: 61 – Anno: 2017
DOI: 10.1039/c7ra07137j
Citations: 9

85)

Title: On the Density Functional Theory Treatment of Lanthanide Coordination Compounds: A Comparative Study in a Series of Cu-Ln (Ln = Gd, Tb, Lu) Binuclear Complexes
Author(s): Ferbinteanu M., Stroppa A., Scarrozza M., Humelnicu I., Maftei D., Frecus B., Cimpoesu F.
Source: Inorganic Chemistry – Volume: 56 – Issue: 16 – Anno: 2017
DOI: 10.1021/acs.inorgchem.7b00587
Citations: 12

84)

Title: Lattice dynamics of Dirac node-line semimetal ZrSiS
Author(s): Zhou W., Gao H., Zhang J., Fang R., Song H., Hu T., Stroppa A., Li L., Wang X., Ruan S., Ren W.
Source: Physical Review B – Volume: 96 – Issue: 6 – Anno: 2017
DOI: 10.1103/PhysRevB.96.064103
Citations: 16

83)

Title: Spin-reorientation magnetic transitions in Mn-doped SmFeO 3
Author(s): Kang J., Yang Y., Qian X., Xu K., Cui X., Fang Y., Chandragiri V., Kang B., Chen B., Stroppa A., Cao S., Zhang J., Ren W.
Source: IUCrJ – Volume: 4 – Issue: – Anno: 2017
DOI: 10.1107/S205225251700793X
Citations: 27

82)

Title: Electric-Magneto-Optical Kerr Effect in a Hybrid Organic-Inorganic Perovskite
Author(s): Fan F., Wu H., Nabok D., Hu S., Ren W., Draxl C., Stroppa A.
Source: Journal of the American Chemical Society – Volume: 139 – Issue: 37 – Anno: 2017
DOI: 10.1021/jacs.7b04911
Citations: 30

81)

Title: Improper ferroelectricity at antiferromagnetic domain walls of perovskite oxides
Author(s): Yang Y., Xiang H., Zhao H., Stroppa A., Zhang J., Cao S., Íñiguez J., Bellaiche L., Ren W.
Source: Physical Review B – Volume: 96 – Issue: 10 – Anno: 2017
DOI: 10.1103/PhysRevB.96.104431
Citations: 17

80)

Title: Dipole Order in Halide Perovskites: Polarization and Rashba Band Splittings
Author(s): Hu S., Gao H., Qi Y., Tao Y., Li Y., Reimers J., Bokdam M., Franchini C., Di Sante D., Stroppa A., Ren W.
Source: Journal of Physical Chemistry C – Volume: 121 – Issue: 41 – Anno: 2017
DOI: 10.1021/acs.jpcc.7b05929
Citations: 37

79)

Title: Electronic structure of linear polyacenes
Author(s): Cimpoesu F., Buta C., Ferbinteanu M., Philpott M., Stroppa A., Putz M.
Source: Current Organic Chemistry – Volume: 21 – Issue: 27 – Anno: 2017
DOI: 10.2174/1385272821666170517145324
Citations: 0

78)

Title: Electric properties of organic-inorganic halide perovskites and their role in the working principles of perovskite-based solar devices
Author(s): Quarti C., Di Sante D., Tan L., Mosconi E., Grancini G., Stroppa A., Barone P., De Angelis F., Picozzi S., Rappe A.
Source: Theoretical Modeling of Organohalide Perovskites for Photovoltaic Applications – Volume: – Issue: – Anno: 2017
DOI: 10.4324/9781315152424
Citations: 0

2016

77)

Title: Experimental and theoretical studies of structural phase transition in a novel polar perovskite-like [C2H5NH3][Na0.5Fe0.5(HCOO)3] formate
Author(s): Ptak M., MącZka M., Gągor A., Sieradzki A., Stroppa A., Di Sante D., Perez-Mato J., MacAlik L.
Source: Dalton Transactions – Volume: 45 – Issue: 6 – Anno: 2016
DOI: 10.1039/c5dt04536c
Citations: 88

76)

Title: Magnetic phase transition and giant anisotropic magnetic entropy change in TbFeO3 single crystal
Author(s): Cao Y., Xiang M., Zhao W., Wang G., Feng Z., Kang B., Stroppa A., Zhang J., Ren W., Cao S.
Source: Journal of Applied Physics – Volume: 119 – Issue: 6 – Anno: 2016
DOI: 10.1063/1.4941105
Citations: 36

75)

Title: Noble gas endohedral fullerenes, Ng@C60 (Ng=Ar, Kr): a particular benchmark for assessing the account of non-covalent interactions by density functional theory calculations
Author(s): Frecus B., Buta C., Oprea C., Stroppa A., Putz M., Cimpoesu F.
Source: Theoretical Chemistry Accounts – Volume: 135 – Issue: 5 – Anno: 2016
DOI: 10.1007/s00214-016-1883-z
Citations: 6

74)

Title: Role of Polar Phonons in the Photo Excited State of Metal Halide Perovskites
Author(s): Bokdam M., Sander T., Stroppa A., Picozzi S., Sarma D., Franchini C., Kresse G.
Source: Scientific Reports – Volume: 6 – Issue: – Anno: 2016
DOI: 10.1038/srep28618
Citations: 161

73)

Title: Coexistence of Three Ferroic Orders in the Multiferroic Compound [(CH3)4N][Mn(N3)3] with Perovskite-Like Structure
Author(s): Gómez-Aguirre L., Pato-Doldán B., Stroppa A., Yang L., Frauenheim T., Mira J., Yáñez-Vilar S., Artiaga R., Castro-García S., Sánchez-Andújar M., Señarís-Rodríguez M.
Source: Chemistry – A European Journal – Volume: 22 – Issue: 23 – Anno: 2016
DOI: 10.1002/chem.201503445
Citations: 40

72)

Title: Analogies between Jahn–Teller and Rashba spin physics
Author(s): Stroppa A., Barone P., Di Sante D., Cuoco M., Picozzi S., Whangbo M.
Source: International Journal of Quantum Chemistry – Volume: 116 – Issue: 20 – Anno: 2016
DOI: 10.1002/qua.25209
Citations: 2

71)

Title: Intertwined Rashba, Dirac, and Weyl Fermions in Hexagonal Hyperferroelectrics
Author(s): Di Sante D., Barone P., Stroppa A., Garrity K., Vanderbilt D., Picozzi S.
Source: Physical Review Letters – Volume: 117 – Issue: 7 – Anno: 2016
DOI: 10.1103/PhysRevLett.117.076401
Citations: 34

70)

Title: Magneto-electric coupling in antiferromagnet/ferroelectric Mn2Au/BaTiO3 interface
Author(s): Plekhanov E., Stroppa A., Picozzi S.
Source: Journal of Applied Physics – Volume: 120 – Issue: 7 – Anno: 2016
DOI: 10.1063/1.4961213
Citations: 9

69)

Title: Lone-Pair-Electron-Driven Ionic Displacements in a Ferroelectric Metal-Organic Hybrid
Author(s): Zhao W., Shi C., Stroppa A., Di Sante D., Cimpoesu F., Zhang W.
Source: Inorganic Chemistry – Volume: 55 – Issue: 20 – Anno: 2016
DOI: 10.1021/acs.inorgchem.6b01545
Citations: 39

68)

Title: Possibility of combining ferroelectricity and Rashba-like spin splitting in monolayers of the 1T -type transition-metal dichalcogenides MX2(M= Mo, W;X= S, Se, Te)
Author(s): Bruyer E., Di Sante D., Barone P., Stroppa A., Whangbo M., Picozzi S.
Source: Physical Review B – Volume: 94 – Issue: 19 – Anno: 2016
DOI: 10.1103/PhysRevB.94.195402
Citations: 52

67)

Title: Tuning the weak ferromagnetic states in dysprosium orthoferrite
Author(s): Cao S., Chen L., Zhao W., Xu K., Wang G., Yang Y., Kang B., Zhao H., Chen P., Stroppa A., Zheng R., Zhang J., Ren W., Íñiguez J., Bellaiche L.
Source: Scientific Reports – Volume: 6 – Issue: – Anno: 2016
DOI: 10.1038/srep37529
Citations: 17

66)

Title: Switchable electric polarization and ferroelectric domains in a metal-organic-framework
Author(s): Jain P., Stroppa A., Nabok D., Marino A., Rubano A., Paparo D., Matsubara M., Nakotte H., Fiebig M., Picozzi S., Choi E., Cheetham A., Draxl C., Dalal N., Zapf V.
Source: npj Quantum Materials – Volume: 1 – Issue: – Anno: 2016
DOI: 10.1038/npjquantmats.2016.12
Citations: 85

2015

65)

Title: High-temperature ferroelectricity and strong magnetoelectric effects in a hybrid organic-inorganic perovskite framework
Author(s): Tian Y., Stroppa A., Chai Y., Barone P., Perez-Mato M., Picozzi S., Sun Y.
Source: Physica Status Solidi – Rapid Research Letters – Volume: 9 – Issue: 1 – Anno: 2015
DOI: 10.1002/pssr.201409470
Citations: 62

64)

Title: Room-temperature polar order in [NH4][Cd(HCOO)3] – A hybrid inorganic-organic compound with a unique perovskite architecture
Author(s): Gómez-Aguirre L., Pato-Doldán B., Stroppa A., Yáñez-Vilar S., Bayarjargal L., Winkler B., Castro-García S., Mira J., Sánchez-Andújar M., Senaris-Rodriguez M.
Source: Inorganic Chemistry – Volume: 54 – Issue: 5 – Anno: 2015
DOI: 10.1021/ic502218n
Citations: 68

63)

Title: K dependence of the spin polarization in Mn5 Ge3/ Ge(111) thin films
Author(s): Ndiaye W., Mariot J., De Padova P., Richter M., Wang W., Heckmann O., Taleb-Ibrahimi A., Le Fèvre P., Bertran F., Cacho C., Leandersson M., Balasubramanian T., Stroppa A., Picozzi S., Hricovini K.
Source: Physical Review B – Condensed Matter and Materials Physics – Volume: 91 – Issue: 12 – Anno: 2015
DOI: 10.1103/PhysRevB.91.125118
Citations: 2

62)

Title: Emergence of ferroelectricity and spin-valley properties in two-dimensional honeycomb binary compounds
Author(s): Di Sante D., Stroppa A., Barone P., Whangbo M., Picozzi S.
Source: Physical Review B – Condensed Matter and Materials Physics – Volume: 91 – Issue: 16 – Anno: 2015
DOI: 10.1103/PhysRevB.91.161401
Citations: 102

61)

Title: Tuning the ferroelectric polarization in AA′MnWO6double perovskites through A cation substitution
Author(s): Young J., Stroppa A., Picozzi S., Rondinelli J.
Source: Dalton Transactions – Volume: 44 – Issue: 23 – Anno: 2015
DOI: 10.1039/c4dt03521f
Citations: 25

60)

Title: Ferroelectric polarization of CH3NH3PbI3: A detailed study based on density functional theory and symmetry mode analysis
Author(s): Stroppa A., Quarti C., De Angelis F., Picozzi S.
Source: Journal of Physical Chemistry Letters – Volume: 6 – Issue: 12 – Anno: 2015
DOI: 10.1021/acs.jpclett.5b00542
Citations: 142

59)

Title: Anharmonic lattice interactions in improper ferroelectrics for multiferroic design
Author(s): Young J., Stroppa A., Picozzi S., Rondinelli J.
Source: Journal of Physics Condensed Matter – Volume: 27 – Issue: 28 – Anno: 2015
DOI: 10.1088/0953-8984/27/28/283202
Citations: 52

58)

Title: Organic-inorganic hybrid perovskites ABI3 (A = CH3NH3, NH2CHNH2; B = Sn, Pb) as potential thermoelectric materials: a density functional evaluation
Author(s): Lee C., Hong J., Stroppa A., Whangbo M., Shim J.
Source: RSC Advances – Volume: 5 – Issue: 96 – Anno: 2015
DOI: 10.1039/c5ra12536g
Citations: 49

57)

Title: Zigzag antiferromagnetic quantum ground state in monoclinic honeycomb lattice antimonates A3 N i2Sb O6 (A=Li, Na)
Author(s): Zvereva E., Stratan M., Ovchenkov Y., Nalbandyan V., Lin J., Vavilova E., Iakovleva M., Abdel-Hafiez M., Silhanek A., Chen X., Stroppa A., Picozzi S., Jeschke H., Valentí R., Vasiliev A.
Source: Physical Review B – Condensed Matter and Materials Physics – Volume: 92 – Issue: 14 – Anno: 2015
DOI: 10.1103/PhysRevB.92.144401
Citations: 53

56)

Title: Strain Tuning of Ferroelectric Polarization in Hybrid Organic Inorganic Perovskite Compounds
Author(s): Ghosh S., Di Sante D., Stroppa A.
Source: Journal of Physical Chemistry Letters – Volume: 6 – Issue: 22 – Anno: 2015
DOI: 10.1021/acs.jpclett.5b01806
Citations: 51

55)

Title: Atomically precise semiconductor-graphene and hBN interfaces by Ge intercalation
Author(s): Verbitskiy N., Fedorov A., Profeta G., Stroppa A., Petaccia L., Senkovskiy B., Nefedov A., Wöll C., Usachov D., Vyalikh D., Yashina L., Eliseev A., Pichler T., Grüneis A.
Source: Scientific Reports – Volume: 5 – Issue: – Anno: 2015
DOI: 10.1038/srep17700
Citations: 17

2014

54)

Title: Structural and ferroelectric transitions in magnetic nickelate PbNiO 3
Author(s): Hao X., Stroppa A., Barone P., Filippetti A., Franchini C., Picozzi S.
Source: New Journal of Physics – Volume: 16 – Issue: – Anno: 2014
DOI: 10.1088/1367-2630/16/1/015030
Citations: 21

53)

Title: Local probing of multiferroics: First-principles study of hyperfine parameters in YMnO3 and YMn2O5
Author(s): Gonçalves J., Amaral V., Correia J., Stroppa A., Fenta A., Baghizadeh A., Picozzi S.
Source: EPJ Web of Conferences – Volume: 75 – Issue: – Anno: 2014
DOI: 10.1051/epjconf/20147509002
Citations: 3

52)

Title: Tuning order-by-disorder multiferroicity in CuO by doping
Author(s): Hellsvik J., Balestieri M., Usui T., Stroppa A., Bergman A., Bergqvist L., Prabhakaran D., Eriksson O., Picozzi S., Kimura T., Lorenzana J.
Source: Physical Review B – Condensed Matter and Materials Physics – Volume: 90 – Issue: 1 – Anno: 2014
DOI: 10.1103/PhysRevB.90.014437
Citations: 13

51)

Title: Cross coupling between electric and magnetic orders in a multiferroic metal-organic framework
Author(s): Tian Y., Stroppa A., Chai Y., Yan L., Wang S., Barone P., Picozzi S., Sun Y.
Source: Scientific Reports – Volume: 4 – Issue: – Anno: 2014
DOI: 10.1038/srep06062
Citations: 154

50)

Title: The “how-to” guide to computational crystallography
Author(s): Tasci E., Stroppa A., Sante D., Giovannetti G., Picozzi S., Perez-Mato J.
Source: Quantum Nanosystems: Structure, Properties, and Interactions – Volume: – Issue: – Anno: 2014
DOI: 10.1201/b17412
Citations: 0

2013

49)

Title: The electronic structure of gas phase croconic acid compared to the condensed phase: More insight into the hydrogen bond interaction
Author(s): Bisti F., Stroppa A., Perrozzi F., Donarelli M., Picozzi S., Coreno M., De Simone M., Prince K., Ottaviano L.
Source: Journal of Chemical Physics – Volume: 138 – Issue: 1 – Anno: 2013
DOI: 10.1063/1.4773059
Citations: 18

48)

Title: Hybrid improper ferroelectricity in a multiferroic and magnetoelectric metal-organic framework
Author(s): Stroppa A., Barone P., Jain P., Perez-Mato J., Picozzi S.
Source: Advanced Materials – Volume: 25 – Issue: 16 – Anno: 2013
DOI: 10.1002/adma.201204738
Citations: 240

47)

Title: Polar and magneto-electric properties of anti-ferrodistortive ordered Jahn-Teller distortions in a multiferroic metal-organic framework
Author(s): Stroppa A.
Source: Journal of Physics: Conference Series – Volume: 428 – Issue: 1 – Anno: 2013
DOI: 10.1088/1742-6596/428/1/012029
Citations: 14

46)

Title: Bulk electronic structure of Mn5Ge3/Ge(111) films by angle-resolved photoemission spectroscopy
Author(s): Ndiaye W., Richter M., Heckmann O., De Padova P., Mariot J., Stroppa A., Picozzi S., Wang W., Taleb-Ibrahimi A., Le Fèvre P., Bertran F., Cacho C., Leandersson M., Balasubramanian T., Hricovini K.
Source: Physical Review B – Condensed Matter and Materials Physics – Volume: 87 – Issue: 16 – Anno: 2013
DOI: 10.1103/PhysRevB.87.165137
Citations: 5

45)

Title: Synthesis and characterization of MnCrO4, a new mixed-valence antiferromagnet
Author(s): Nalbandyan V., Zvereva E., Yalovega G., Shukaev I., Ryzhakova A., Guda A., Stroppa A., Picozzi S., Vasiliev A., Whangbo M.
Source: Inorganic Chemistry – Volume: 52 – Issue: 20 – Anno: 2013
DOI: 10.1021/ic401391b
Citations: 8

44)

Title: Tuning the ferroelectric polarization in a multiferroic metal-organic framework
Author(s): Di Sante D., Stroppa A., Jain P., Picozzi S.
Source: Journal of the American Chemical Society – Volume: 135 – Issue: 48 – Anno: 2013
DOI: 10.1021/ja408283a
Citations: 213

43)

Title: Kinetic asymmetry in the growth of two-dimensional Mn oxide nanostripes
Author(s): Obermüller T., Steurer W., Surnev S., Barcaro G., Sementa L., Stroppa A., Fortunelli A., Netzer F.
Source: Physical Review B – Condensed Matter and Materials Physics – Volume: 88 – Issue: 23 – Anno: 2013
DOI: 10.1103/PhysRevB.88.235410
Citations: 11

2012

42)

Title: Spin-phonon coupling effects in transition-metal perovskites: A DFT+U and hybrid-functional study
Author(s): Hong J., Stroppa A., Añiguez J., Picozzi S., Vanderbilt D.
Source: Physical Review B – Condensed Matter and Materials Physics – Volume: 85 – Issue: 5 – Anno: 2012
DOI: 10.1103/PhysRevB.85.054417
Citations: 128

41)

Title: Effect of Au proximity on the LSMO surface: An ab initio study
Author(s): Petti D., Stroppa A., Picozzi S., Brivio S., Cantoni M., Bertacco R.
Source: Journal of Magnetism and Magnetic Materials – Volume: 324 – Issue: 17 – Anno: 2012
DOI: 10.1016/j.jmmm.2012.03.038
Citations: 4

40)

Title: Exceptionally large room-temperature ferroelectric polarization in the PbNiO 3 multiferroic nickelate: First-principles study
Author(s): Hao X., Stroppa A., Picozzi S., Filippetti A., Franchini C.
Source: Physical Review B – Condensed Matter and Materials Physics – Volume: 86 – Issue: 1 – Anno: 2012
DOI: 10.1103/PhysRevB.86.014116
Citations: 32

39)

Title: Advances in ab-initio theory of multiferroics Materials and mechanisms: Modelling and understanding
Author(s): Picozzia S., Stroppa A.
Source: European Physical Journal B – Volume: 85 – Issue: 7 – Anno: 2012
DOI: 10.1140/epjb/e2012-30124-1
Citations: 29

38)

Title: Ab initio study of the relation between electric polarization and electric field gradients in ferroelectrics
Author(s): Gonçalves J., Stroppa A., Correia J., Butz T., Picozzi S., Fenta A., Amaral V.
Source: Physical Review B – Condensed Matter and Materials Physics – Volume: 86 – Issue: 3 – Anno: 2012
DOI: 10.1103/PhysRevB.86.035145
Citations: 17

37)

Title: Structural, electronic and ferroelectric properties of croconic acid crystal: A DFT study
Author(s): Di Sante D., Stroppa A., Picozzi S.
Source: Physical Chemistry Chemical Physics – Volume: 14 – Issue: 42 – Anno: 2012
DOI: 10.1039/c2cp42127e
Citations: 33

36)

Title: Unravelling the role of the central metal ion in the electronic structure of tris(8-hydroxyquinoline) metal chelates: Photoemission spectroscopy and hybrid functional calculations
Author(s): Bisti F., Stroppa A., Donarelli M., Anemone G., Perrozzi F., Picozzi S., Ottaviano L.
Source: Journal of Physical Chemistry A – Volume: 116 – Issue: 47 – Anno: 2012
DOI: 10.1021/jp308303d
Citations: 2

35)

Title: Multiferroic and magnetoelectric metal-organic frameworks
Author(s): Stroppa A.
Source: Nuovo Cimento della Societa Italiana di Fisica C – Volume: 35 – Issue: 5 – Anno: 2012
DOI: 10.1393/ncc/i2012-11310-x
Citations: 0

2011

34)

Title: High-Tc ferroelectricity emerging from magnetic degeneracy in cupric oxide
Author(s): Giovannetti G., Kumar S., Stroppa A., Van Den Brink J., Picozzi S., Lorenzana J.
Source: Physical Review Letters – Volume: 106 – Issue: 2 – Anno: 2011
DOI: 10.1103/PhysRevLett.106.026401
Citations: 62

33)

Title: Fingerprints of the hydrogen bond in the photoemission spectra of croconic acid condensed phase: An x-ray photoelectron spectroscopy and ab-initio study
Author(s): Bisti F., Stroppa A., Picozzi S., Ottaviano L.
Source: Journal of Chemical Physics – Volume: 134 – Issue: 17 – Anno: 2011
DOI: 10.1063/1.3586813
Citations: 23

32)

Title: Revisiting Mn-doped Ge using the Heyd-Scuseria-Ernzerhof hybrid functional
Author(s): Stroppa A., Kresse G., Continenza A.
Source: Physical Review B – Condensed Matter and Materials Physics – Volume: 83 – Issue: 8 – Anno: 2011
DOI: 10.1103/PhysRevB.83.085201
Citations: 59

31)

Title: Electric control of magnetization and interplay between orbital ordering and ferroelectricity in a multiferroic metal-organic framework
Author(s): Stroppa A., Jain P., Barone P., Marsman M., Perez-Mato J., Cheetham A., Kroto H., Picozzi S.
Source: Angewandte Chemie – International Edition – Volume: 50 – Issue: 26 – Anno: 2011
DOI: 10.1002/anie.201101405
Citations: 216

30)

Title: Large ferroelectric polarization in the new double perovskite NaLaMnWO 6 induced by non-polar instabilities
Author(s): Fukushima T., Stroppa A., Picozzi S., Perez-Mato J.
Source: Physical Chemistry Chemical Physics – Volume: 13 – Issue: 26 – Anno: 2011
DOI: 10.1039/c1cp20626e
Citations: 83

29)

Title: Dielectric properties and magnetostriction of the collinear multiferroic spinel CdV2O4
Author(s): Giovannetti G., Stroppa A., Picozzi S., Baldomir D., Pardo V., Blanco-Canosa S., Rivadulla F., Jodlauk S., Niermann D., Rohrkamp J., Lorenz T., Streltsov S., Khomskii D., Hemberger J.
Source: Physical Review B – Condensed Matter and Materials Physics – Volume: 83 – Issue: 6 – Anno: 2011
DOI: 10.1103/PhysRevB.83.060402
Citations: 68

28)

Title: Polar distortions in hydrogen-bonded organic ferroelectrics
Author(s): Stroppa A., Di Sante D., Horiuchi S., Tokura Y., Vanderbilt D., Picozzi S.
Source: Physical Review B – Condensed Matter and Materials Physics – Volume: 84 – Issue: 1 – Anno: 2011
DOI: 10.1103/PhysRevB.84.014101
Citations: 41

27)

Title: Tuning the CO dissociation barriers by low-dimensional surface alloys
Author(s): Stroppa A., Mittendorfer F.
Source: Journal of Physical Chemistry C – Volume: 115 – Issue: 43 – Anno: 2011
DOI: 10.1021/jp207498u
Citations: 8

26)

Title: Giovannetti et al. reply:
Author(s): Giovannetti G., Kumar S., Stroppa A., Balestieri M., Van Den Brink J., Picozzi S., Lorenzana J.
Source: Physical Review Letters – Volume: 107 – Issue: 23 – Anno: 2011
DOI: 10.1103/PhysRevLett.107.239702
Citations: 3

25)

Title: Electronic structure of tris(8-hydroxyquinolinato)aluminium(III) revisited using the Heyd-Scuseria-Ernzerhof hybrid functional: Theory and experiments
Author(s): Bisti F., Stroppa A., Donarelli M., Picozzi S., Ottaviano L.
Source: Physical Review B – Condensed Matter and Materials Physics – Volume: 84 – Issue: 19 – Anno: 2011
DOI: 10.1103/PhysRevB.84.195112
Citations: 17

2010

24)

Title: Hybrid functional study of proper and improper multiferroics
Author(s): Stroppa A., Picozzi S.
Source: Physical Chemistry Chemical Physics – Volume: 12 – Issue: 20 – Anno: 2010
DOI: 10.1039/b927508h
Citations: 127

23)

Title: Electronic structure of bimetallic Ni-Rh nanowires
Author(s): Wagner M., Stroppa A., Mittendorfer F., Ramsey M., Surnev S., Netzer F.
Source: Surface Science – Volume: 604 – Issue: 17-18 – Anno: 2010
DOI: 10.1016/j.susc.2010.05.001
Citations: 3

22)

Title: Accurate surface and adsorption energies from many-body perturbation theory
Author(s): Schimka L., Harl J., Stroppa A., Grüneis A., Marsman M., Mittendorfer F., Kresse G.
Source: Nature Materials – Volume: 9 – Issue: 9 – Anno: 2010
DOI: 10.1038/nmat2806
Citations: 398

21)

Title: The multiferroic phase of DyFeO3: An ab initio study
Author(s): Stroppa A., Marsman M., Kresse G., Picozzi S.
Source: New Journal of Physics – Volume: 12 – Issue: – Anno: 2010
DOI: 10.1088/1367-2630/12/9/093026
Citations: 90

20)

Title: Magnetism in C- or N-doped MgO and ZnO: A density-functional study of impurity Pairs
Author(s): Wu H., Stroppa A., Sakong S., Picozzi S., Scheffler M., Kratzer P.
Source: Physical Review Letters – Volume: 105 – Issue: 26 – Anno: 2010
DOI: 10.1103/PhysRevLett.105.267203
Citations: 110

2009

19)

Title: Adsorption and dissociation of CO on bare and Ni-decorated stepped Rh(553) surfaces
Author(s): Stroppa A., Mittendorfer F., Andersen J., Parteder G., Allegretti F., Surnev S., Netzer F.
Source: Journal of Physical Chemistry C – Volume: 113 – Issue: 3 – Anno: 2009
DOI: 10.1021/jp806424t
Citations: 37

18)

Title: Unraveling the Jahn-Teller effect in Mn-doped GaN using the Heyd-Scuseria-Ernzerhof hybrid functional
Author(s): Stroppa A., Kresse G.
Source: Physical Review B – Condensed Matter and Materials Physics – Volume: 79 – Issue: 20 – Anno: 2009
DOI: 10.1103/PhysRevB.79.201201
Citations: 116

17)

Title: Multiferroicity in TTF-CA organic molecular crystals predicted through Ab initio calculations
Author(s): Giovannetti G., Kumar S., Stroppa A., Van Den Brink J., Picozzi S.
Source: Physical Review Letters – Volume: 103 – Issue: 26 – Anno: 2009
DOI: 10.1103/PhysRevLett.103.266401
Citations: 83

2008

16)

Title: Magneto-optical properties of (Ga,Mn)As: An ab initio determination
Author(s): Stroppa A., Picozzi S., Continenza A., Kim M., Freeman A.
Source: Physical Review B – Condensed Matter and Materials Physics – Volume: 77 – Issue: 3 – Anno: 2008
DOI: 10.1103/PhysRevB.77.035208
Citations: 24

15)

Title: A RAIRS, TPD, and DFT study of carbon monoxide adsorption on stepped Rh(553)
Author(s): Koch H., Singnurkar P., Schennach R., Stroppa A., Mittendorfer F.
Source: Journal of Physical Chemistry C – Volume: 112 – Issue: 3 – Anno: 2008
DOI: 10.1021/jp076080b
Citations: 25

14)

Title: Hybrid functionals applied to extended systems
Author(s): Marsman M., Paier J., Stroppa A., Kresse G.
Source: Journal of Physics Condensed Matter – Volume: 20 – Issue: 6 – Anno: 2008
DOI: 10.1088/0953-8984/20/6/064201
Citations: 492

13)

Title: CO adsorption on metal surfaces: A hybrid density functional study with plane wave basis set
Author(s): Stroppa A.
Source: Journal of Physics Condensed Matter – Volume: 20 – Issue: 6 – Anno: 2008
DOI: 10.1088/0953-8984/20/6/064205
Citations: 2

12)

Title: The shortcomings of semi-local and hybrid functionals: What we can learn from surface science studies
Author(s): Stroppa A., Kresse G.
Source: New Journal of Physics – Volume: 10 – Issue: – Anno: 2008
DOI: 10.1088/1367-2630/10/6/063020
Citations: 207

11)

Title: Spin polarization tuning in Mn5-x Fex Ge3
Author(s): Stroppa A., Kresse G., Continenza A.
Source: Applied Physics Letters – Volume: 93 – Issue: 9 – Anno: 2008
DOI: 10.1063/1.2977469
Citations: 16

2007

10)

Title: Competing magnetic phases of Mn 5Ge 3 compound
Author(s): Stroppa A., Peressi M.
Source: Physica Status Solidi (A) Applications and Materials Science – Volume: 204 – Issue: 1 – Anno: 2007
DOI: 10.1002/pssa.200673014
Citations: 28

9)

Title: Computational and experimental imaging of Mn defects on GaAs (110) cross-sectional surfaces
Author(s): Stroppa A., Duan X., Peressi M., Furlanetto D., Modesti S.
Source: Physical Review B – Condensed Matter and Materials Physics – Volume: 75 – Issue: 19 – Anno: 2007
DOI: 10.1103/PhysRevB.75.195335
Citations: 31

8)

Title: CO adsorption on metal surfaces: A hybrid functional study with plane-wave basis set
Author(s): Stroppa A., Termentzidis K., Paier J., Kresse G., Hafner J.
Source: Physical Review B – Condensed Matter and Materials Physics – Volume: 76 – Issue: 19 – Anno: 2007
DOI: 10.1103/PhysRevB.76.195440
Citations: 120

2006

7)

Title: Structural and magnetic properties of Mn-doped GaAs(1 1 0) surface
Author(s): Stroppa A., Duan X., Peressi M.
Source: Materials Science and Engineering B: Solid-State Materials for Advanced Technology – Volume: 126 – Issue: 2-3 – Anno: 2006
DOI: 10.1016/j.mseb.2005.09.033
Citations: 9

6)

Title: Structural, electronic and magnetic properties of Mn-doped GaAs(110) surface
Author(s): Stroppa A.
Source: Nuovo Cimento della Societa Italiana di Fisica C – Volume: 29 – Issue: 3 – Anno: 2006
DOI:
Citations: 1

5)

Title: Non-collinear magnetic states of Mn5Ge3 compound
Author(s): Stroppa A., Peressi M.
Source: Materials Science in Semiconductor Processing – Volume: 9 – Issue: 4-5 SPEC. ISS. – Anno: 2006
DOI: 10.1016/j.mssp.2006.08.057
Citations: 8

2005

4)

Title: Structural properties and stability of defected ZnSe/GaAs(0 0 1) interfaces
Author(s): Stroppa A., Peressi M.
Source: Computational Materials Science – Volume: 33 – Issue: 1-3 – Anno: 2005
DOI: 10.1016/j.commatsci.2004.12.049
Citations: 2

3)

Title: Composition and strain dependence of band offsets at metamorphic Inx Ga1-x As Iny Al1-y As heterostructures
Author(s): Stroppa A., Peressi M.
Source: Physical Review B – Condensed Matter and Materials Physics – Volume: 71 – Issue: 20 – Anno: 2005
DOI: 10.1103/PhysRevB.71.205303
Citations: 26

2)

Title: ZnSe GaAs(001) heterostructures with defected interfaces: Structural, thermodynamic, and electronic properties
Author(s): Stroppa A., Peressi M.
Source: Physical Review B – Condensed Matter and Materials Physics – Volume: 72 – Issue: 24 – Anno: 2005
DOI: 10.1103/PhysRevB.72.245304
Citations: 13

2003

1)

Title: Electronic structure and ferromagnetism of Mn-doped group-IV semiconductors
Author(s): Stroppa A., Picozzi S., Continenza A., Freeman A.
Source: Physical Review B – Condensed Matter and Materials Physics – Volume: 68 – Issue: 15 – Anno: 2003
DOI: 10.1103/PhysRevB.68.155203
Citations: 184

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