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1

On the Lamellar Compounds CuBiP 2 Se 6 , AgBiP 2 Se 6 and AgBiP 2 S 6 . Antiferroelectric Phase Transitions Due to Cooperative Cu + and Bi 3+ Ion Motion

Gave, Matthew A., Bilc, Daniel, Mahanti, S. D., Breshears, Jean D., Kanatzidis, Mercouri G.

Journal:

Inorganic Chemistry

Année:

2005

Langue:

english

Fichier:

PDF, 674 KB

english, 2005

2

Gallium Flux Synthesis of Tb3−xC2Si8(B12)3: A Novel Quaternary Boron-Rich Phase Containing B12 Icosahedra

James R. Salvador, Daniel Bilc, S. D. Mahanti, Mercouri G. Kanatzidis

Journal:

Angewandte Chemie

Année:

2002

Langue:

english

Fichier:

PDF, 117 KB

english, 2002

3

Gallium Flux Synthesis of Tb3−xC2Si8(B12)3: A Novel Quaternary Boron-Rich Phase Containing B12 Icosahedra

James R. Salvador, Daniel Bilc, S. D. Mahanti, Mercouri G. Kanatzidis

Journal:

Angewandte Chemie International Edition

Année:

2002

Langue:

english

Fichier:

PDF, 117 KB

english, 2002

4

Stabilization of β-SiB3 from Liquid Ga: A Boron-Rich Binary Semiconductor Resistant to High-Temperature Air Oxidation

James R. Salvador, Daniel Bilc, S. D. Mahanti, Mercouri G. Kanatzidis

Journal:

Angewandte Chemie

Année:

2003

Langue:

english

Fichier:

PDF, 152 KB

english, 2003

5

Stabilization of β-SiB3 from Liquid Ga: A Boron-Rich Binary Semiconductor Resistant to High-Temperature Air Oxidation

James R. Salvador, Daniel Bilc, S. D. Mahanti, Mercouri G. Kanatzidis

Journal:

Angewandte Chemie International Edition

Année:

2003

Langue:

english

Fichier:

PDF, 152 KB

english, 2003

6

Intermetallics as Zintl Phases: Yb2Ga4Ge6 and RE3Ga4Ge6 (RE=Yb, Eu): Structural Response of a [Ga4Ge6]4− Framework to Reduction by Two Electrons

Marina A. Zhuravleva, James Salvador, Daniel Bilc, Subhendra D. Mahanti, John Ireland, Carl R. Kannewurf, Mercouri G. Kanatzidis

Journal:

Chemistry - A European Journal

Année:

2004

Langue:

english

Fichier:

PDF, 341 KB

english, 2004

7

ChemInform Abstract: Yb9Zn4Bi9: Extension of the Zintl Concept to the Mixed-Valent Spectator Cations.

Sung-Jin Kim, Jim Salvador, Daniel Bilc, S. D. Mahanti, Mercouri G. Kanatzidis

Journal:

Année:

2002

Fichier:

PDF, 34 KB

2002

8

ChemInform Abstract: Gallium Flux Synthesis of Tb3-xC2Si8(B12)3: A Novel Quaternary Boron-Rich Phase Containing B12 Icosahedra.

James R. Salvador, Daniel Bilc, S. D. Mahanti, Mercouri G. Kanatzidis

Journal:

Année:

2002

Fichier:

PDF, 36 KB

2002

9

Single Crystal X-Ray Structure Investigation and Electronic Structure Studies of La-Deficient Nickel Stannide La4.87Ni12Sn24 Grown from Sn Flux.

Marina A. Zhuravleva, Daniel Bilc, S.D. Mahanti, Mercouri G. Kanatzidis

Journal:

Année:

2003

Fichier:

PDF, 74 KB

2003

10

Stabilization of β-SiB3 from Liquid Ga: A Boron-Rich Binary Semiconductor Resistant to High-Temperature Air Oxidation.

James R. Salvador, Daniel Bilc, S. D. Mahanti, Mercouri G. Kanatzidis

Journal:

Année:

2003

Langue:

english

Fichier:

PDF, 69 KB

english, 2003

11

Impressive Structural Diversity and Polymorphism in the Modular Compounds ABi3Q5 (A: Rb, Cs; Q: S, Se Te).

Lykourgos Iordanidis, Daniel Bilc, Subhendra D. Mahanti, Mercouri G. Kanatzidis

Journal:

Année:

2004

Fichier:

PDF, 100 KB

2004

12

Ln2MAl6Si4 (Ln: Gd, Tb, Dy; M: Au, Pt): Layered Quaternary Intermetallics Featuring CaAl2Si2-Type and YNiAl4Ge2-Type Slabs Grown from Aluminum Flux.

Susan E. Latturner, Daniel Bilc, S. D. Mahanti, Mercouri G. Kanatzidis

Journal:

Année:

2004

Langue:

english

Fichier:

PDF, 63 KB

english, 2004

13

Yb8Ge3Sb5, a Metallic Mixed-Valent Zintl Phase Containing the Polymeric 1∞[Ge4-3] Anions.

James R. Salvador, Daniel Bilc, S. D. Mahanti, Tim Hogan, Fu Guo, Mercouri G. Kanatzidis

Journal:

Année:

2004

Fichier:

PDF, 61 KB

2004

14

V2Al5Ge5: First Ternary Intermetallic in the V—Al—Ge System Accessible in Liquid Aluminum.

Xiuni Wu, Daniel Bilc, Subhendra D. Mahanti, Mercouri G. Kanatzidis

Journal:

Année:

2004

Fichier:

PDF, 19 KB

2004

15

Tb4FeGe8 Grown in Liquid Gallium: trans-cis Chains from the Distortion of a Planar Ge Square Net.

Marina A. Zhuravleva, Daniel Bilc, Robert J. Pcionek, S. D. Mahanti, Mercouri G. Kanatzidis

Journal:

Année:

2005

Fichier:

PDF, 10 KB

2005

16

Crystal Growth, Thermoelectric Properties, and Electronic Structure of AgBi3S5 and AgSbxBi3-xS5 (x = 0.3).

Jun-Ho Kim, Duck-Young Chung, Daniel Bilc, Sim Loo, Jarrod Short, Subhendra D. Mahanti, Tim Hogan, Mercouri G. Kanatzidis

Journal:

Année:

2005

Fichier:

PDF, 9 KB

2005

17

On the Lamellar Compounds CuBiP2Se6, AgBiP2Se6 and AgBiP2S6. Antiferroelectric Phase Transitions Due to Cooperative Cu+ and Bi3+ Ion Motion.

Matthew A. Gave, Daniel Bilc, S. D. Mahanti, Jean D. Breshears, Mercouri G. Kanatzidis

Journal:

Année:

2005

Langue:

english

Fichier:

PDF, 11 KB

english, 2005

18

Intermetallic Compounds with Near Zintl Phase Behavior: Ln2Zn3Ge6 (Ln: La, Ce, Pr, Nd) Grown from Liquid Indium.

James R. Salvador, Daniel Bilc, Jeffrey R. Gour, Subhendra D. Mahanti, Mercouri G. Kanatzidis

Journal:

Année:

2006

Fichier:

PDF, 10 KB

2006

19

Single Crystal X-ray Structure Investigation and Electronic Structure Studies of La-Deficient Nickel Stannide La4.87Ni12Sn24 Grown from Sn Flux

Marina A. Zhuravleva, Daniel Bilc, S. D. Mahanti, Mercouri G. Kanatzidis

Journal:

Zeitschrift für anorganische und allgemeine Chemie

Année:

2003

Fichier:

PDF, 302 KB

2003

20

R 3 Au 6+ x Al 26 T (R = Ca, Sr, Eu, Yb; T = Early Transition Metal): a Large Family of Compounds with a Stuffed BaHg 11 Structure Type Grown from Aluminum Flux

Latturner, Susan E., Bilc, Daniel, Mahanti, S. D., Kanatzidis, Mercouri G.

Journal:

Inorganic Chemistry

Année:

2009

Langue:

english

Fichier:

PDF, 2.92 MB

english, 2009

21

superlattices

García-Fernández, Pablo, Verissimo-Alves, Marcos, Bilc, Daniel I., Ghosez, Philippe, Junquera, Javier

Journal:

Physical Review B

Année:

2012

Langue:

english

Fichier:

PDF, 1.30 MB

english, 2012

22

VAl: The role of defects and disorder

Bilc, Daniel I., Ghosez, Philippe

Journal:

Physical Review B

Année:

2011

Langue:

english

Fichier:

PDF, 822 KB

english, 2011

23

First-principles calculations of the structural and dynamical properties of ferroelectric YMnO

Prikockytė, Alina, Bilc, Daniel, Hermet, Patrick, Dubourdieu, Catherine, Ghosez, Philippe

Journal:

Physical Review B

Année:

2011

Langue:

english

Fichier:

PDF, 234 KB

english, 2011

24

Interface

Delugas, Pietro, Filippetti, Alessio, Fiorentini, Vincenzo, Bilc, Daniel I., Fontaine, Denis, Ghosez, Philippe

Journal:

Physical Review Letters

Année:

2011

Langue:

english

Fichier:

PDF, 1002 KB

english, 2011

25

: The Role of Ag-Sb Microstructures

Bilc, Daniel, Mahanti, S. D., Quarez, Eric, Hsu, Kuei-Fang, Pcionek, Robert, Kanatzidis, M. G.

Journal:

Physical Review Letters

Année:

2004

Langue:

english

Fichier:

PDF, 373 KB

english, 2004

26

Electroresistance Effect in Ferroelectric Tunnel Junctions with Symmetric Electrodes

Bilc, Daniel I., Novaes, Frederico D., Íñiguez, Jorge, Ordejón, Pablo, Ghosez, Philippe

Journal:

Année:

2012

Langue:

english

Fichier:

PDF, 1.62 MB

english, 2012

27

RE 2 MAl 6 Si 4 (RE = Gd, Tb, Dy; M = Au, Pt): Layered Quaternary Intermetallics Featuring CaAl 2 Si 2 -Type and YNiAl 4 Ge 2 -Type Slabs Grown from Aluminum Flux

Latturner, Susan E., Bilc, Daniel, Mahanti, S. D., Kanatzidis, Mercouri G.

Journal:

Inorganic Chemistry

Année:

2003

Langue:

english

Fichier:

PDF, 288 KB

english, 2003

28

Impressive Structural Diversity and Polymorphism in the Modular Compounds ABi 3 Q 5 (A = Rb, Cs; Q = S, Se, Te)

Iordanidis, Lykourgos, Bilc, Daniel, Mahanti, Subhendra D., Kanatzidis, Mercouri G.

Journal:

Journal of the American Chemical Society

Année:

2003

Langue:

english

Fichier:

PDF, 347 KB

english, 2003

29

Intermetallic Compounds with Near Zintl Phase Behavior: RE 2 Zn 3 Ge 6 (RE = La, Ce, Pr, Nd) Grown from Liquid Indium

Salvador, James R., Bilc, Daniel, Gour, Jeffrey R., Mahanti, Subhendra D., Kanatzidis, Mercouri G.

Journal:

Inorganic Chemistry

Année:

2005

Langue:

english

Fichier:

PDF, 347 KB

english, 2005

30

Yb 8 Ge 3 Sb 5 , a Metallic Mixed-Valent Zintl Phase Containing the Polymeric 1∞ [Ge 34- ] Anions

Salvador, James R., Bilc, Daniel, Mahanti, S. D., Hogan, Tim, Guo, Fu, Kanatzidis, Mercouri G.

Journal:

Journal of the American Chemical Society

Année:

2004

Langue:

english

Fichier:

PDF, 86 KB

english, 2004

31

Superlattices

Verissimo-Alves, Marcos, García-Fernández, Pablo, Bilc, Daniel I., Ghosez, Philippe, Junquera, Javier

Journal:

Physical Review Letters

Année:

2012

Langue:

english

Fichier:

PDF, 967 KB

english, 2012

32

Tb 4 FeGe 8 Grown in Liquid Gallium: Trans − Cis Chains from the Distortion of a Planar Ge Square Net

Zhuravleva, Marina A., Bilc, Daniel, Pcionek, Robert J., Mahanti, S. D., Kanatzidis, Mercouri G.

Journal:

Inorganic Chemistry

Année:

2005

Langue:

english

Fichier:

PDF, 696 KB

english, 2005

33

Yb 9 Zn 4 Bi 9 : Extension of the Zintl Concept to the Mixed-Valent Spectator Cations †

Kim, Sung-Jin, Salvador, Jim, Bilc, Daniel, Mahanti, S. D., Kanatzidis, Mercouri G.

Journal:

Journal of the American Chemical Society

Année:

2001

Langue:

english

Fichier:

PDF, 47 KB

english, 2001

34

V2Al5Ge5: first ternary intermetallic in the V?Al?Ge system accessible in liquid aluminiumElectronic supplementary information (ESI) available: structure of V2Al5Ge5. See http://www.rsc.org/suppdata/cc/b4/b404035j/

Wu, Xiuni, Bilc, Daniel, Mahanti, Subhendra D., Kanatzidis, Mercouri G.

Journal:

Chemical Communications

Année:

2004

Langue:

english

Fichier:

PDF, 424 KB

english, 2004

35

Crystal Growth, Thermoelectric Properties, and Electronic Structure of AgBi 3 S 5 and AgSb x Bi 3- x S 5 ( x = 0.3)

Kim, Jun-Ho, Chung, Duck-Young, Bilc, Daniel, Loo, Sim, Short, Jarrod, Mahanti, Subhendra D., Hogan, Tim, Kanatzidis, Mercouri G.

Journal:

Chemistry of Materials

Année:

2005

Langue:

english

Fichier:

PDF, 377 KB

english, 2005

36

Ab initio Studies of Electronic Structure of Defects in PbTe

Ahmad, Salameh, Bilc, Daniel, Mahanti, S.D., Kanatzidis, M.G.

Journal:

MRS Proceedings

Année:

2005

Langue:

english

Fichier:

PDF, 148 KB

english, 2005

37

Electronic Structure Of (AgSb)xPbn-2xTen

Bilc, Daniel I, Mahanti, S.D., Kanatzidis, M.G.

Journal:

MRS Proceedings

Année:

2003

Langue:

english

Fichier:

PDF, 460 KB

english, 2003

38

Synthesis and Thermoelectric Properties of AgBi3S5

Kim, Jun-Ho, Bilc, Daniel, Loo, Sim, Short, Jarrod, Mahanti, S. D., Hogan, Tim, Kanatzidis, Mercouri G.

Journal:

MRS Proceedings

Année:

2003

Langue:

english

Fichier:

PDF, 507 KB

english, 2003

39

Effect of K/Bi ordering on the electronic structure of K2Bi8Se13

Bilc, Daniel I, Larson, Paul, Mahanti, S.D., Kanatzidis, M.G.

Journal:

MRS Proceedings

Année:

2003

Langue:

english

Fichier:

PDF, 1.01 MB

english, 2003

40

Structure and Properties of the Semiconductors Tl2SnAs2Q6 (Q = S, Se)

Iyer, Ratnasabapathy G., Bilc, Daniel, Mahanti, S. D., Kanatzidis, Mercouri G.

Journal:

MRS Proceedings

Année:

2004

Langue:

english

Fichier:

PDF, 312 KB

english, 2004

41

Theoretical Study of Electronic Structures of Bi2Te3/Sb2Te3 Superlattices

Li, Hong, Bilc, Daniel, Mahanti, S. D.

Journal:

MRS Proceedings

Année:

2003

Langue:

english

Fichier:

PDF, 425 KB

english, 2003

42

Low-Dimensional Transport and Large Thermoelectric Power Factors in Bulk Semiconductors by Band Engineering of Highly Directional Electronic States

Bilc, Daniel I., Hautier, Geoffroy, Waroquiers, David, Rignanese, Gian-Marco, Ghosez, Philippe

Journal:

Physical Review Letters

Année:

2015

Langue:

english

Fichier:

PDF, 3.84 MB

english, 2015

43

Syntheses, crystal Structures and electronic Structures of new metal chalcoiodides Bi2CuSe3I and Bi6Cu3S10I

Liang, I-Chu, Bilc, Daniel I., Manoli, Maria, Chang, Wei-Yun, Lin, Wen-Fu, Kyratsi, Theodora, Hsu, Kuei-Fang

Journal:

Journal of Solid State Chemistry

Année:

2015

Langue:

english

Fichier:

PDF, 2.36 MB

english, 2015

44

First-Principles Study of the Thermoelectric Properties of SrRuO 3

Miao, Naihua, Xu, Bin, Bristowe, Nicholas C., Bilc, Daniel I., Verstraete, Matthieu J., Ghosez, Philippe

Journal:

The Journal of Physical Chemistry C

Année:

2016

Langue:

english

Fichier:

PDF, 1.69 MB

english, 2016

45

Electronic Structure of K2Bi8Se13

Bilc, Daniel I, Larson, Paul, Mahanti, S.D., Kanatzidis, M.G.

Journal:

MRS Proceedings

Année:

2001

Langue:

english

Fichier:

PDF, 496 KB

english, 2001

46

ChemInform Abstract: Syntheses, Crystal Structures and Electronic Structures of New Metal Chalcoiodides Bi 2 CuSe 3 I and Bi 6 Cu 3 S 10 I.

Liang, I-Chu, Bilc, Daniel I., Manoli, Maria, Chang, Wei-Yun, Lin, Wen-Fu, Kyratsi, Theodora, Hsu, Kuei-Fang

Journal:

Année:

2016

Langue:

english

Fichier:

PDF, 25 KB

english, 2016

47

First-Principles Modeling of SrTiO 3 Based Oxides for Thermoelectric Applications

Bilc, Daniel I., Floare, Calin G., Zarbo, Liviu P., Garabagiu, Sorina, Lemal, Sebastien, Ghosez, Philippe

Journal:

The Journal of Physical Chemistry C

Année:

2016

Langue:

english

Fichier:

PDF, 2.78 MB

english, 2016

48

from hybrid functional first-principles calculations

Lemal, Sébastien, Varignon, Julien, Bilc, Daniel I., Ghosez, Philippe

Journal:

Physical Review B

Année:

2017

Langue:

english

Fichier:

PDF, 2.22 MB

english, 2017

49

Synthesis, Crystal Structure and Thermoelectric Property of a New Metal Telluride Ba 3 Ag 3 InTe 6

Lee, Min-Yu, Bilc, Daniel, Symeou, Elli, Lin, Yi-Chang, Liang, I-Chu, Kyratsi, Theodora, Hsu, Kuei-Fang

Journal:

Inorganic Chemistry Frontiers

Année:

2017

Langue:

english

Fichier:

PDF, 985 KB

english, 2017

50

full-Heusler thermoelectric compounds

Lemal, Sébastien, Ricci, Fabio, Bilc, Daniel I., Verstraete, Matthieu J., Ghosez, Philippe

Journal:

Physical Review B

Année:

2019

Langue:

english

Fichier:

PDF, 4.19 MB

english, 2019