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Computational Physics and Functional material design

Laboratory of Computational Physics and Functional Material Design

Research  

 

Our laboratory mainly focuses on (1) development of first-principles method and (2) quantum functional materials design.

(1) Development of first-principles method         

a.  Evaluations of Z2 and Chern topological invariants  

b.  Calculations of Berry phase effects and various quantum phenomena associated with spin-orbital coupling, i.e., anomalous Hall effect, spin Hall effect, anomalous Nernst Hall Effect, orbital Hall effect, planar Hall effect, thermoelectricity, magneto-optic effect, transport, exciton, plasmon, etc.

c.  Simulations of photovoltaic and photocatalytic processes, etc. 

(2)  Design of quantum functional materials

a.  3D and 2D topological insulators

b.  Superconductors, especially topological superconductors 

c.  2D novel layered materials, especially spin-orbit materials

d. Energy materials: thermoelectric materials, materials for lithium ion batteries, photovoltaic materials, photocatalytic materials, etc. 

Members:

 

Group Leader


 

Prof. Yugui Yao

Changjiang Distinguished Professor

China NSF for Distinguished Young Scholar

Email: ygyao@bit.edu.cn

Tel: 68918672

Other Members:

Wei Guo

Associate Professor

Email: weiguo7@bit.edu.cn

Tel: 68912632

Gui-Bin Liu

Associate Professor Email:

Email: gbliu@bit.edu.cn

Tel: 68914027

Wanxiang Feng

Associate Professor

Email: wxfeng@bit.edu.cn

Tel: 68914027

http://physics.bit.edu.cn/images/content/2014-10/20141017161947095435.jpg

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Wenyong Su

Associate Professor

Email: suwy@bit.edu.cn

Tel: 68914027

Cheng-Cheng Liu

Assistant Professor

Email: ccliu@bit.edu.cn

Tel: 68912632

Junfeng Han

Assistant Professor

Email: pkuhjf@bit.edu.cn

Tel: 68912632

Mactinosh HD:Users:wxfeng:Desktop:20150906.jpg.pdf

http://physics.bit.edu.cn/images/content/2014-10/20141017162656891122.jpg

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Publications

 

Our laboratory has published more than 100 peer-reviewed papers, including 17 Phys. Rev. Lett., 1 Nat. Mater., 1 Chem. Soc. Rev., 2 Nano Lett., and 2 ACS Nano. Total citations exceed 4000.

 

Representative papers:

(Citations are from Web of Science, updated on 9 Oct. 2015)

 

1.  Phys. Rev. Lett 92, 037204 (2004),      cited 226;

2.  Phys. Rev. B 75, 041401(R) (2007),     cited 323;

3.  Phys. Rev. Lett. 105, 096404 (2010),    cited 118;

4.  Phys. Rev. B 82, 161414 (2010),        cited 139;

5.  Phys. Rev. Lett. 107, 076802 (2011),    cited 456;

6.  Phys. Rev. B 84, 195430 (2011),        cited 221;

7.  Phys. Rev. B 84, 195444 (2011),        cited 67;

8.  Phys. Rev. Lett. 106, 016402 (2011),    cited 74;

9.  Phys. Rev. Lett. 109, 056804 (2012),    cited 243;

10.  Nano letters 12, 3507 (2012),          cited 302;

11.  Phys. Rev. Lett. 109, 266405 (2012),    cited 38;

12.  Nature Materials 12, 792 (2013),       cited 104;

13.  Phys. Rev. Lett. 111, 066804 (2013),    cited 24;

14.  Nano Letters 14, 4767 (2014),         cited 11;

15.  NPG Asia Materials 6, e147 (2014),     cited 16;

16.  Phys. Rev. Lett. 112, 106802 (2014),    cited 33;

 

Full list of peer-reviewed papers:

http://www.researcherid.com/rid/A-8411-2012

 

Release date:2015-10-16