eTran2D

Electronic Transport Database for 2D Materials (eTran2D)

Chemical Formula	Composition  in primitive cell	Links for structure	Space group	Bandgap  (HSE; eV)	Electron effective mass	Hole effective mass	Intrinsic Electron Mobility (cm2/(Vs))	Intrinsic  Hole   Mobility (cm2/(Vs))	Drude scattering rate (ps-1)	Neutral Defect-limited mobility: electron/hole (cm2/(Vs))	Drude scattering rate (ps-1)	Charged Defect-limited mobility (cm2/(Vs))	Drude scattering rate (ps-1)	Saturation Velocity
BSb	BSb	C2DB	P-6m2	0.551	0.074	0.079	5167	6935	3.6/2.8
ZrI	ZrI2	C2DB	P-6m2	1.038		0.334		5138	N.A./0.8
HfI	HfI2	C2DB	P-6m2	1.022		0.276		4782	N.A./1.2
AlBi	AlBi		P3m1	0.926	0.05	0.07	2835	3446	6.8/7.4
SnH	Sn2H2	C2DB	P-3m1	0.685	0.043	0.062	3227	2063	11.7/11.0
GeH	Ge2H2	C2DB	P-3m1	1.488	0.051	0.086	2791	995.1	11.1/N.A.
BAs	BAs	C2DB	P-6m2	1.188	0.158	0.153	1524	2439	6.7/4.4
InN	InN	C2DB	P-6m2	1.565	0.078		2106		9.3/N.A.
Sb	Sb2	C2DB, MC2D	P-3m1	1.406	0.133	0.1	49.34	2044	N.A./6.7
AlGeTe	Al2Ge2Te2		P-3m1	1.426	0.07		2023		13.9/N.A.
GaGeTe	Ga2Ge2Te2	C2DB, MC2D	P-3m1	1.165	0.053		1996		15.1/N.A.
BP	BP	C2DB	P-6m2	1.362	0.19	0.179	1151	1921	7.2/4.7
GaSb	GaSb		P3m1	1.261	0.113	0.09	1809	1080	14.7/16.2
As	As2	C2DB, MC2D	P-3m1	2.019	0.271	0.13	55.7	1216	N.A./7.9
InAs	InAs	C2DB	P3m1	1.234	0.086	0.098	1001	372.2	25.6/N.A.
WS2	WS2	C2DB, MC2D	P-6m2	2.055	0.467	0.336	196.6	919		217/213	20/21	150/N.A.	30/N.A.
ZrBrI	ZrBrI	C2DB	P3m1	1.174		0.415		904.5
TiI2	TiI2	C2DB	P-6m2	0.828		0.498		884
GaAs	GaAs	C2DB	P3m1	1.719	0.12	0.117	812.1	16.17
HfBrI	HfBrI	C2DB	P3m1	1.157		0.344		805.4
ZrBr2	ZrBr2	C2DB	P-6m2	1.276		0.411		766
FSi	F2Si2	C2DB	P-3m1	1.492	0.176	0.195	760.2	75.53
TiBr2	TiBr2	C2DB	P-6m2	1.166		0.587		752.7
HfBr2	HfBr2	C2DB	P-6m2	1.226		0.35		588
IrIS	Ir2I2S2	C2DB	Pmmn	0.998		0.109		578/23.87
WSe2	WSe2	C2DB, MC2D	P-6m2	1.73		0.352		578		68/124	52/35	160/N.A.	22/N.A.
BBi	BBi		P3m1	0.983	0.15	0.274	523	547.9
InP	InP	C2DB	P3m1	1.774	0.101		542.3
WSSe	WSSe	C2DB	P3m1	1.911		0.369		515
GaN	GaN	C2DB	P-6m2	3.09	0.205		510
TlTe	Tl2Te2	C2DB	P-3m1	0.621	0.078		494.5
IrBrS	Ir2Br2S2	C2DB	Pmmn	1.178		0.139		487.5/23.46
HfClI	HfClI	C2DB	P3m1	1.295		0.413		481.8
P	P4	C2DB, MC2D	Pmna	1.511	0.139	0.131	248.3/32.98	480.3/23.64
ZrBrCl	ZrBrCl	C2DB	P3m1	1.397		0.435		476.4
TiBrI	TiBrI	C2DB	P3m1	1.037		0.587		451.2
AlGeSe	Al2Ge2Se2		P-3m1	1.372	0.15		421
TlTe	Tl2Te2	C2DB	P-6m2	0.681	0.085		412.6
GaP	GaP	C2DB	P3m1	2.369	0.109		407.5
SiCl	Si2Cl2		P-3m1	2.084	0.182	0.17	198	406.1
SiBr	Si2Br2		P-3m1	1.93	0.17		406
IrClS	Ir2Cl2S2	C2DB	Pmmn	1.201		0.124		400.6/22.75
ZrCl2	ZrCl2	C2DB, MC2D	P-6m2	1.5		0.432		370.3
WTe2	WTe2	C2DB, MC2D	P-6m2	1.141	0.353	0.289	138.9	348.6
Ti2CO2	Ti2CO2	C2DB	P-3m1	1.295		0.145		346.6
ZrClI	ZrClI	C2DB	P3m1	1.317		0.485		337.4
PtTe2	PtTe2	C2DB, MC2D	P-3m1	0.599		0.37		337.1
IrBrO	Ir2Br2O2	C2DB	Pmmn	1.342		0.269		309.3/22.3
ZnTe	Zn2Te2	C2DB	P-3m1	1.294	0.09		308
HfCl2	HfCl2	C2DB	P-6m2	1.471		0.375		277.2
GaSiSe	Ga2Si2Se2		P-3m1	2.199	0.16		260
AlO	Al2O2	C2DB	P-6m2	1.849		0.395		258
Sb2SeTe2	Sb2SeTe2	C2DB, MC2D	P-3m1	0.926	0.086		251.7
IrClO	Ir2Cl2O2	C2DB	Pmmn	1.566		0.279		250/24.57
CdTe	Cd2Te2	C2DB	P-3m1	1.331	0.096		248.1/224.7
AuTe	Au2Te2	C2DB	Pm	1.067	0.243	0.444	50.77/9.1	248/235.5
HfBrCl	HfBrCl	C2DB	P3m1	1.361		0.376		239.5
SnTe	Sn2Te2	C2DB, MC2D	Pmn2_1	0.897	0.052	0.076	120.3/101.4	237.6/135.2
GeTe	Ge2Te2	C2DB, MC2D	Pmn2_1	1.103	0.056	0.056	47.25	233.6/134.5
WO2	WO2	C2DB	P-6m2	2.097	0.347		232.4
As	As4	C2DB, MC2D	Pmna	1.324	0.216	0.097	70.74/17.28	218.9/87.8
Al2MgSe4	Al2MgSe4	C2DB, MC2D	P-3m1	1.984	0.172		217
Sb2Te3	Sb2Te3	C2DB, MC2D	P-3m1	0.699	0.097		212.5
WSeTe	WSeTe	C2DB	P3m1	1.493		0.404		211.4
MoO2	MoO2	C2DB	P-6m2	1.651	0.419		200
GaSe	Ga2Se2	C2DB, MC2D	P-6m2	2.506	0.152		198.7
InTe	In2Te2	C2DB	P-3m1	1.708	0.132		193.7
Hf2CO2	Hf2CO2	C2DB	P-3m1	1.681		0.246		190
InO	In2O2	C2DB	P-6m2	0.92	0.302		187.9
InTe	In2Te2	C2DB	P-6m2	1.812	0.137		183.3
GaSiS	Ga2Si2S2		P-3m1	1.868	0.22		178
GaO	Ga2O2	C2DB	P-6m2	2.472	0.318		176
GaSe	Ga2Se2	C2DB	P-3m1	2.371	0.147		172.4/156.4
GeTe	GeTe	C2DB, MC2D	P3m1	1.994		0.163		171.6
ZnSe	Zn2Se2	C2DB	P-3m1	2.634	0.138		170/153.7
PbTe	Pb2Te2	C2DB	Pmn2_1	0.878	0.04	0.039	169.8/88.23	160.8/84.3
TiBrN	Ti2Br2N2	C2DB, MC2D	Pmmn	2.084		0.15		155.5/89.39
OsS2	Os2S4	C2DB	P2_1/m	1.387	0.426		149.5
MoSe2	MoSe2	C2DB, MC2D	P-6m2	1.804		0.584		146.9		45/42	66/62	98/N.A.	30/N.A.
PbTe	PbTe	C2DB, MC2D	P3m1	1.5	0.127		146.6
CdS	Cd2S2	C2DB	P-3m1	2.696	0.184		138.3
ZrTe	Zr2Te2	C2DB	P-6m2	0.652	0.344		137
MoS2	MoS2	C2DB, MC2D	P-6m2	2.087	0.427	0.53	135.5	68.9	30.3/N.A.	132/59	26/35	83/N.A.	42/N.A.
Zr2CO2	Zr2CO2	C2DB	P-3m1	1.729		0.256		117.9
PdSe2	PdSe2	C2DB	P-3m1	0.906	0.264		103.8
Sb2Se3	Sb2Se3	C2DB	P-3m1	1.021	0.121		87.55
MoTe2	MoTe2	C2DB, MC2D	P-6m2	1.37		0.59		81.3
MoCl3	Mo2Cl6	C2DB	P-62m	0.815	0.413	0.457	73.68	78.04
S2Si	S2Si	C2DB	P-3m1	2.216	0.339	0.203	67.1	30.74
Se2Si	Se2Si	C2DB	P-3m1	1.072	0.312		55.26
AgTe	Ag2Te2	C2DB	Pm	0.756	0.275		49.96/4.676

Notes:
(1) The transport properties are calculated for room temperature.
(2) The intrinsic mobility is the mobility in a perfect material, with Fermi level at the center of the band gap.
(3) The intrinsic mobility data is taken from PRL 2023, which uses the state-of-the-art first-principles methods to calculate the electron-phonon coupling (including 2D quadrupole scattering (PRB 2022)) and solve the Boltzmann transport equation.
(4) Most of the band gaps and effective masses are taken from other database with links provided.
(5) Drude scattering rate shows “electron/hole” scattering rates taken from PRL 2023.